smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CSc1nc(Cl)nc(N2CCN3CC[NH2+]C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164399337 718835313 /nfs/dbraw/zinc/83/53/13/718835313.db2.gz TWACSFRWGYGOFO-MRVPVSSYSA-N 1 0 344.828 0.854 20 5 ECBDRO Cc1ccn(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)n1 ZINC001020601390 751885881 /nfs/dbraw/zinc/88/58/81/751885881.db2.gz XCXJBRJOZINHRE-HAQNSBGRSA-N 1 0 347.379 0.270 20 5 ECBDRO Cc1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)s1 ZINC000983648484 744991945 /nfs/dbraw/zinc/99/19/45/744991945.db2.gz JYWCOUNATGKHBN-GWOFURMSSA-N 1 0 325.394 0.496 20 5 ECBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2nccn2C(F)F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983650931 744998242 /nfs/dbraw/zinc/99/82/42/744998242.db2.gz YQHBYCFTPKMODP-GWOFURMSSA-N 1 0 343.334 0.928 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C[C@H]1C[C@H](NC(=O)Cc2cnoc2)C1 ZINC000984641875 746769552 /nfs/dbraw/zinc/76/95/52/746769552.db2.gz CZCLFIVLXGMCSM-UMSPYCQHSA-N 1 0 348.363 0.543 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)c2cccnn2)C1 ZINC001020796736 752167486 /nfs/dbraw/zinc/16/74/86/752167486.db2.gz YYECOTGUGRKOIV-MGCOHNPYSA-N 1 0 331.336 0.169 20 5 ECBDRO O=C(Cn1ncnn1)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001002817295 747826429 /nfs/dbraw/zinc/82/64/29/747826429.db2.gz FUMALUPGMKKQBI-UHFFFAOYSA-N 1 0 345.363 0.362 20 5 ECBDRO Cc1nn(C)cc1C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985430268 747990989 /nfs/dbraw/zinc/99/09/89/747990989.db2.gz DAZCJXPRNWXSFP-HUUCEWRRSA-N 1 0 335.408 0.817 20 5 ECBDRO O=C(Cn1cncn1)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001004100943 749211497 /nfs/dbraw/zinc/21/14/97/749211497.db2.gz QAEGBLPZTOQNEP-UHFFFAOYSA-N 1 0 344.375 0.967 20 5 ECBDRO O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NCCC1=CCCCC1 ZINC001126938691 756792701 /nfs/dbraw/zinc/79/27/01/756792701.db2.gz HAVIPBSFTLNMFE-ZIAGYGMSSA-N 1 0 338.408 0.364 20 5 ECBDRO CCOc1ccccc1OCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126938891 756814549 /nfs/dbraw/zinc/81/45/49/756814549.db2.gz LPGCJOSHHACQFU-CHWSQXEVSA-N 1 0 337.376 0.835 20 5 ECBDRO NC(=O)c1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC000996428454 757653970 /nfs/dbraw/zinc/65/39/70/757653970.db2.gz DUGKKQKNHCVQFM-HUUCEWRRSA-N 1 0 346.387 0.531 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(=O)[nH]2)C1 ZINC001021932754 758078301 /nfs/dbraw/zinc/07/83/01/758078301.db2.gz MZUCEODEYOHKNE-AOOOYVTPSA-N 1 0 346.347 0.480 20 5 ECBDRO Cc1nn(C)cc1C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001050517392 760412886 /nfs/dbraw/zinc/41/28/86/760412886.db2.gz RPJICUVCOKMRHM-HUUCEWRRSA-N 1 0 347.419 0.818 20 5 ECBDRO CCN(CCNc1cc[nH]c(=O)c1[N+](=O)[O-])C(=O)CC[NH+](C)C ZINC001106946961 763589376 /nfs/dbraw/zinc/58/93/76/763589376.db2.gz ZEASOPBAHLBXNH-UHFFFAOYSA-N 1 0 325.369 0.908 20 5 ECBDRO O=C(NCC1C[NH+](Cc2ccc3c(c2)COC3)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031661716 766378393 /nfs/dbraw/zinc/37/83/93/766378393.db2.gz FKSQJSZCJHBQHV-HZPDHXFCSA-N 1 0 331.372 0.930 20 5 ECBDRO O=C(N1CCN(c2ncc([N+](=O)[O-])cc2F)CC1)C12CC[NH+](CC1)C2 ZINC001055861165 770009946 /nfs/dbraw/zinc/00/99/46/770009946.db2.gz RQAKYJMSCAVUFZ-UHFFFAOYSA-N 1 0 349.366 0.873 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)c2ncccc2O)C1 ZINC001020098335 772156524 /nfs/dbraw/zinc/15/65/24/772156524.db2.gz HVEFAHXJEGRBNF-MGCOHNPYSA-N 1 0 346.347 0.480 20 5 ECBDRO CC[N@H+](CCNC(=O)c1ncn(C)n1)Cc1cccc([N+](=O)[O-])c1 ZINC001266388006 835796406 /nfs/dbraw/zinc/79/64/06/835796406.db2.gz OGVPRYDNCIQYMT-UHFFFAOYSA-N 1 0 332.364 0.975 20 5 ECBDRO CCN(C(=O)C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccccc1 ZINC001267371026 837269361 /nfs/dbraw/zinc/26/93/61/837269361.db2.gz HCDBIRCCERVDQJ-HUUCEWRRSA-N 1 0 348.403 0.753 20 5 ECBDRO CCc1ccc(NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001267371772 837271626 /nfs/dbraw/zinc/27/16/26/837271626.db2.gz UJAWXSARJIROPF-HUUCEWRRSA-N 1 0 348.403 0.901 20 5 ECBDRO C[NH2+][C@H]1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000428428459 210260565 /nfs/dbraw/zinc/26/05/65/210260565.db2.gz XHURJPNJBDPVDG-JTQLQIEISA-N 1 0 334.332 0.141 20 5 ECBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1(CCO)CCOCC1 ZINC000355012398 299184252 /nfs/dbraw/zinc/18/42/52/299184252.db2.gz MQTNHPUGCGSKHG-UHFFFAOYSA-N 1 0 325.365 0.620 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)N(C)[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000420446496 209369110 /nfs/dbraw/zinc/36/91/10/209369110.db2.gz IDKKNQCNOMLECB-MRVPVSSYSA-N 1 0 331.350 0.349 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)NC[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000420415326 209362899 /nfs/dbraw/zinc/36/28/99/209362899.db2.gz FXIIOEWYYIMNCG-LLVKDONJSA-N 1 0 343.361 0.397 20 5 ECBDRO C[C@@H]1CN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@H](C)C[NH2+]1 ZINC000420394415 209360445 /nfs/dbraw/zinc/36/04/45/209360445.db2.gz KLUBGIDYZSHJEV-NXEZZACHSA-N 1 0 336.348 0.944 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(CCC[NH3+])CC1 ZINC000420316059 209351820 /nfs/dbraw/zinc/35/18/20/209351820.db2.gz MHFOEXZKDUQEMJ-UHFFFAOYSA-N 1 0 342.421 0.558 20 5 ECBDRO CN1CC[NH2+]C[C@@H]1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000420262283 209346327 /nfs/dbraw/zinc/34/63/27/209346327.db2.gz ANILLQAURPQRMW-CYBMUJFWSA-N 1 0 333.392 0.803 20 5 ECBDRO [NH3+]C1(CNC(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCC1 ZINC000420089562 209302719 /nfs/dbraw/zinc/30/27/19/209302719.db2.gz JWKVVAQOLPHSMI-UHFFFAOYSA-N 1 0 348.359 0.182 20 5 ECBDRO C[C@H](CO)[N@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000131912833 223282830 /nfs/dbraw/zinc/28/28/30/223282830.db2.gz LNQCSSQDGPMOMR-CYBMUJFWSA-N 1 0 336.392 0.556 20 5 ECBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1(O)CC[NH+](C)CC1 ZINC000269753564 201233750 /nfs/dbraw/zinc/23/37/50/201233750.db2.gz HZWPDOVHCFBEDG-UHFFFAOYSA-N 1 0 343.405 0.638 20 5 ECBDRO O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000420003179 209274046 /nfs/dbraw/zinc/27/40/46/209274046.db2.gz SQFBGHIVWNAXBF-AWEZNQCLSA-N 1 0 346.387 0.738 20 5 ECBDRO O=C(NC1CC[NH2+]CC1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000419845937 209222673 /nfs/dbraw/zinc/22/26/73/209222673.db2.gz FWVAQOORIWYLLI-UHFFFAOYSA-N 1 0 332.360 0.348 20 5 ECBDRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000419836089 209217988 /nfs/dbraw/zinc/21/79/88/209217988.db2.gz BHRGOBYXSWKVDK-ZDUSSCGKSA-N 1 0 346.387 0.954 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000419759596 209198420 /nfs/dbraw/zinc/19/84/20/209198420.db2.gz MKCZYTMWDJCKIB-SMDDNHRTSA-N 1 0 348.403 0.963 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000419755837 209197346 /nfs/dbraw/zinc/19/73/46/209197346.db2.gz FJVNINZXGVKYRA-INIZCTEOSA-N 1 0 334.376 0.717 20 5 ECBDRO C[C@@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)[C@@H](C)C[NH2+]1 ZINC000356366624 299381899 /nfs/dbraw/zinc/38/18/99/299381899.db2.gz LIVMYAFTUQFNHI-MNOVXSKESA-N 1 0 348.359 0.529 20 5 ECBDRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)C2)CC1 ZINC000106921019 204219829 /nfs/dbraw/zinc/21/98/29/204219829.db2.gz CIOZYZGLFVRXJD-LBPRGKRZSA-N 1 0 349.391 0.547 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000237190269 204440989 /nfs/dbraw/zinc/44/09/89/204440989.db2.gz OJNOZXVKEKPZMZ-UHFFFAOYSA-N 1 0 329.378 0.976 20 5 ECBDRO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000131155298 205276198 /nfs/dbraw/zinc/27/61/98/205276198.db2.gz NPOUYGHVJSRSQS-QEJZJMRPSA-N 1 0 337.376 0.968 20 5 ECBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266595108 248375186 /nfs/dbraw/zinc/37/51/86/248375186.db2.gz YMQWFHZEZDCGSK-NSHDSACASA-N 1 0 336.348 0.490 20 5 ECBDRO CN1CC[NH2+]C[C@H]1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000449702175 211292862 /nfs/dbraw/zinc/29/28/62/211292862.db2.gz RWIIYEMFGRHGLM-AWEZNQCLSA-N 1 0 347.419 0.828 20 5 ECBDRO COCCO[C@H]1C[C@@H](CO)C[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000447379711 211185801 /nfs/dbraw/zinc/18/58/01/211185801.db2.gz CAOXELJIGNFHKR-OLZOCXBDSA-N 1 0 328.369 0.137 20 5 ECBDRO COc1cc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000447247135 211176713 /nfs/dbraw/zinc/17/67/13/211176713.db2.gz IILYWZHDWXEBPK-UWVGGRQHSA-N 1 0 329.378 0.961 20 5 ECBDRO C[NH2+]C[C@H]1CCN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000178970601 207560499 /nfs/dbraw/zinc/56/04/99/207560499.db2.gz KBPCLZYWIZKIDY-NWDGAFQWSA-N 1 0 334.376 0.781 20 5 ECBDRO COC(=O)[C@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000413502072 208336295 /nfs/dbraw/zinc/33/62/95/208336295.db2.gz PVPHFTYMDYFEKP-SECBINFHSA-N 1 0 339.377 0.845 20 5 ECBDRO O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NC[C@H]1CCC[NH2+]1)OCCO2 ZINC000262736077 285098556 /nfs/dbraw/zinc/09/85/56/285098556.db2.gz GUPDPZJYKUYVJZ-SECBINFHSA-N 1 0 343.361 0.396 20 5 ECBDRO CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000414006562 208385625 /nfs/dbraw/zinc/38/56/25/208385625.db2.gz QIORJXTUOVZSOH-DGCLKSJQSA-N 1 0 334.376 0.924 20 5 ECBDRO Cc1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCN2C)c([N+](=O)[O-])c1 ZINC000420449248 209368606 /nfs/dbraw/zinc/36/86/06/209368606.db2.gz FYDJWDWBJQWDST-LLVKDONJSA-N 1 0 328.394 0.085 20 5 ECBDRO C[N@H+](CCCNC(=O)C1CCC1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000429551951 210322632 /nfs/dbraw/zinc/32/26/32/210322632.db2.gz WFFWZOPXEWFBQG-UHFFFAOYSA-N 1 0 336.392 0.995 20 5 ECBDRO C[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC[NH2+]1 ZINC000429357239 210314842 /nfs/dbraw/zinc/31/48/42/210314842.db2.gz VQQFVVAAOZKJBG-WDEREUQCSA-N 1 0 336.348 0.613 20 5 ECBDRO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NCC[C@@H]1CC[NH2+]C1 ZINC000429106755 210297834 /nfs/dbraw/zinc/29/78/34/210297834.db2.gz MUASHXYELJIFSR-ZDUSSCGKSA-N 1 0 349.391 0.510 20 5 ECBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000429028704 210295078 /nfs/dbraw/zinc/29/50/78/210295078.db2.gz CRQXNRJNAVLYOE-VDERGJSUSA-N 1 0 337.424 0.814 20 5 ECBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418760310 208845339 /nfs/dbraw/zinc/84/53/39/208845339.db2.gz KCPHPCLYZLIEHC-OAHLLOKOSA-N 1 0 333.392 0.566 20 5 ECBDRO C[C@H](NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000419149743 209002273 /nfs/dbraw/zinc/00/22/73/209002273.db2.gz LKOSXDDTYKBZGD-SDDRHHMPSA-N 1 0 332.360 0.450 20 5 ECBDRO COC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000496800908 255131323 /nfs/dbraw/zinc/13/13/23/255131323.db2.gz XZPVHFHVWWRYTL-QMMMGPOBSA-N 1 0 344.349 0.413 20 5 ECBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000186714703 533299578 /nfs/dbraw/zinc/29/95/78/533299578.db2.gz SRFMMHIQFAVZGR-JTNHKYCSSA-N 1 0 334.376 0.827 20 5 ECBDRO CO[C@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H](C[NH3+])C1 ZINC000359048186 299784135 /nfs/dbraw/zinc/78/41/35/299784135.db2.gz VIHNISAOPQOEAU-GJZGRUSLSA-N 1 0 348.403 0.922 20 5 ECBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000245601375 165108942 /nfs/dbraw/zinc/10/89/42/165108942.db2.gz VVWSWNGUJXZPOC-OLZOCXBDSA-N 1 0 325.390 0.963 20 5 ECBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)NCCn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000247647758 165165611 /nfs/dbraw/zinc/16/56/11/165165611.db2.gz VVIXJODOWUFMMT-GXTWGEPZSA-N 1 0 336.396 0.917 20 5 ECBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000261897342 165259351 /nfs/dbraw/zinc/25/93/51/165259351.db2.gz WEQAKAKYWFXJLC-VHSXEESVSA-N 1 0 341.389 0.808 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000262343187 165333423 /nfs/dbraw/zinc/33/34/23/165333423.db2.gz ULHKWKXTPVIUAJ-ZJUUUORDSA-N 1 0 329.378 0.961 20 5 ECBDRO COc1cc(CCNC(=O)C[C@@H](C[NH3+])OC)c([N+](=O)[O-])cc1OC ZINC000262875859 165396710 /nfs/dbraw/zinc/39/67/10/165396710.db2.gz MUYCGTREBFBGRU-NSHDSACASA-N 1 0 341.364 0.635 20 5 ECBDRO Cn1c(Sc2ncc([N+](=O)[O-])c(N)n2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000301298168 296884992 /nfs/dbraw/zinc/88/49/92/296884992.db2.gz STIDNDCTFCLUBJ-SSDOTTSWSA-N 1 0 336.381 0.714 20 5 ECBDRO C[C@@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C[NH2+]1 ZINC000272570934 263352764 /nfs/dbraw/zinc/35/27/64/263352764.db2.gz NAUDPCGDMOWHRY-NEPJUHHUSA-N 1 0 334.376 0.924 20 5 ECBDRO CNC(=O)c1ccc(N2CCO[C@H]3CC[N@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000284556054 264227427 /nfs/dbraw/zinc/22/74/27/264227427.db2.gz MXLPESSMARFMQY-CABCVRRESA-N 1 0 334.376 0.864 20 5 ECBDRO COC(=O)CNC(=O)c1ccc(N[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000286413291 264396093 /nfs/dbraw/zinc/39/60/93/264396093.db2.gz MJKKMCNEPJFEMK-JTQLQIEISA-N 1 0 338.364 0.860 20 5 ECBDRO COC(=O)c1cc(C)nc(NCC[NH+]2CCC(O)CC2)c1[N+](=O)[O-] ZINC000296008910 265087419 /nfs/dbraw/zinc/08/74/19/265087419.db2.gz NJHZPBNIPFDWTP-UHFFFAOYSA-N 1 0 338.364 0.953 20 5 ECBDRO 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348.403 0.839 20 5 ECBDRO C[C@@H]1C[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])cnc2N)CCCO1 ZINC000432561479 438203459 /nfs/dbraw/zinc/20/34/59/438203459.db2.gz XVFAKTBJCVXHSA-LLVKDONJSA-N 1 0 337.380 0.803 20 5 ECBDRO C[N@H+](CCN1CCOC(C)(C)C1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000434708385 438318711 /nfs/dbraw/zinc/31/87/11/438318711.db2.gz ROHFWIFKUDRMRQ-AWEZNQCLSA-N 1 0 341.412 0.195 20 5 ECBDRO CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000358952845 438335197 /nfs/dbraw/zinc/33/51/97/438335197.db2.gz ZWPWGTMLZFLPES-MNOVXSKESA-N 1 0 338.364 0.907 20 5 ECBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000368486831 438336560 /nfs/dbraw/zinc/33/65/60/438336560.db2.gz DRGLOYQGUSJZEX-MRXNPFEDSA-N 1 0 332.404 0.986 20 5 ECBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCC[NH2+]CC1 ZINC000419131576 438337626 /nfs/dbraw/zinc/33/76/26/438337626.db2.gz ALOSKSPGKHWMIM-UHFFFAOYSA-N 1 0 340.767 0.686 20 5 ECBDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000419341674 438353086 /nfs/dbraw/zinc/35/30/86/438353086.db2.gz OPGYTJUKOGLRTH-QWHCGFSZSA-N 1 0 336.392 0.920 20 5 ECBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419848205 438373461 /nfs/dbraw/zinc/37/34/61/438373461.db2.gz UFIIXKCTCVUSJU-UHFFFAOYSA-N 1 0 348.403 0.854 20 5 ECBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000352101923 438380986 /nfs/dbraw/zinc/38/09/86/438380986.db2.gz HFKFFTSWECYMJL-UHFFFAOYSA-N 1 0 337.380 0.892 20 5 ECBDRO CC[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000388369854 438423830 /nfs/dbraw/zinc/42/38/30/438423830.db2.gz PHEFUAYPWCGWQW-SECBINFHSA-N 1 0 334.170 0.832 20 5 ECBDRO NS(=O)(=O)c1cccc(N[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000352390702 438417281 /nfs/dbraw/zinc/41/72/81/438417281.db2.gz GMZNZXPMVOBWFT-SECBINFHSA-N 1 0 326.378 0.891 20 5 ECBDRO CCO[C@@H]1CN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000405788228 438469498 /nfs/dbraw/zinc/46/94/98/438469498.db2.gz OHSWILKVSMSDGF-BXUZGUMPSA-N 1 0 343.405 0.888 20 5 ECBDRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000359645130 438473375 /nfs/dbraw/zinc/47/33/75/438473375.db2.gz ZQAQGUGEHUKABW-OAHLLOKOSA-N 1 0 346.387 0.706 20 5 ECBDRO CC(C)C(=O)NC1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000438834081 438486707 /nfs/dbraw/zinc/48/67/07/438486707.db2.gz RAAJIBIECIPCRU-CQSZACIVSA-N 1 0 339.396 0.389 20 5 ECBDRO C[C@@H]1OCC[C@@]12C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H](C)O2 ZINC000369290011 438451242 /nfs/dbraw/zinc/45/12/42/438451242.db2.gz HOMLHLDXTMADSS-PAPYEOQZSA-N 1 0 340.380 0.421 20 5 ECBDRO NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000369825210 438519657 /nfs/dbraw/zinc/51/96/57/438519657.db2.gz GZQLCMGGWXBAAX-DEQVHRJGSA-N 1 0 337.380 0.271 20 5 ECBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000408450579 438575184 /nfs/dbraw/zinc/57/51/84/438575184.db2.gz FVUXJGAIEZQQIJ-DGCLKSJQSA-N 1 0 334.380 0.662 20 5 ECBDRO C[C@H]1C[C@H](C[NH3+])CN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000442751527 438622105 /nfs/dbraw/zinc/62/21/05/438622105.db2.gz CCHNHEWKASFPIK-VHSXEESVSA-N 1 0 336.348 0.931 20 5 ECBDRO C[C@@H]([NH3+])[C@H](C)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000493768665 438649177 /nfs/dbraw/zinc/64/91/77/438649177.db2.gz PLLKHRQQEIDSOF-VHSXEESVSA-N 1 0 340.405 0.924 20 5 ECBDRO O=C(C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)N1CCOCC1 ZINC000447589299 438676876 /nfs/dbraw/zinc/67/68/76/438676876.db2.gz XMTCNCIGTQRJFI-OLZOCXBDSA-N 1 0 337.380 0.723 20 5 ECBDRO CC(C)N1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000574982730 438730958 /nfs/dbraw/zinc/73/09/58/438730958.db2.gz JASUDCKNNZXUBH-CHWSQXEVSA-N 1 0 337.376 0.933 20 5 ECBDRO CC[NH+]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(NC)n2)CC1 ZINC000455638233 438750127 /nfs/dbraw/zinc/75/01/27/438750127.db2.gz KCPRKELPUMDCRI-UHFFFAOYSA-N 1 0 336.396 0.399 20 5 ECBDRO CNc1nc(C(=O)N2CCN(C[C@@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000456028864 438756285 /nfs/dbraw/zinc/75/62/85/438756285.db2.gz TUBWWIHCRUXXGM-GHMZBOCLSA-N 1 0 337.380 0.559 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000575868046 438758891 /nfs/dbraw/zinc/75/88/91/438758891.db2.gz NBGDKUAQKAFHFV-QMMMGPOBSA-N 1 0 329.334 0.103 20 5 ECBDRO CS[C@@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000554864260 438769252 /nfs/dbraw/zinc/76/92/52/438769252.db2.gz WFADOMLMBOCAEH-WDEREUQCSA-N 1 0 325.394 0.970 20 5 ECBDRO CS[C@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000554864259 438769571 /nfs/dbraw/zinc/76/95/71/438769571.db2.gz WFADOMLMBOCAEH-QWRGUYRKSA-N 1 0 325.394 0.970 20 5 ECBDRO C[N@@H+]1CC[C@@H]2CN(c3ncnc(N4CCOCC4)c3[N+](=O)[O-])C[C@@H]2C1 ZINC000601184089 438828587 /nfs/dbraw/zinc/82/85/87/438828587.db2.gz HAUPDRBTHJIPSD-OLZOCXBDSA-N 1 0 348.407 0.609 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)c1 ZINC000595612534 438834386 /nfs/dbraw/zinc/83/43/86/438834386.db2.gz RBGZUDJLGDDLIZ-HIFRSBDPSA-N 1 0 347.375 0.948 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](Cn3ccnn3)C2)c1 ZINC000595612532 438834758 /nfs/dbraw/zinc/83/47/58/438834758.db2.gz RBGZUDJLGDDLIZ-DZGCQCFKSA-N 1 0 347.375 0.948 20 5 ECBDRO COc1ccc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000588864035 438846312 /nfs/dbraw/zinc/84/63/12/438846312.db2.gz XFXAOVGRYUAZIL-CHWSQXEVSA-N 1 0 335.360 0.885 20 5 ECBDRO C[N@H+]1C[C@H]2[C@@H](CCN2CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000590011906 438897683 /nfs/dbraw/zinc/89/76/83/438897683.db2.gz MUZCOKDNWJRZIW-GWCFXTLKSA-N 1 0 348.359 0.898 20 5 ECBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000577961579 438885567 /nfs/dbraw/zinc/88/55/67/438885567.db2.gz WZIONZUXKWNHSM-CQSZACIVSA-N 1 0 336.392 0.553 20 5 ECBDRO C[N@@H+]1CCC[C@@H](CNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000596119693 438927166 /nfs/dbraw/zinc/92/71/66/438927166.db2.gz MWKABMBQCCRVHC-JTQLQIEISA-N 1 0 328.394 0.996 20 5 ECBDRO [NH3+][C@H]1C[C@@H]2CN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000565238829 438935685 /nfs/dbraw/zinc/93/56/85/438935685.db2.gz IHIQQXIABPKGTO-NEPJUHHUSA-N 1 0 347.375 0.167 20 5 ECBDRO O=C(NCC1CC[NH2+]CC1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000517019550 438946152 /nfs/dbraw/zinc/94/61/52/438946152.db2.gz ORLTVNATJLUCRL-UHFFFAOYSA-N 1 0 348.407 0.821 20 5 ECBDRO C[NH+](C)[C@H]1CN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000596289444 438951699 /nfs/dbraw/zinc/95/16/99/438951699.db2.gz PVQHKXOENLVONY-KBPBESRZSA-N 1 0 338.364 0.290 20 5 ECBDRO C[NH+](C)CCCNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000590901858 438967957 /nfs/dbraw/zinc/96/79/57/438967957.db2.gz WDOJWKKOGDXTCT-UHFFFAOYSA-N 1 0 336.396 0.773 20 5 ECBDRO COc1c(C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000565786018 438979289 /nfs/dbraw/zinc/97/92/89/438979289.db2.gz YQPYMENMCLEKIJ-JTQLQIEISA-N 1 0 338.364 0.400 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N2CCC(C)([NH3+])CC2)cccc1[N+](=O)[O-] ZINC000591415879 439010723 /nfs/dbraw/zinc/01/07/23/439010723.db2.gz GAELPIMXJHFDPS-UHFFFAOYSA-N 1 0 334.376 0.859 20 5 ECBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CCO1 ZINC000596818009 439004081 /nfs/dbraw/zinc/00/40/81/439004081.db2.gz XOQUZWYZNYWCMB-GFCCVEGCSA-N 1 0 337.380 0.986 20 5 ECBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000591351711 439007607 /nfs/dbraw/zinc/00/76/07/439007607.db2.gz ZVIUOTSQRKQTSZ-SMDDNHRTSA-N 1 0 338.364 0.731 20 5 ECBDRO O=C(NCC[NH2+]C1CC1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000591421119 439013566 /nfs/dbraw/zinc/01/35/66/439013566.db2.gz PUCLLHQGUVGTIQ-UHFFFAOYSA-N 1 0 346.387 0.954 20 5 ECBDRO NC(=O)C1CCC([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000579582917 439020400 /nfs/dbraw/zinc/02/04/00/439020400.db2.gz TZPNJZPBVBBWQC-WXRRBKDZSA-N 1 0 337.376 0.968 20 5 ECBDRO Cc1sc(S(=O)(=O)NCCOCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000471648746 439089558 /nfs/dbraw/zinc/08/95/58/439089558.db2.gz WIIDYPYATHAGIM-UHFFFAOYSA-N 1 0 337.423 0.821 20 5 ECBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000591918400 439113028 /nfs/dbraw/zinc/11/30/28/439113028.db2.gz QLFWLLIXIJQPOF-GFCCVEGCSA-N 1 0 349.391 0.856 20 5 ECBDRO CC[N@H+](CCO)CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000487184741 439137850 /nfs/dbraw/zinc/13/78/50/439137850.db2.gz HRYPPHVQCRUCDQ-UHFFFAOYSA-N 1 0 331.319 0.846 20 5 ECBDRO O=C(NCC[C@@H]1CC[NH2+]C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000580942388 439151309 /nfs/dbraw/zinc/15/13/09/439151309.db2.gz STNQOCGOTMZBJY-ZDUSSCGKSA-N 1 0 348.407 0.821 20 5 ECBDRO Cc1nn(CCC(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000592310004 439199983 /nfs/dbraw/zinc/19/99/83/439199983.db2.gz VEBLJWXXASJIOA-BXKDBHETSA-N 1 0 325.369 0.373 20 5 ECBDRO C[NH+](C)C[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccc(F)cc1 ZINC000488903907 439206580 /nfs/dbraw/zinc/20/65/80/439206580.db2.gz SYEZJDDCARASNX-GFCCVEGCSA-N 1 0 336.327 0.745 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N[C@H]2CC23CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000592337264 439208568 /nfs/dbraw/zinc/20/85/68/439208568.db2.gz CKZGIJVUINLGCI-AWEZNQCLSA-N 1 0 346.387 0.891 20 5 ECBDRO Cc1cc(S(=O)(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000592373813 439211797 /nfs/dbraw/zinc/21/17/97/439211797.db2.gz CROBYEUYMBBMCK-MFKMUULPSA-N 1 0 329.378 0.640 20 5 ECBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000525694553 439213563 /nfs/dbraw/zinc/21/35/63/439213563.db2.gz HRVAQBPWWGOZEE-LLVKDONJSA-N 1 0 328.394 0.952 20 5 ECBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000592374027 439214814 /nfs/dbraw/zinc/21/48/14/439214814.db2.gz HBTBBXWBILISTC-WCQYABFASA-N 1 0 343.405 0.948 20 5 ECBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CCN1CC[NH2+]CC1 ZINC000592471971 439234783 /nfs/dbraw/zinc/23/47/83/439234783.db2.gz AKUAZTSYRBWGDH-ZDUSSCGKSA-N 1 0 335.408 0.759 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2COc3ccccc3O2)c1 ZINC000581645812 439236758 /nfs/dbraw/zinc/23/67/58/439236758.db2.gz ASSAJBBNFKRYEQ-CHWSQXEVSA-N 1 0 334.332 0.582 20 5 ECBDRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000592493055 439241868 /nfs/dbraw/zinc/24/18/68/439241868.db2.gz VIOKAEUSBGJWMU-ZDUSSCGKSA-N 1 0 336.348 0.031 20 5 ECBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000581777553 439253504 /nfs/dbraw/zinc/25/35/04/439253504.db2.gz UAMAFIHHQPUSNU-OCCSQVGLSA-N 1 0 348.407 0.819 20 5 ECBDRO CC1CC[NH+](C[C@H](O)CNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000581893056 439262038 /nfs/dbraw/zinc/26/20/38/439262038.db2.gz GBRRLKNPQDCVSW-LLVKDONJSA-N 1 0 337.380 0.395 20 5 ECBDRO COc1cc(S(=O)(=O)NCC2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000569483568 439337936 /nfs/dbraw/zinc/33/79/36/439337936.db2.gz RROKLDWZIUHQRD-UHFFFAOYSA-N 1 0 329.378 0.881 20 5 ECBDRO CC[N@H+](CCO)CCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598609271 439286619 /nfs/dbraw/zinc/28/66/19/439286619.db2.gz WMRGXMZXGFNKQV-UHFFFAOYSA-N 1 0 345.421 0.804 20 5 ECBDRO CNc1ccc(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)cc1[N+](=O)[O-] ZINC000592881599 439296587 /nfs/dbraw/zinc/29/65/87/439296587.db2.gz UOHJDWDJLYMNOI-LLVKDONJSA-N 1 0 349.391 0.829 20 5 ECBDRO CC1(C)C[NH2+]CCN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598664210 439297826 /nfs/dbraw/zinc/29/78/26/439297826.db2.gz JSNXHNFZYWNKNQ-UHFFFAOYSA-N 1 0 335.364 0.927 20 5 ECBDRO COCC[NH2+]CCNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598665941 439299482 /nfs/dbraw/zinc/29/94/82/439299482.db2.gz UIFURGRPQHNSDC-UHFFFAOYSA-N 1 0 339.352 0.069 20 5 ECBDRO CO[C@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H](C[NH3+])C1 ZINC000582235995 439306134 /nfs/dbraw/zinc/30/61/34/439306134.db2.gz MUFMXFWLLPRQNO-ZJUUUORDSA-N 1 0 337.332 0.902 20 5 ECBDRO C[NH2+]CCOCCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000599108284 439359584 /nfs/dbraw/zinc/35/95/84/439359584.db2.gz VYDRPUVQVLGATF-UHFFFAOYSA-N 1 0 331.394 0.293 20 5 ECBDRO C[NH2+]CCOCCN(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000599109058 439360124 /nfs/dbraw/zinc/36/01/24/439360124.db2.gz ZGGBDLQLJHODSF-UHFFFAOYSA-N 1 0 331.394 0.592 20 5 ECBDRO CN(CCOCC[NH3+])S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000599110937 439362477 /nfs/dbraw/zinc/36/24/77/439362477.db2.gz HKUBADIJSVXECI-UHFFFAOYSA-N 1 0 337.785 0.844 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC000599097033 439355284 /nfs/dbraw/zinc/35/52/84/439355284.db2.gz BKDTZDPOIMEKKB-LLVKDONJSA-N 1 0 343.409 0.481 20 5 ECBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CC[C@H](O)C1 ZINC000599093266 439355523 /nfs/dbraw/zinc/35/55/23/439355523.db2.gz OBFHOAJNLVSYFW-WFASDCNBSA-N 1 0 336.392 0.968 20 5 ECBDRO [NH3+]CC1(NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000599102119 439357160 /nfs/dbraw/zinc/35/71/60/439357160.db2.gz FONPHDBDENJZRC-UHFFFAOYSA-N 1 0 329.378 0.522 20 5 ECBDRO O=C(NC1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000582605004 439357671 /nfs/dbraw/zinc/35/76/71/439357671.db2.gz SALKQQYYUKXACC-UHFFFAOYSA-N 1 0 334.376 0.913 20 5 ECBDRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000599103553 439358401 /nfs/dbraw/zinc/35/84/01/439358401.db2.gz XABMEJIIESPOIM-UTLUCORTSA-N 1 0 331.398 0.322 20 5 ECBDRO C[NH+](C)CCN1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1=O ZINC000593485714 439387011 /nfs/dbraw/zinc/38/70/11/439387011.db2.gz BOKFEDRQGSRPMM-UHFFFAOYSA-N 1 0 327.772 0.853 20 5 ECBDRO CC(C)Oc1nc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000570409010 439419689 /nfs/dbraw/zinc/41/96/89/439419689.db2.gz DYPWVBXTWTXUQR-MNOVXSKESA-N 1 0 335.364 0.525 20 5 ECBDRO CN1CCN(C)[C@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000570273560 439407844 /nfs/dbraw/zinc/40/78/44/439407844.db2.gz PCCMDBWGXQQZFH-CYBMUJFWSA-N 1 0 335.408 0.759 20 5 ECBDRO [NH3+]CCn1cc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)nn1 ZINC000570986964 439466968 /nfs/dbraw/zinc/46/69/68/439466968.db2.gz SSVUCMGXGKSLNU-UHFFFAOYSA-N 1 0 330.348 0.950 20 5 ECBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000491929926 439474527 /nfs/dbraw/zinc/47/45/27/439474527.db2.gz DQOBKNJIOAOZPI-KOLCDFICSA-N 1 0 348.315 0.891 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H](CO)CN2CCCC2)c1 ZINC000571283948 439490325 /nfs/dbraw/zinc/49/03/25/439490325.db2.gz ISNFVXOPGMZGQF-DZGCQCFKSA-N 1 0 339.392 0.381 20 5 ECBDRO C[NH+](C)CC[C@@H](N)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000593905332 439492431 /nfs/dbraw/zinc/49/24/31/439492431.db2.gz CCPNAYMXKHQNAW-OAHLLOKOSA-N 1 0 335.408 0.522 20 5 ECBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599633805 439522404 /nfs/dbraw/zinc/52/24/04/439522404.db2.gz WTUTVFKNQSXHHK-GPAUDHNESA-N 1 0 325.390 0.742 20 5 ECBDRO CNc1nccc(C(=O)N[C@H]2CCC[N@H+](CCOC)C2)c1[N+](=O)[O-] ZINC000594292098 439536104 /nfs/dbraw/zinc/53/61/04/439536104.db2.gz PAARWSGHZBZNMH-NSHDSACASA-N 1 0 337.380 0.872 20 5 ECBDRO CCc1ccc(S(=O)(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000571878177 439540212 /nfs/dbraw/zinc/54/02/12/439540212.db2.gz PTPKUQZNRGDXSX-CQSZACIVSA-N 1 0 343.405 0.502 20 5 ECBDRO CN(C)C(=O)c1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000584032106 439540615 /nfs/dbraw/zinc/54/06/15/439540615.db2.gz PKCFKYPVKPFUSK-HNNXBMFYSA-N 1 0 347.375 0.644 20 5 ECBDRO Cc1n[nH]c(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000609112594 439550576 /nfs/dbraw/zinc/55/05/76/439550576.db2.gz GKVQUJZBNLDZIB-LBPRGKRZSA-N 1 0 337.380 0.953 20 5 ECBDRO CC[NH+]1CCC(NC(=O)CSc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000583823874 439516821 /nfs/dbraw/zinc/51/68/21/439516821.db2.gz KVBWRWCRVYITGX-UHFFFAOYSA-N 1 0 340.409 0.660 20 5 ECBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000599895869 439570841 /nfs/dbraw/zinc/57/08/41/439570841.db2.gz FIBFNEDCIBJIAP-WDEREUQCSA-N 1 0 336.348 0.799 20 5 ECBDRO CCc1n[nH]c(C(=O)N[C@H]2CCC[N@H+](CCOC)C2)c1[N+](=O)[O-] ZINC000609479025 439571419 /nfs/dbraw/zinc/57/14/19/439571419.db2.gz QYAVXQDYTAKDMO-JTQLQIEISA-N 1 0 325.369 0.721 20 5 ECBDRO C[NH2+]CCOCCN(C)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000599907342 439573203 /nfs/dbraw/zinc/57/32/03/439573203.db2.gz MJYOOGIXJBAHMG-UHFFFAOYSA-N 1 0 340.380 0.981 20 5 ECBDRO C[NH2+]CCOCCNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000599935546 439578783 /nfs/dbraw/zinc/57/87/83/439578783.db2.gz JPYXBOZMTUBICF-UHFFFAOYSA-N 1 0 340.384 0.374 20 5 ECBDRO CS(=O)(=O)c1cc(C(=O)NCCC[NH2+]C2CC2)cc([N+](=O)[O-])c1 ZINC000572406188 439580175 /nfs/dbraw/zinc/58/01/75/439580175.db2.gz JNCGPXCVSLDQKJ-UHFFFAOYSA-N 1 0 341.389 0.870 20 5 ECBDRO C[C@H]1CC[C@@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[NH2+]1 ZINC000599940467 439581088 /nfs/dbraw/zinc/58/10/88/439581088.db2.gz QYXPNDIYFMTCSZ-QWHCGFSZSA-N 1 0 348.407 0.962 20 5 ECBDRO CO[C@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000594717993 439595558 /nfs/dbraw/zinc/59/55/58/439595558.db2.gz JRKZHCCWVXYYKW-WOSRLPQWSA-N 1 0 340.376 0.976 20 5 ECBDRO CCn1cc(S(=O)(=O)NC[C@H]2CCN2C(C)(C)C)c([N+](=O)[O-])n1 ZINC000594789327 439612288 /nfs/dbraw/zinc/61/22/88/439612288.db2.gz LEQQONVFINGQIY-SNVBAGLBSA-N 1 0 345.425 0.962 20 5 ECBDRO O=C(CC[NH2+][C@@H](CO)CN1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000573444952 439646382 /nfs/dbraw/zinc/64/63/82/439646382.db2.gz ITMQLDVDWDIMCK-CYBMUJFWSA-N 1 0 336.392 0.970 20 5 ECBDRO Nc1cc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc(CO)c1[N+](=O)[O-] ZINC000587862282 439668989 /nfs/dbraw/zinc/66/89/89/439668989.db2.gz VGSWCTPXLQOQIS-GJZGRUSLSA-N 1 0 336.392 0.705 20 5 ECBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000595270378 439686184 /nfs/dbraw/zinc/68/61/84/439686184.db2.gz UPXBOUNDLWCPBM-CHWSQXEVSA-N 1 0 330.348 0.448 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000600669685 439687166 /nfs/dbraw/zinc/68/71/66/439687166.db2.gz UFFHHSYXDBGQFU-IWIIMEHWSA-N 1 0 341.389 0.784 20 5 ECBDRO C[N@@H+]1CC[C@]2(CCN(c3cccc([N+](=O)[O-])c3S(N)(=O)=O)C2)C1 ZINC000574305839 439697508 /nfs/dbraw/zinc/69/75/08/439697508.db2.gz CTOIPUAEWZAQFJ-AWEZNQCLSA-N 1 0 340.405 0.774 20 5 ECBDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000613389685 439756050 /nfs/dbraw/zinc/75/60/50/439756050.db2.gz JZBJCIYCDSLWJG-WQVCFCJDSA-N 1 0 334.376 0.906 20 5 ECBDRO COC[C@](C)(CCO)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273282905 320560144 /nfs/dbraw/zinc/56/01/44/320560144.db2.gz DMJGBRPAMCLXCU-DOMZBBRYSA-N 1 0 328.365 0.712 20 5 ECBDRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000327602983 320723062 /nfs/dbraw/zinc/72/30/62/320723062.db2.gz KFJQAKIPLLEDOA-DANTVBBOSA-N 1 0 346.387 0.922 20 5 ECBDRO O=C(NCCN1CCN(C(=O)C2CCC2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000343025420 321118624 /nfs/dbraw/zinc/11/86/24/321118624.db2.gz UGCQURLKYUDCGK-UHFFFAOYSA-N 1 0 349.391 0.597 20 5 ECBDRO Cc1nn(C)c(C(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000347218369 321234029 /nfs/dbraw/zinc/23/40/29/321234029.db2.gz HUKVRSGCZNMXTF-SNVBAGLBSA-N 1 0 325.369 0.165 20 5 ECBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000347508746 321241832 /nfs/dbraw/zinc/24/18/32/321241832.db2.gz IHKJBQRRJBZNDF-NSHDSACASA-N 1 0 325.369 0.295 20 5 ECBDRO C[C@H]1COCCN1CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000352634079 321368055 /nfs/dbraw/zinc/36/80/55/321368055.db2.gz WAWSSTBRKODBIE-JTQLQIEISA-N 1 0 344.393 0.375 20 5 ECBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H]1COC[C@@H]1O ZINC000352799841 321372917 /nfs/dbraw/zinc/37/29/17/321372917.db2.gz MYPRFESLRQIYEH-STQMWFEESA-N 1 0 337.332 0.584 20 5 ECBDRO COC(=O)[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C1CC1 ZINC000353140449 321382952 /nfs/dbraw/zinc/38/29/52/321382952.db2.gz PLLATOICRJKZOT-MELADBBJSA-N 1 0 338.364 0.283 20 5 ECBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCC(=O)NC2)cc1[N+](=O)[O-] ZINC000353782419 321415357 /nfs/dbraw/zinc/41/53/57/321415357.db2.gz UWIUSTBMQFJRGN-NSHDSACASA-N 1 0 337.332 0.515 20 5 ECBDRO CCC[NH+]1CCC(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000354588955 321485533 /nfs/dbraw/zinc/48/55/33/321485533.db2.gz YJIMVGPGLZIEOE-UHFFFAOYSA-N 1 0 336.392 0.995 20 5 ECBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1 ZINC000535227494 322077985 /nfs/dbraw/zinc/07/79/85/322077985.db2.gz XHGRBZKHAAZYNF-UHFFFAOYSA-N 1 0 333.348 0.909 20 5 ECBDRO C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C(=O)NCC[NH+](C)C ZINC000560567194 322247254 /nfs/dbraw/zinc/24/72/54/322247254.db2.gz ZZYLBBZASBHYOK-JTQLQIEISA-N 1 0 347.375 0.872 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000561004775 322252147 /nfs/dbraw/zinc/25/21/47/322252147.db2.gz RFKMGTLIIJCNHS-JTQLQIEISA-N 1 0 336.348 0.739 20 5 ECBDRO O=C1C[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CN1c1ccccc1 ZINC000562987464 322291414 /nfs/dbraw/zinc/29/14/14/322291414.db2.gz RKCSMWZCTXSBQU-DOMZBBRYSA-N 1 0 345.359 0.547 20 5 ECBDRO C[C@@H](CS(C)(=O)=O)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000562993939 322291874 /nfs/dbraw/zinc/29/18/74/322291874.db2.gz RWLJHGACKKOSNS-JTQLQIEISA-N 1 0 329.378 0.946 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccc(OC(F)F)cn2)c1 ZINC000563002210 322292479 /nfs/dbraw/zinc/29/24/79/322292479.db2.gz CVJYQXSWFKRGPJ-LLVKDONJSA-N 1 0 343.290 0.938 20 5 ECBDRO C[NH+](C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C[C@@H]1O ZINC000563393218 322314228 /nfs/dbraw/zinc/31/42/28/322314228.db2.gz CFCYUDXTTYHENW-GJZGRUSLSA-N 1 0 345.359 0.527 20 5 ECBDRO CO[C@H](CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(F)(F)F ZINC000565299160 322448667 /nfs/dbraw/zinc/44/86/67/322448667.db2.gz FPXKCLQMSOMFQZ-VHSXEESVSA-N 1 0 326.275 0.709 20 5 ECBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000566066799 322497324 /nfs/dbraw/zinc/49/73/24/322497324.db2.gz MFOVDZKDGGSDOV-VXGBXAGGSA-N 1 0 336.396 0.947 20 5 ECBDRO O=C(CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)Nc1ccccc1 ZINC000566116864 322503437 /nfs/dbraw/zinc/50/34/37/322503437.db2.gz NSNXLNVCPQPTMS-AWEZNQCLSA-N 1 0 333.348 0.771 20 5 ECBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CS(=O)(=O)CCO1 ZINC000566474724 322536283 /nfs/dbraw/zinc/53/62/83/322536283.db2.gz HQDAHWKJTKORMQ-ZWNOBZJWSA-N 1 0 326.374 0.985 20 5 ECBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000567672925 322591775 /nfs/dbraw/zinc/59/17/75/322591775.db2.gz UMJVTSQXVPQEFR-LLVKDONJSA-N 1 0 349.313 0.499 20 5 ECBDRO Cc1nn(CCC(=O)N2CCCO[C@H](C[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000569455077 322653894 /nfs/dbraw/zinc/65/38/94/322653894.db2.gz FUJKVPHFIDSWSF-GFCCVEGCSA-N 1 0 325.369 0.374 20 5 ECBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000570812808 322700686 /nfs/dbraw/zinc/70/06/86/322700686.db2.gz JPGUKXKTTLKFHL-DGCLKSJQSA-N 1 0 349.391 0.732 20 5 ECBDRO C[C@@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C(=O)NCC[NH+](C)C ZINC000571225359 322714096 /nfs/dbraw/zinc/71/40/96/322714096.db2.gz YWCVUEXDXRAWGE-SNVBAGLBSA-N 1 0 347.375 0.872 20 5 ECBDRO O=C([C@H]1C[C@]12CC[NH2+]C2)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000571916334 322736201 /nfs/dbraw/zinc/73/62/01/322736201.db2.gz WPLXPBTWPCRLNF-CJNGLKHVSA-N 1 0 331.376 0.638 20 5 ECBDRO CN(C)c1nccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000580423004 322925087 /nfs/dbraw/zinc/92/50/87/322925087.db2.gz BBBVOKDCUJEKAB-CYBMUJFWSA-N 1 0 347.375 0.980 20 5 ECBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423095946 517937435 /nfs/dbraw/zinc/93/74/35/517937435.db2.gz GMGNSSGJOZZQOG-TZMCWYRMSA-N 1 0 346.387 0.621 20 5 ECBDRO CC[N@H+](CCO)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000184341382 528552252 /nfs/dbraw/zinc/55/22/52/528552252.db2.gz RLGNGVCGKGQWAI-UHFFFAOYSA-N 1 0 331.394 0.496 20 5 ECBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000735999951 578402354 /nfs/dbraw/zinc/40/23/54/578402354.db2.gz 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[NH2+]=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC1CCC1 ZINC000849111403 589320840 /nfs/dbraw/zinc/32/08/40/589320840.db2.gz MSJMQTFPYKQVRM-UHFFFAOYSA-N 1 0 341.393 0.540 20 5 ECBDRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000854641695 589597705 /nfs/dbraw/zinc/59/77/05/589597705.db2.gz FBGGNCRJZMBXTA-BZUAXINKSA-N 1 0 349.387 0.950 20 5 ECBDRO CN1CCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000857765342 589704157 /nfs/dbraw/zinc/70/41/57/589704157.db2.gz FJSHVKDONNVPEG-LLVKDONJSA-N 1 0 344.318 0.668 20 5 ECBDRO [NH3+]CC1(O)CCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000857766340 589704182 /nfs/dbraw/zinc/70/41/82/589704182.db2.gz KWNRKRCOAVWVKP-UHFFFAOYSA-N 1 0 345.302 0.879 20 5 ECBDRO CN1CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000857766452 589704316 /nfs/dbraw/zinc/70/43/16/589704316.db2.gz QKRSMZQHXAMSJH-LLVKDONJSA-N 1 0 344.318 0.668 20 5 ECBDRO O=C1COC[C@@]2(C[NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])COCCN12 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Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000237566275 201149680 /nfs/dbraw/zinc/14/96/80/201149680.db2.gz XIJKXRVEQVYSRK-LBPRGKRZSA-N 1 0 334.376 0.830 20 5 ECBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000237895809 201151474 /nfs/dbraw/zinc/15/14/74/201151474.db2.gz JACUHWYZCILSSE-SNVBAGLBSA-N 1 0 338.339 0.661 20 5 ECBDRO COCC[NH2+]CCNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000261908770 201200364 /nfs/dbraw/zinc/20/03/64/201200364.db2.gz PXIQUWFRWLAVJN-UHFFFAOYSA-N 1 0 327.337 0.578 20 5 ECBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419851533 209225037 /nfs/dbraw/zinc/22/50/37/209225037.db2.gz JIJJGNOAMZIDDG-UHFFFAOYSA-N 1 0 334.376 0.812 20 5 ECBDRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000193700824 240271256 /nfs/dbraw/zinc/27/12/56/240271256.db2.gz HWCCWDODRCZZRQ-HNNXBMFYSA-N 1 0 348.403 0.983 20 5 ECBDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000419764181 209199988 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HFXZFUITSTZPMB-VHSXEESVSA-N 1 0 341.389 0.821 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000262773374 245171206 /nfs/dbraw/zinc/17/12/06/245171206.db2.gz BNNHSSKHTPPTCX-NTZNESFSSA-N 1 0 334.376 0.970 20 5 ECBDRO Cc1cc(=O)c(C(=O)N[C@H]2CC[NH2+]C2)nn1-c1ccccc1[N+](=O)[O-] ZINC000126225556 205046799 /nfs/dbraw/zinc/04/67/99/205046799.db2.gz QRPXMKWIFIEOOL-NSHDSACASA-N 1 0 343.343 0.541 20 5 ECBDRO CCOC(=O)N[C@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266491483 248329410 /nfs/dbraw/zinc/32/94/10/248329410.db2.gz VMTZWSQCZKUXIO-AAEUAGOBSA-N 1 0 341.368 0.363 20 5 ECBDRO C[C@H]([NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000451102892 211359892 /nfs/dbraw/zinc/35/98/92/211359892.db2.gz FSPWICNFTXFGLS-AAEUAGOBSA-N 1 0 334.376 0.969 20 5 ECBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000449708008 211294360 /nfs/dbraw/zinc/29/43/60/211294360.db2.gz FIHDLDLWHGACOG-LBPRGKRZSA-N 1 0 345.359 0.889 20 5 ECBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000449609250 211286888 /nfs/dbraw/zinc/28/68/88/211286888.db2.gz BATQGEIZOGNRGL-KCJUWKMLSA-N 1 0 344.318 0.812 20 5 ECBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000449197532 211277683 /nfs/dbraw/zinc/27/76/83/211277683.db2.gz ZQRQVZAUAGERMB-LBPRGKRZSA-N 1 0 330.348 0.868 20 5 ECBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446900724 211162346 /nfs/dbraw/zinc/16/23/46/211162346.db2.gz QUEHLRIVUIYCNV-OAHLLOKOSA-N 1 0 348.363 0.337 20 5 ECBDRO CCc1n[nH]c(C(=O)NC[C@H](C)N2CC[NH+](CC)CC2)c1[N+](=O)[O-] ZINC000444270542 211064336 /nfs/dbraw/zinc/06/43/36/211064336.db2.gz RQQKGLFZPDYSJV-NSHDSACASA-N 1 0 338.412 0.636 20 5 ECBDRO CC(C)OCC[NH+]1CCC(NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000176694156 207251083 /nfs/dbraw/zinc/25/10/83/207251083.db2.gz FINQHECTEWXOGZ-UHFFFAOYSA-N 1 0 339.396 0.797 20 5 ECBDRO COc1cccc(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000192535864 207763892 /nfs/dbraw/zinc/76/38/92/207763892.db2.gz DQRFUUMCJOYQBW-LBPRGKRZSA-N 1 0 336.392 0.969 20 5 ECBDRO CC1(NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC[NH2+]CC1 ZINC000193359525 207768525 /nfs/dbraw/zinc/76/85/25/207768525.db2.gz AFSCXWPKVORMEZ-UHFFFAOYSA-N 1 0 341.389 0.870 20 5 ECBDRO COC[C@@]1(CNC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CCC[NH2+]1 ZINC000357298350 299559125 /nfs/dbraw/zinc/55/91/25/299559125.db2.gz ZQVLVZUDAYAXOJ-HNNXBMFYSA-N 1 0 339.396 0.683 20 5 ECBDRO Cc1cc(S(=O)(=O)NC[C@@H]2C[NH2+]CCCO2)ccc1[N+](=O)[O-] ZINC000420455527 209369755 /nfs/dbraw/zinc/36/97/55/209369755.db2.gz MJWMYIXVNPWPRM-NSHDSACASA-N 1 0 329.378 0.560 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000415534282 208538674 /nfs/dbraw/zinc/53/86/74/208538674.db2.gz XUZKADJMBACKMR-NXEZZACHSA-N 1 0 336.348 0.738 20 5 ECBDRO CS(=O)(=O)c1cc(C(=O)NC2CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000428733069 210280790 /nfs/dbraw/zinc/28/07/90/210280790.db2.gz OWIYSXXOEALMMD-UHFFFAOYSA-N 1 0 327.362 0.480 20 5 ECBDRO C[NH2+]CCCNS(=O)(=O)c1ccc(NC(=O)OC)c([N+](=O)[O-])c1 ZINC000496163390 255076679 /nfs/dbraw/zinc/07/66/79/255076679.db2.gz AMPZTWVHWKCWQR-UHFFFAOYSA-N 1 0 346.365 0.661 20 5 ECBDRO [NH3+][C@H]1CCCN(C(=O)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000419161054 209006563 /nfs/dbraw/zinc/00/65/63/209006563.db2.gz COIMPJMTRPBJLW-JTQLQIEISA-N 1 0 340.767 0.814 20 5 ECBDRO [NH3+]C[C@H]1CCN(C(=O)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000419163837 209007903 /nfs/dbraw/zinc/00/79/03/209007903.db2.gz KQLQMLRHJPPDJB-SECBINFHSA-N 1 0 340.767 0.672 20 5 ECBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000419268922 209046557 /nfs/dbraw/zinc/04/65/57/209046557.db2.gz LFRNOKKIEOULIO-RYUDHWBXSA-N 1 0 334.376 0.901 20 5 ECBDRO [NH3+]C[C@H](NC(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000419343832 209063888 /nfs/dbraw/zinc/06/38/88/209063888.db2.gz DNVTUGMNBOICSL-HNNXBMFYSA-N 1 0 348.403 0.887 20 5 ECBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]Cc1cncnc1 ZINC000116922456 221010850 /nfs/dbraw/zinc/01/08/50/221010850.db2.gz XSZBOZIXUNULCT-UHFFFAOYSA-N 1 0 337.361 0.453 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])n1 ZINC000357715889 299618939 /nfs/dbraw/zinc/61/89/39/299618939.db2.gz YMQKULBZXLYCRN-UWVGGRQHSA-N 1 0 329.382 0.041 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCO[C@H](C[NH3+])C1 ZINC000358130126 299692024 /nfs/dbraw/zinc/69/20/24/299692024.db2.gz SOQXULFAZOPUKO-GFCCVEGCSA-N 1 0 338.364 0.592 20 5 ECBDRO CO[C@H]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000359210831 299822758 /nfs/dbraw/zinc/82/27/58/299822758.db2.gz IZJIBHLSKBTYIV-OLZOCXBDSA-N 1 0 336.392 0.996 20 5 ECBDRO COCC[NH+](CCOC)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000298698960 296845173 /nfs/dbraw/zinc/84/51/73/296845173.db2.gz UZXKLDKMNPFXSP-CYBMUJFWSA-N 1 0 328.365 0.929 20 5 ECBDRO C[N@H+]1C[C@H]2CN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000192489666 165044112 /nfs/dbraw/zinc/04/41/12/165044112.db2.gz RCRSTFVRDHOIBX-BETUJISGSA-N 1 0 332.360 0.345 20 5 ECBDRO COC[C@@]1(CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000261644620 165221498 /nfs/dbraw/zinc/22/14/98/165221498.db2.gz FDAIAKJJIXBJBJ-AWEZNQCLSA-N 1 0 343.405 0.950 20 5 ECBDRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000262008160 165274018 /nfs/dbraw/zinc/27/40/18/165274018.db2.gz FFTBAGRXDKAIMB-HNNXBMFYSA-N 1 0 334.376 0.579 20 5 ECBDRO COc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000262141106 165298369 /nfs/dbraw/zinc/29/83/69/165298369.db2.gz MIZKZSJNOIBBFA-ZJUUUORDSA-N 1 0 329.378 0.961 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000262321129 165329327 /nfs/dbraw/zinc/32/93/27/165329327.db2.gz RBEOFWJQMNLZJX-ZJUUUORDSA-N 1 0 329.378 0.961 20 5 ECBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC[NH2+]1 ZINC000262779426 165386941 /nfs/dbraw/zinc/38/69/41/165386941.db2.gz BYLRNCONWKFYEZ-KOLCDFICSA-N 1 0 341.389 0.869 20 5 ECBDRO COc1cc(CCNC(=O)C[C@H](C[NH3+])OC)c([N+](=O)[O-])cc1OC ZINC000262875856 165397089 /nfs/dbraw/zinc/39/70/89/165397089.db2.gz MUYCGTREBFBGRU-LLVKDONJSA-N 1 0 341.364 0.635 20 5 ECBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359405285 299847627 /nfs/dbraw/zinc/84/76/27/299847627.db2.gz HEZPSSFADCDLTK-GRYCIOLGSA-N 1 0 348.359 0.470 20 5 ECBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000237325932 263173579 /nfs/dbraw/zinc/17/35/79/263173579.db2.gz PCTGPHCFTPGWKP-SECBINFHSA-N 1 0 329.378 0.584 20 5 ECBDRO CCOC(=O)c1ccnc(NC[C@](C)(O)C[NH+](C)C)c1[N+](=O)[O-] ZINC000269913467 263212290 /nfs/dbraw/zinc/21/22/90/263212290.db2.gz WKDYBYYWQYXVAH-AWEZNQCLSA-N 1 0 326.353 0.891 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1 ZINC000270084097 263221607 /nfs/dbraw/zinc/22/16/07/263221607.db2.gz JESQHWUDVFKLCK-UHFFFAOYSA-N 1 0 348.363 0.462 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)NCC[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000272775607 263371654 /nfs/dbraw/zinc/37/16/54/263371654.db2.gz CYIZEWVLWQLKHW-UHFFFAOYSA-N 1 0 334.376 0.843 20 5 ECBDRO COCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)C(N)=O ZINC000283143491 264087500 /nfs/dbraw/zinc/08/75/00/264087500.db2.gz BUSNBIAOTIQWIV-NSHDSACASA-N 1 0 338.364 0.746 20 5 ECBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283864142 264160710 /nfs/dbraw/zinc/16/07/10/264160710.db2.gz HOVDANQBKMNLJB-SECBINFHSA-N 1 0 325.344 0.292 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H]1COC[C@H]1O ZINC000285524452 264320139 /nfs/dbraw/zinc/32/01/39/264320139.db2.gz KMNBAKNUZUYWCI-CHWSQXEVSA-N 1 0 339.348 0.624 20 5 ECBDRO CNc1nc(C(=O)NCC2([NH+](C)C)CCOCC2)ccc1[N+](=O)[O-] ZINC000455651454 273975690 /nfs/dbraw/zinc/97/56/90/273975690.db2.gz AMPYVDJOXXNFOH-UHFFFAOYSA-N 1 0 337.380 0.872 20 5 ECBDRO C[NH2+]CCN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000237304815 277023649 /nfs/dbraw/zinc/02/36/49/277023649.db2.gz BUDWUODSGSFGIZ-JTQLQIEISA-N 1 0 340.405 0.939 20 5 ECBDRO C[C@H](C[NH3+])N(C)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262764743 279293090 /nfs/dbraw/zinc/29/30/90/279293090.db2.gz SWFWGZYZLFXWRZ-MRVPVSSYSA-N 1 0 331.350 0.334 20 5 ECBDRO CN(C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C1(C[NH3+])CCC1 ZINC000449676748 281738383 /nfs/dbraw/zinc/73/83/83/281738383.db2.gz JLXILZSSJJNHRB-UHFFFAOYSA-N 1 0 349.391 0.734 20 5 ECBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])C2)C1 ZINC000291628541 437612175 /nfs/dbraw/zinc/61/21/75/437612175.db2.gz BHOBOEHCFYCOPS-CQSZACIVSA-N 1 0 340.405 0.774 20 5 ECBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000423094226 289764824 /nfs/dbraw/zinc/76/48/24/289764824.db2.gz BEPILNDTFVMFCH-OCCSQVGLSA-N 1 0 346.387 0.764 20 5 ECBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000332620552 297059551 /nfs/dbraw/zinc/05/95/51/297059551.db2.gz CAIQANZNJLFIOU-CYBMUJFWSA-N 1 0 334.376 0.843 20 5 ECBDRO COc1cc(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000262759117 295015880 /nfs/dbraw/zinc/01/58/80/295015880.db2.gz IWHJWJHMUZHDPT-UWVGGRQHSA-N 1 0 329.378 0.974 20 5 ECBDRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000193689832 295226156 /nfs/dbraw/zinc/22/61/56/295226156.db2.gz QAQBIQIAJUETRM-CQSZACIVSA-N 1 0 348.403 0.983 20 5 ECBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCO[C@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000347412700 298447302 /nfs/dbraw/zinc/44/73/02/298447302.db2.gz QFMBCSSHJWBDAO-MDZLAQPJSA-N 1 0 337.380 0.652 20 5 ECBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000347412703 298447476 /nfs/dbraw/zinc/44/74/76/298447476.db2.gz QFMBCSSHJWBDAO-NQBHXWOUSA-N 1 0 337.380 0.652 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])n1 ZINC000353311302 299036038 /nfs/dbraw/zinc/03/60/38/299036038.db2.gz ZLZAIJCCVQLSKT-ZJUUUORDSA-N 1 0 331.398 0.559 20 5 ECBDRO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000361333291 300083553 /nfs/dbraw/zinc/08/35/53/300083553.db2.gz AXEABLORTFTVTD-XBFCOCLRSA-N 1 0 335.360 0.687 20 5 ECBDRO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@]2(CCOC2)O1 ZINC000361511565 300103146 /nfs/dbraw/zinc/10/31/46/300103146.db2.gz SXXFVYLRDJTKFN-KWCYVHTRSA-N 1 0 326.353 0.032 20 5 ECBDRO CN(C(=O)[C@H]1C[C@@H]1[N+](=O)[O-])C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000369064910 300705088 /nfs/dbraw/zinc/70/50/88/300705088.db2.gz NSBFWZCZTGDFLS-KBPBESRZSA-N 1 0 338.408 0.197 20 5 ECBDRO CN1CCC[C@]2(CC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1=O ZINC000372557409 301008992 /nfs/dbraw/zinc/00/89/92/301008992.db2.gz MMQWEAOPAHXBSR-DZGCQCFKSA-N 1 0 337.380 0.097 20 5 ECBDRO CCCc1n[nH]c(C(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000372720868 301022234 /nfs/dbraw/zinc/02/22/34/301022234.db2.gz BOBMQCQXZXVXHO-NSHDSACASA-N 1 0 339.396 0.799 20 5 ECBDRO C[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CCN1C1CC[NH+](C)CC1 ZINC000374597449 301115907 /nfs/dbraw/zinc/11/59/07/301115907.db2.gz UVOCJADSJDLLQB-CYBMUJFWSA-N 1 0 336.440 0.929 20 5 ECBDRO O=C(CC[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)N1CCOCC1 ZINC000375402266 301172043 /nfs/dbraw/zinc/17/20/43/301172043.db2.gz JEEPTBLTXSJSLQ-ZDUSSCGKSA-N 1 0 337.380 0.677 20 5 ECBDRO C[C@H](O)COC(=O)CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000375636467 301193492 /nfs/dbraw/zinc/19/34/92/301193492.db2.gz UTVINGJQLQQZCL-NSHDSACASA-N 1 0 326.353 0.742 20 5 ECBDRO C[NH+](C)[C@@H](CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000080402233 436320906 /nfs/dbraw/zinc/32/09/06/436320906.db2.gz WGJCUTZNECNHRC-AWEZNQCLSA-N 1 0 334.376 0.781 20 5 ECBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H](O)CN1CCOCC1 ZINC000083245769 436369983 /nfs/dbraw/zinc/36/99/83/436369983.db2.gz IYLMRXVACJSMBC-HNNXBMFYSA-N 1 0 339.392 0.599 20 5 ECBDRO C[C@@H]1C[N@@H+](CCCNC(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000051353194 436487704 /nfs/dbraw/zinc/48/77/04/436487704.db2.gz AZXFCHYEKBVKDJ-TXEJJXNPSA-N 1 0 325.369 0.407 20 5 ECBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000535834986 302130371 /nfs/dbraw/zinc/13/03/71/302130371.db2.gz BKSCDFICSNPRFY-LLVKDONJSA-N 1 0 327.385 0.459 20 5 ECBDRO C[NH+]1CCC(CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000116883564 436653558 /nfs/dbraw/zinc/65/35/58/436653558.db2.gz JKCZLPQATPBKBL-UHFFFAOYSA-N 1 0 328.394 0.996 20 5 ECBDRO CC(C)C[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])C(=O)NCC[NH+](C)C ZINC000549196610 302337330 /nfs/dbraw/zinc/33/73/30/302337330.db2.gz HOMJWPXUCSNLNY-NSHDSACASA-N 1 0 340.384 0.140 20 5 ECBDRO CC(C)C(=O)NCC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000550085566 302343612 /nfs/dbraw/zinc/34/36/12/302343612.db2.gz NAWCEXWMRNKNLQ-CYBMUJFWSA-N 1 0 325.365 0.696 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1=CC[N@H+](C)CC1 ZINC000271881546 436696381 /nfs/dbraw/zinc/69/63/81/436696381.db2.gz LPPCTGQGTSYIMZ-UHFFFAOYSA-N 1 0 348.359 0.920 20 5 ECBDRO CCCc1n[nH]c(C(=O)NCCC[NH+]2CCC(O)CC2)c1[N+](=O)[O-] ZINC000119272229 436665747 /nfs/dbraw/zinc/66/57/47/436665747.db2.gz OWGDXHFNECPINW-UHFFFAOYSA-N 1 0 339.396 0.847 20 5 ECBDRO C[NH+]1CCC([C@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C2)CC1 ZINC000270077221 436670919 /nfs/dbraw/zinc/67/09/19/436670919.db2.gz HYYWYQDLTBKQPN-AWEZNQCLSA-N 1 0 348.403 0.947 20 5 ECBDRO COCC[NH2+]CCNC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000237348023 436730719 /nfs/dbraw/zinc/73/07/19/436730719.db2.gz YEMRJZVKFNLNBZ-UHFFFAOYSA-N 1 0 348.363 0.450 20 5 ECBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NCC1CC[NH+](CCO)CC1 ZINC000160531549 436873856 /nfs/dbraw/zinc/87/38/56/436873856.db2.gz ZJKQLHMCBVAKSO-UHFFFAOYSA-N 1 0 325.369 0.002 20 5 ECBDRO C[C@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000249601794 436824970 /nfs/dbraw/zinc/82/49/70/436824970.db2.gz YODXPWAKSLADKN-UONOGXRCSA-N 1 0 339.392 0.333 20 5 ECBDRO Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000274429595 436825048 /nfs/dbraw/zinc/82/50/48/436825048.db2.gz NILVJMAAWPKIGE-RISCZKNCSA-N 1 0 334.376 0.971 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](CCCO)Cc2ccccn2)c1 ZINC000280696234 436913229 /nfs/dbraw/zinc/91/32/29/436913229.db2.gz ADLVPUSVRVRMJY-OAHLLOKOSA-N 1 0 335.364 0.432 20 5 ECBDRO Cc1cc(OCC(=O)NC[C@@](C)(O)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000280836929 436925007 /nfs/dbraw/zinc/92/50/07/436925007.db2.gz PWZKBPQVTCDVLR-OAHLLOKOSA-N 1 0 325.365 0.711 20 5 ECBDRO Cc1c(C(=O)N[C@H]2CCC[NH2+]C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000261928948 436896169 /nfs/dbraw/zinc/89/61/69/436896169.db2.gz CGDIRDSZISSTDX-VIFPVBQESA-N 1 0 342.377 0.032 20 5 ECBDRO C[C@@H]1C[NH2+]CCN1C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000261927397 436896301 /nfs/dbraw/zinc/89/63/01/436896301.db2.gz BKFXMVOESIWKMX-SECBINFHSA-N 1 0 338.389 0.606 20 5 ECBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000263054589 436950550 /nfs/dbraw/zinc/95/05/50/436950550.db2.gz GPIGGXRRNXKZKB-CMPLNLGQSA-N 1 0 348.359 0.434 20 5 ECBDRO COc1ccc(S(=O)(=O)NCC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000171635610 436983259 /nfs/dbraw/zinc/98/32/59/436983259.db2.gz LVXSIXGQEFMWMC-JTQLQIEISA-N 1 0 329.378 0.881 20 5 ECBDRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000298341167 437036298 /nfs/dbraw/zinc/03/62/98/437036298.db2.gz DVXYRSJSPFFBIL-UHFFFAOYSA-N 1 0 338.364 0.272 20 5 ECBDRO CN1CCO[C@@H]2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000284139230 437044299 /nfs/dbraw/zinc/04/42/99/437044299.db2.gz PSUQHVLZUHSNQQ-HUUCEWRRSA-N 1 0 335.360 0.905 20 5 ECBDRO NC(=O)CC[C@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000173625053 437058325 /nfs/dbraw/zinc/05/83/25/437058325.db2.gz ICZSUBJBDSQVIO-DGCLKSJQSA-N 1 0 325.369 0.130 20 5 ECBDRO COC(=O)CNC(=O)c1ccc(NC[C@@H](C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000298442589 437037496 /nfs/dbraw/zinc/03/74/96/437037496.db2.gz DDHUGRJFGZGHSZ-SNVBAGLBSA-N 1 0 338.364 0.860 20 5 ECBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000264780448 437083308 /nfs/dbraw/zinc/08/33/08/437083308.db2.gz RVKDYZKDLJBUDV-NSHDSACASA-N 1 0 332.364 0.447 20 5 ECBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000299515675 437085591 /nfs/dbraw/zinc/08/55/91/437085591.db2.gz NVBVDPBBYOXBIM-OLZOCXBDSA-N 1 0 336.392 0.993 20 5 ECBDRO COC(=O)CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H]1CCCO1 ZINC000174864303 437089393 /nfs/dbraw/zinc/08/93/93/437089393.db2.gz VQYQERBMAPUACZ-CYBMUJFWSA-N 1 0 326.353 0.835 20 5 ECBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000276376646 437095992 /nfs/dbraw/zinc/09/59/92/437095992.db2.gz PIMDBCOQIDSUKG-ZDUSSCGKSA-N 1 0 335.364 0.247 20 5 ECBDRO CCOC(=O)c1ccnc(NCCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000265615657 437161221 /nfs/dbraw/zinc/16/12/21/437161221.db2.gz WCNDPTKLZUCTGE-UHFFFAOYSA-N 1 0 337.380 0.826 20 5 ECBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000331583237 437124892 /nfs/dbraw/zinc/12/48/92/437124892.db2.gz BDCBDQZNZABZFW-UHFFFAOYSA-N 1 0 336.396 0.957 20 5 ECBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000276556487 437128066 /nfs/dbraw/zinc/12/80/66/437128066.db2.gz RFHNUWFYUHZKOJ-GFCCVEGCSA-N 1 0 334.376 0.971 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000316961298 437190778 /nfs/dbraw/zinc/19/07/78/437190778.db2.gz HPAURHXIWZUMSS-GFCCVEGCSA-N 1 0 328.394 0.167 20 5 ECBDRO CC[NH+]1CCN(CCCNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000178165890 437208292 /nfs/dbraw/zinc/20/82/92/437208292.db2.gz UHHKIHIHTDFNII-UHFFFAOYSA-N 1 0 335.408 0.934 20 5 ECBDRO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000178531213 437218403 /nfs/dbraw/zinc/21/84/03/437218403.db2.gz YKWNAETVHSSBEJ-YPMHNXCESA-N 1 0 340.380 0.816 20 5 ECBDRO C[NH+](C)CC(=O)N1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178856768 437234936 /nfs/dbraw/zinc/23/49/36/437234936.db2.gz BTYFHDLVGFQLMQ-OAHLLOKOSA-N 1 0 336.392 0.334 20 5 ECBDRO C[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000178952386 437242882 /nfs/dbraw/zinc/24/28/82/437242882.db2.gz YRKWWYWWVWWFIW-UHFFFAOYSA-N 1 0 329.378 0.976 20 5 ECBDRO CS[C@@H]1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000278122362 437283810 /nfs/dbraw/zinc/28/38/10/437283810.db2.gz SSRYLVVWUXAHPL-WDEREUQCSA-N 1 0 326.378 0.813 20 5 ECBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000288134808 437284219 /nfs/dbraw/zinc/28/42/19/437284219.db2.gz BDJHWVRWZNROCC-GFCCVEGCSA-N 1 0 325.369 0.144 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000288141365 437284631 /nfs/dbraw/zinc/28/46/31/437284631.db2.gz BMLTZYUUJLFLPY-ZDUSSCGKSA-N 1 0 339.396 0.453 20 5 ECBDRO CC(=O)N1CCN(C(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180401459 437289723 /nfs/dbraw/zinc/28/97/23/437289723.db2.gz CXTDIPWQOKYDHW-LBPRGKRZSA-N 1 0 334.376 0.936 20 5 ECBDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])cnc2N)C[C@H](C)O1 ZINC000180512962 437292403 /nfs/dbraw/zinc/29/24/03/437292403.db2.gz ZTEUBWPAAHYTPW-PHIMTYICSA-N 1 0 337.380 0.801 20 5 ECBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000267990133 437350049 /nfs/dbraw/zinc/35/00/49/437350049.db2.gz PWUSULURLBHBDO-ZDUSSCGKSA-N 1 0 341.412 0.963 20 5 ECBDRO NC(=O)C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000181988840 437334411 /nfs/dbraw/zinc/33/44/11/437334411.db2.gz FROISPFASZGMBO-KBPBESRZSA-N 1 0 339.396 0.566 20 5 ECBDRO NS(=O)(=O)c1cccc(N2CCC[N@@H+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000183850016 437392684 /nfs/dbraw/zinc/39/26/84/437392684.db2.gz IHUMVLDQFJYCFB-UHFFFAOYSA-N 1 0 340.405 0.917 20 5 ECBDRO C[NH2+]C[C@@H]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000269184694 437464953 /nfs/dbraw/zinc/46/49/53/437464953.db2.gz SHRUQGUGEAESPB-LBPRGKRZSA-N 1 0 334.376 0.783 20 5 ECBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000330940443 437654131 /nfs/dbraw/zinc/65/41/31/437654131.db2.gz CLUGQEVQZACQGV-VXGBXAGGSA-N 1 0 338.412 0.990 20 5 ECBDRO C[N@@H+]1CC[C@@]2(CCN(c3cc([N+](=O)[O-])ccc3S(N)(=O)=O)C2)C1 ZINC000292329139 437681540 /nfs/dbraw/zinc/68/15/40/437681540.db2.gz PHEZCBGWSOWQBW-CQSZACIVSA-N 1 0 340.405 0.774 20 5 ECBDRO COc1ccc(C(=O)N2CCN(CC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000192821582 437692471 /nfs/dbraw/zinc/69/24/71/437692471.db2.gz LNQUYRJYNYNDTG-UHFFFAOYSA-N 1 0 336.392 0.923 20 5 ECBDRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000193278105 437706174 /nfs/dbraw/zinc/70/61/74/437706174.db2.gz QBWLEYFLHZXERZ-MRVPVSSYSA-N 1 0 335.357 0.876 20 5 ECBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC1(C)CC[NH2+]CC1 ZINC000193355329 437709773 /nfs/dbraw/zinc/70/97/73/437709773.db2.gz XNWKHFAUDVUYPG-LLVKDONJSA-N 1 0 334.376 0.971 20 5 ECBDRO COc1ccc(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000415556792 437819930 /nfs/dbraw/zinc/81/99/30/437819930.db2.gz IPWPBBUUDUEBPE-UWVGGRQHSA-N 1 0 336.348 0.751 20 5 ECBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000370709714 437822247 /nfs/dbraw/zinc/82/22/47/437822247.db2.gz UHCNMLRSRXTXQU-AEGPPILISA-N 1 0 348.407 0.917 20 5 ECBDRO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1 ZINC000356750242 437823538 /nfs/dbraw/zinc/82/35/38/437823538.db2.gz ZZFZLYMOGFDIKV-UHFFFAOYSA-N 1 0 334.336 0.304 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000363391345 437786211 /nfs/dbraw/zinc/78/62/11/437786211.db2.gz QUMORIXPWBXTCO-GFCCVEGCSA-N 1 0 334.376 0.890 20 5 ECBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000415444817 437804745 /nfs/dbraw/zinc/80/47/45/437804745.db2.gz DSJGKSGAGRSMTC-LBPRGKRZSA-N 1 0 336.348 0.786 20 5 ECBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415671489 437838332 /nfs/dbraw/zinc/83/83/32/437838332.db2.gz JVFSQYMLIIYANG-DTORHVGOSA-N 1 0 338.751 0.865 20 5 ECBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000416303313 437914294 /nfs/dbraw/zinc/91/42/94/437914294.db2.gz XQXAEOLLPCAKLC-VXGBXAGGSA-N 1 0 325.369 0.095 20 5 ECBDRO C[C@H](C[NH3+])NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000347654913 437926135 /nfs/dbraw/zinc/92/61/35/437926135.db2.gz UNALDRGHFMPGFP-BDAKNGLRSA-N 1 0 326.378 0.724 20 5 ECBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000357041426 437893974 /nfs/dbraw/zinc/89/39/74/437893974.db2.gz FEOWVQPMVRUXDM-LLVKDONJSA-N 1 0 337.380 0.559 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416296615 437907776 /nfs/dbraw/zinc/90/77/76/437907776.db2.gz OHEDDPLOWMPDDL-VXGBXAGGSA-N 1 0 339.396 0.403 20 5 ECBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000371286428 437912155 /nfs/dbraw/zinc/91/21/55/437912155.db2.gz CXQIJXPRUQSCKF-CQSZACIVSA-N 1 0 338.433 0.880 20 5 ECBDRO CN(CCCN1CC[NH+](C)CC1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357232787 437939578 /nfs/dbraw/zinc/93/95/78/437939578.db2.gz IRMPQDAIGYXJOI-UHFFFAOYSA-N 1 0 336.396 0.162 20 5 ECBDRO O=C(C[C@H]1COCC[NH2+]1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000357246607 437945214 /nfs/dbraw/zinc/94/52/14/437945214.db2.gz YJCAMDBCFCUQDB-NEPJUHHUSA-N 1 0 335.364 0.381 20 5 ECBDRO NS(=O)(=O)[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000357394574 437978258 /nfs/dbraw/zinc/97/82/58/437978258.db2.gz WMEGPQIIXUKMED-ZDUSSCGKSA-N 1 0 329.378 0.727 20 5 ECBDRO CNC(=O)c1ccc(N(C)C2CC[NH+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000357613450 438023477 /nfs/dbraw/zinc/02/34/77/438023477.db2.gz MYCYSKBYGNHXEU-UHFFFAOYSA-N 1 0 336.392 0.847 20 5 ECBDRO COc1ccc(CNC(=O)NC[C@@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000417204091 438033326 /nfs/dbraw/zinc/03/33/26/438033326.db2.gz ZSPWGBRKLXDRSQ-LBPRGKRZSA-N 1 0 337.380 0.306 20 5 ECBDRO NC(=O)c1ccnc(N2CC[NH+](CC3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000357494384 437999594 /nfs/dbraw/zinc/99/95/94/437999594.db2.gz XETLPTJUJFZQIB-UHFFFAOYSA-N 1 0 349.391 0.637 20 5 ECBDRO C[C@H](CC[NH3+])NC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000418014010 438102581 /nfs/dbraw/zinc/10/25/81/438102581.db2.gz CEZKNPMOYLQRLP-SNVBAGLBSA-N 1 0 344.393 0.405 20 5 ECBDRO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000372279622 438062493 /nfs/dbraw/zinc/06/24/93/438062493.db2.gz AIUDNJIFJAITLR-DGCLKSJQSA-N 1 0 326.353 0.834 20 5 ECBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000358038596 438126883 /nfs/dbraw/zinc/12/68/83/438126883.db2.gz BGIWJINYOQDPMM-INIZCTEOSA-N 1 0 334.376 0.966 20 5 ECBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000358053821 438135215 /nfs/dbraw/zinc/13/52/15/438135215.db2.gz JBNOMDIMTFNFBZ-QGZVFWFLSA-N 1 0 348.403 0.991 20 5 ECBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000358062282 438136581 /nfs/dbraw/zinc/13/65/81/438136581.db2.gz HGNSVZQYOVOBMW-MRXNPFEDSA-N 1 0 330.344 0.939 20 5 ECBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCO[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000367169948 438176905 /nfs/dbraw/zinc/17/69/05/438176905.db2.gz GPACIIBGUCRJTD-OLZOCXBDSA-N 1 0 327.362 0.097 20 5 ECBDRO C[C@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000418782285 438188178 /nfs/dbraw/zinc/18/81/78/438188178.db2.gz MYZTUANBBRAWJK-UHIISALHSA-N 1 0 334.376 0.968 20 5 ECBDRO Cc1ccc(C)c(S(=O)(=O)N2CCO[C@H]3C[NH2+]C[C@H]32)c1[N+](=O)[O-] ZINC000366983780 438151161 /nfs/dbraw/zinc/15/11/61/438151161.db2.gz SPUJBBOJBYYFMJ-NEPJUHHUSA-N 1 0 341.389 0.573 20 5 ECBDRO NS(=O)(=O)C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000367096140 438165350 /nfs/dbraw/zinc/16/53/50/438165350.db2.gz HYSGWXLGTAUHFU-UHFFFAOYSA-N 1 0 329.378 0.727 20 5 ECBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000418917027 438247113 /nfs/dbraw/zinc/24/71/13/438247113.db2.gz ANXVGJQWJGPDCZ-ZFWWWQNUSA-N 1 0 348.403 0.887 20 5 ECBDRO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000418868021 438227161 /nfs/dbraw/zinc/22/71/61/438227161.db2.gz MVRHWNSTNSXJQL-AWEZNQCLSA-N 1 0 334.376 0.593 20 5 ECBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000418917026 438246926 /nfs/dbraw/zinc/24/69/26/438246926.db2.gz ANXVGJQWJGPDCZ-UKRRQHHQSA-N 1 0 348.403 0.887 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358672284 438275396 /nfs/dbraw/zinc/27/53/96/438275396.db2.gz VJLHXRLMIXGOKC-OAHLLOKOSA-N 1 0 338.364 0.469 20 5 ECBDRO C[NH+](C)Cc1ccc(N2CCN(C(=O)[C@H]3C[C@@H]3[N+](=O)[O-])CC2)nc1 ZINC000377673262 438322273 /nfs/dbraw/zinc/32/22/73/438322273.db2.gz XBRXBNXPJYOWAW-KBPBESRZSA-N 1 0 333.392 0.457 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000389903751 438429619 /nfs/dbraw/zinc/42/96/19/438429619.db2.gz OROPJEYZWBNKLW-GFCCVEGCSA-N 1 0 329.378 0.560 20 5 ECBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420453571 438409319 /nfs/dbraw/zinc/40/93/19/438409319.db2.gz KOKRVVYGMGONLS-CYBMUJFWSA-N 1 0 343.405 0.868 20 5 ECBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420453881 438409332 /nfs/dbraw/zinc/40/93/32/438409332.db2.gz KOKRVVYGMGONLS-ZDUSSCGKSA-N 1 0 343.405 0.868 20 5 ECBDRO COC(=O)CC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421035011 438465209 /nfs/dbraw/zinc/46/52/09/438465209.db2.gz YWXFYJSBQJQVOH-UHFFFAOYSA-N 1 0 345.377 0.368 20 5 ECBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405488534 438469674 /nfs/dbraw/zinc/46/96/74/438469674.db2.gz OPVGYBLVSIJMHW-QWHCGFSZSA-N 1 0 337.401 0.964 20 5 ECBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000423230559 438651337 /nfs/dbraw/zinc/65/13/37/438651337.db2.gz JLINBEOGZLGCLB-DYVFJYSZSA-N 1 0 344.371 0.631 20 5 ECBDRO COCCC[N@H+](C)CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443782144 438654837 /nfs/dbraw/zinc/65/48/37/438654837.db2.gz WNBBMTIUQOXZRF-UHFFFAOYSA-N 1 0 345.421 0.983 20 5 ECBDRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000494721462 438706554 /nfs/dbraw/zinc/70/65/54/438706554.db2.gz MCOITIVGVHGMJJ-ZDUSSCGKSA-N 1 0 343.405 0.987 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H](CO)Cc2cccnc2)c1 ZINC000574813263 438721408 /nfs/dbraw/zinc/72/14/08/438721408.db2.gz WIJHMKLBRNQLBS-GOEBONIOSA-N 1 0 347.371 0.923 20 5 ECBDRO C[N@H+](CCCO)C1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000548417257 438728282 /nfs/dbraw/zinc/72/82/82/438728282.db2.gz LRYRFEGCCUEWNL-UHFFFAOYSA-N 1 0 337.380 0.491 20 5 ECBDRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000575174861 438741053 /nfs/dbraw/zinc/74/10/53/438741053.db2.gz WYMVUIBXCWOPJN-RYUDHWBXSA-N 1 0 346.405 0.747 20 5 ECBDRO CCn1cc(S(=O)(=O)N[C@H]2CCC[C@@H]2[NH+](C)C)c([N+](=O)[O-])n1 ZINC000414460135 438707204 /nfs/dbraw/zinc/70/72/04/438707204.db2.gz CFHPAQLWRNLANB-UWVGGRQHSA-N 1 0 331.398 0.572 20 5 ECBDRO Nc1cc(N2CC[NH+](C3CCOCC3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000587990708 438811168 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1 0 349.391 0.051 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000589930343 438893068 /nfs/dbraw/zinc/89/30/68/438893068.db2.gz WNJSYQLDCBXNMB-ZWNOBZJWSA-N 1 0 341.389 0.928 20 5 ECBDRO C[C@@]1(NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[NH2+]C1 ZINC000595990735 438908927 /nfs/dbraw/zinc/90/89/27/438908927.db2.gz DQBOJXYJPNOSCK-CQSZACIVSA-N 1 0 338.389 0.654 20 5 ECBDRO CCn1cc(S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F)c([N+](=O)[O-])n1 ZINC000596052551 438919313 /nfs/dbraw/zinc/91/93/13/438919313.db2.gz USMOOKCQEMCEME-SSDOTTSWSA-N 1 0 345.303 0.321 20 5 ECBDRO Cc1noc(CN2C(=O)N[C@]3(CCCC[C@@H]3C[NH3+])C2=O)c1[N+](=O)[O-] ZINC000596071910 438923082 /nfs/dbraw/zinc/92/30/82/438923082.db2.gz VVVZHRVYEMNRNT-OTYXRUKQSA-N 1 0 337.336 0.831 20 5 ECBDRO NC(=O)c1cc(N2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000596152306 438933274 /nfs/dbraw/zinc/93/32/74/438933274.db2.gz OVQJTGUWBACYGR-LBPRGKRZSA-N 1 0 334.376 0.852 20 5 ECBDRO Nc1ccc(N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)nc1[N+](=O)[O-] ZINC000596260421 438946246 /nfs/dbraw/zinc/94/62/46/438946246.db2.gz GXSMUIHSNBAKBH-LLVKDONJSA-N 1 0 334.380 0.363 20 5 ECBDRO CN(CCC[NH+](C)C)CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000596425165 438960149 /nfs/dbraw/zinc/96/01/49/438960149.db2.gz NYBKIDMXZWYNQF-UHFFFAOYSA-N 1 0 348.407 1.539 20 5 ECBDRO CCc1nncn1CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578881511 438962515 /nfs/dbraw/zinc/96/25/15/438962515.db2.gz UPWMQTGVNYEHSJ-CYBMUJFWSA-N 1 0 335.364 0.778 20 5 ECBDRO O=C(NCC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000578880517 438963528 /nfs/dbraw/zinc/96/35/28/438963528.db2.gz HFNVVKCTHLZVPQ-GFCCVEGCSA-N 1 0 349.343 0.947 20 5 ECBDRO CC1(C)Cc2n[nH]cc2C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000596598425 438979567 /nfs/dbraw/zinc/97/95/67/438979567.db2.gz FRJGJMQFKCVLAO-ZDUSSCGKSA-N 1 0 334.380 0.960 20 5 ECBDRO CN1CCN(C)[C@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000579104042 438980811 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1 0 327.385 0.703 20 5 ECBDRO NC(=O)c1cccc([N+](=O)[O-])c1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000591459300 439016611 /nfs/dbraw/zinc/01/66/11/439016611.db2.gz PPONDJJPNCRYER-OCCSQVGLSA-N 1 0 334.376 0.729 20 5 ECBDRO Cc1ccc(C[C@H](CO)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000566230910 439029400 /nfs/dbraw/zinc/02/94/00/439029400.db2.gz GKMYBIZRTVDKET-GDBMZVCRSA-N 1 0 334.376 0.654 20 5 ECBDRO CN1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000566301297 439038869 /nfs/dbraw/zinc/03/88/69/439038869.db2.gz WRVCGIPBLYHRAL-SECBINFHSA-N 1 0 348.812 0.512 20 5 ECBDRO Cn1cc(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c([N+](=O)[O-])n1 ZINC000602463954 439090427 /nfs/dbraw/zinc/09/04/27/439090427.db2.gz YCCQUQUQRXMAIZ-HNNXBMFYSA-N 1 0 336.440 0.930 20 5 ECBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CN1c2cc([N+](=O)[O-])ccc2OCC1=O ZINC000580656060 439117645 /nfs/dbraw/zinc/11/76/45/439117645.db2.gz HWRGGBKTLQZFRQ-QWRGUYRKSA-N 1 0 348.359 0.658 20 5 ECBDRO CO[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000591769528 439082031 /nfs/dbraw/zinc/08/20/31/439082031.db2.gz MNJPHLXUCVAINR-CVEARBPZSA-N 1 0 334.376 1.000 20 5 ECBDRO O=C(NCC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccn[nH]1 ZINC000591758748 439083157 /nfs/dbraw/zinc/08/31/57/439083157.db2.gz DKGCEATYMSXVIU-NSHDSACASA-N 1 0 349.347 0.077 20 5 ECBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000486926648 439122683 /nfs/dbraw/zinc/12/26/83/439122683.db2.gz JBDKLIYCHOSYKT-AWEZNQCLSA-N 1 0 331.319 0.844 20 5 ECBDRO C[NH+](C)C[C@](C)(O)CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000486926650 439123044 /nfs/dbraw/zinc/12/30/44/439123044.db2.gz JBDKLIYCHOSYKT-CQSZACIVSA-N 1 0 331.319 0.844 20 5 ECBDRO CNc1ccc(C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)cc1[N+](=O)[O-] ZINC000521998269 439136414 /nfs/dbraw/zinc/13/64/14/439136414.db2.gz IYMGWNFXFIFPFE-UHFFFAOYSA-N 1 0 346.351 0.417 20 5 ECBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000602816304 439139414 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343.405 0.894 20 5 ECBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NC1C[NH2+]C1 ZINC000592368420 439212530 /nfs/dbraw/zinc/21/25/30/439212530.db2.gz IUXZMKJQAYEZCW-UHFFFAOYSA-N 1 0 325.268 0.864 20 5 ECBDRO NS(=O)(=O)c1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c(F)c1 ZINC000592365761 439212649 /nfs/dbraw/zinc/21/26/49/439212649.db2.gz ANPIBGRGEZLCTM-UHFFFAOYSA-N 1 0 343.340 0.368 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000592375893 439214310 /nfs/dbraw/zinc/21/43/10/439214310.db2.gz SBFYYLZBZIDPHL-VHSXEESVSA-N 1 0 329.378 0.974 20 5 ECBDRO C[NH2+][C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000592384724 439215748 /nfs/dbraw/zinc/21/57/48/439215748.db2.gz VPFHLYSVXXWRAG-JTQLQIEISA-N 1 0 329.378 0.976 20 5 ECBDRO CCC(=O)N1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000525783027 439216688 /nfs/dbraw/zinc/21/66/88/439216688.db2.gz VBFPZYDSRJFIGL-CYBMUJFWSA-N 1 0 325.369 0.097 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC2(CO)CCOCC2)c1 ZINC000581489436 439217778 /nfs/dbraw/zinc/21/77/78/439217778.db2.gz XWLSNPMTYZYNTR-AWEZNQCLSA-N 1 0 340.376 0.713 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000592387243 439217783 /nfs/dbraw/zinc/21/77/83/439217783.db2.gz BLFPKXRYGDXEKB-VHSXEESVSA-N 1 0 329.378 0.880 20 5 ECBDRO C[NH+](C)CCC[C@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CCO1 ZINC000598540359 439276571 /nfs/dbraw/zinc/27/65/71/439276571.db2.gz ODCQRWXELSNNQF-NSHDSACASA-N 1 0 337.380 0.755 20 5 ECBDRO C[NH+](C)CCC[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CCO1 ZINC000598540522 439277077 /nfs/dbraw/zinc/27/70/77/439277077.db2.gz OSPGLRMUKPXOBI-LBPRGKRZSA-N 1 0 325.369 0.361 20 5 ECBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000592534649 439245073 /nfs/dbraw/zinc/24/50/73/439245073.db2.gz FNHPYWAUWQPPNZ-FICVDOATSA-N 1 0 344.371 0.345 20 5 ECBDRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000592554444 439253497 /nfs/dbraw/zinc/25/34/97/439253497.db2.gz UBPYQEQOBOZJOV-ZDUSSCGKSA-N 1 0 336.348 0.370 20 5 ECBDRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)NCCn3cc([N+](=O)[O-])cn3)c21 ZINC000592564641 439254825 /nfs/dbraw/zinc/25/48/25/439254825.db2.gz NCBRYRVEMKBMJM-JTQLQIEISA-N 1 0 333.352 0.254 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000603423992 439260007 /nfs/dbraw/zinc/26/00/07/439260007.db2.gz UBXPUWPCBZJFAB-CYBMUJFWSA-N 1 0 338.412 0.537 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])n1 ZINC000490522732 439271302 /nfs/dbraw/zinc/27/13/02/439271302.db2.gz BZWGVAGZIJEABK-ZDUSSCGKSA-N 1 0 343.409 0.528 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000604533314 439318122 /nfs/dbraw/zinc/31/81/22/439318122.db2.gz ULXXYPIFHOXSKB-UHFFFAOYSA-N 1 0 335.368 0.887 20 5 ECBDRO O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000582410600 439332806 /nfs/dbraw/zinc/33/28/06/439332806.db2.gz FSEDXQWFZGQMSG-INIZCTEOSA-N 1 0 332.360 0.423 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(Cn3cnnc3)CC2)c1 ZINC000593076268 439337413 /nfs/dbraw/zinc/33/74/13/439337413.db2.gz KTJQWPKTDBFBEK-AWEZNQCLSA-N 1 0 335.368 0.156 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC[C@H](O)C[NH+]1CCCC1 ZINC000582063254 439286035 /nfs/dbraw/zinc/28/60/35/439286035.db2.gz VRXCMNVLPDRDKM-KBPBESRZSA-N 1 0 339.392 0.381 20 5 ECBDRO O=C1NC2(CC[NH2+]CC2)C(=O)N1CCOc1ccc([N+](=O)[O-])cc1 ZINC000568877872 439286331 /nfs/dbraw/zinc/28/63/31/439286331.db2.gz DXXBCOLQVWWEJA-UHFFFAOYSA-N 1 0 334.332 0.648 20 5 ECBDRO C[NH2+][C@H]1CCCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598661227 439299011 /nfs/dbraw/zinc/29/90/11/439299011.db2.gz DVXWJJUQPSNLPI-LBPRGKRZSA-N 1 0 335.364 0.927 20 5 ECBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598666202 439300341 /nfs/dbraw/zinc/30/03/41/439300341.db2.gz VSVWQWACHPIJNK-WDEREUQCSA-N 1 0 335.364 0.925 20 5 ECBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCOC[C@H]2O)cc1[N+](=O)[O-] ZINC000599011546 439344650 /nfs/dbraw/zinc/34/46/50/439344650.db2.gz KVMIYDCHCSCDME-DGCLKSJQSA-N 1 0 340.332 0.386 20 5 ECBDRO C[NH2+]CCOCCN(C)S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000599106242 439358810 /nfs/dbraw/zinc/35/88/10/439358810.db2.gz CSICGWFMSDJKIU-UHFFFAOYSA-N 1 0 347.393 0.460 20 5 ECBDRO CN1C[C@H]([NH2+][C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CCC1=O ZINC000582733733 439374218 /nfs/dbraw/zinc/37/42/18/439374218.db2.gz LSYUIHOEKFZTGA-ZWNOBZJWSA-N 1 0 346.343 0.437 20 5 ECBDRO CC[C@@H]([NH3+])C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000582961480 439401799 /nfs/dbraw/zinc/40/17/99/439401799.db2.gz GBPUPQYSPVGTLD-SNVBAGLBSA-N 1 0 344.393 0.264 20 5 ECBDRO [NH3+]C[C@H]1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000570333015 439410591 /nfs/dbraw/zinc/41/05/91/439410591.db2.gz HRKLGZJSIQIHES-LBPRGKRZSA-N 1 0 329.378 0.028 20 5 ECBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599288319 439419606 /nfs/dbraw/zinc/41/96/06/439419606.db2.gz RFMUFDIJXHNQGP-GHMZBOCLSA-N 1 0 345.425 0.727 20 5 ECBDRO CNc1ccc(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc1[N+](=O)[O-] ZINC000593784112 439465721 /nfs/dbraw/zinc/46/57/21/439465721.db2.gz IYNALVFPPMCALW-UHFFFAOYSA-N 1 0 349.391 0.483 20 5 ECBDRO C[N@@H+]1CC[C@@H]2CN(c3cccc([N+](=O)[O-])c3S(N)(=O)=O)C[C@@H]21 ZINC000571256185 439486428 /nfs/dbraw/zinc/48/64/28/439486428.db2.gz OEKCTCHMJMFGPU-SKDRFNHKSA-N 1 0 326.378 0.383 20 5 ECBDRO C[C@H](NC(=O)NCC(=O)N1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000583613874 439487094 /nfs/dbraw/zinc/48/70/94/439487094.db2.gz WSKNMLOSUUOYNZ-NSHDSACASA-N 1 0 335.364 0.387 20 5 ECBDRO O=C(NC[C@H]1CCC[NH2+]C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000571657931 439520615 /nfs/dbraw/zinc/52/06/15/439520615.db2.gz RRUYDAPZQQSOIG-ZDUSSCGKSA-N 1 0 348.407 0.821 20 5 ECBDRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000583921712 439526048 /nfs/dbraw/zinc/52/60/48/439526048.db2.gz FUJHSANAXXBAMN-AWEZNQCLSA-N 1 0 334.376 0.812 20 5 ECBDRO C[NH+]1CCC2(CC1)CN(C(=O)c1ccnc(N)c1[N+](=O)[O-])CCO2 ZINC000594371817 439549338 /nfs/dbraw/zinc/54/93/38/439549338.db2.gz NGMRSAQMFSQXPV-UHFFFAOYSA-N 1 0 335.364 0.509 20 5 ECBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000572137224 439560825 /nfs/dbraw/zinc/56/08/25/439560825.db2.gz MOVRYACAWXGLMR-DGCLKSJQSA-N 1 0 334.376 0.797 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594056664 439512592 /nfs/dbraw/zinc/51/25/92/439512592.db2.gz TVMAEZFSCJVDEB-NWDGAFQWSA-N 1 0 336.348 0.886 20 5 ECBDRO COc1cccc(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599937082 439578947 /nfs/dbraw/zinc/57/89/47/439578947.db2.gz CWJKBBUKFMPAQQ-NWDGAFQWSA-N 1 0 335.360 0.885 20 5 ECBDRO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000572394458 439579144 /nfs/dbraw/zinc/57/91/44/439579144.db2.gz ALKYTSATNFQKBJ-YRGRVCCFSA-N 1 0 339.396 0.435 20 5 ECBDRO C[NH+](C)[C@H]1C[C@@H](CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000594592771 439579207 /nfs/dbraw/zinc/57/92/07/439579207.db2.gz WMAVKNOEWVEQBL-AOOOYVTPSA-N 1 0 328.394 0.994 20 5 ECBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000599937092 439579412 /nfs/dbraw/zinc/57/94/12/439579412.db2.gz DBVNJPZOPBLZHU-NWDGAFQWSA-N 1 0 349.343 0.605 20 5 ECBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000584832503 439619745 /nfs/dbraw/zinc/61/97/45/439619745.db2.gz BVNWEDOYDKJKMS-JTQLQIEISA-N 1 0 328.394 0.773 20 5 ECBDRO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000600071027 439609160 /nfs/dbraw/zinc/60/91/60/439609160.db2.gz TWPGCBOGRARLKN-GFCCVEGCSA-N 1 0 336.348 0.025 20 5 ECBDRO CCn1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000594800336 439616742 /nfs/dbraw/zinc/61/67/42/439616742.db2.gz CKWJBNHTRNHAKA-SNVBAGLBSA-N 1 0 345.425 0.962 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610614653 439630890 /nfs/dbraw/zinc/63/08/90/439630890.db2.gz IYGCKUNRJKZPNQ-TXEJJXNPSA-N 1 0 339.348 0.360 20 5 ECBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000573372729 439643375 /nfs/dbraw/zinc/64/33/75/439643375.db2.gz XEBIYJNBZIXBGF-QWRGUYRKSA-N 1 0 337.380 0.636 20 5 ECBDRO COc1cc(CN[C@@H]2CS(=O)(=O)C[C@H]2OC)c([N+](=O)[O-])cc1O ZINC000594964910 439644370 /nfs/dbraw/zinc/64/43/70/439644370.db2.gz CYNMUFNQCHQOQW-NOZJJQNGSA-N 1 0 346.361 0.211 20 5 ECBDRO O=C(COc1ccccc1[N+](=O)[O-])Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000573442366 439645942 /nfs/dbraw/zinc/64/59/42/439645942.db2.gz XUFHIQYVEZYVCR-UHFFFAOYSA-N 1 0 347.335 0.140 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC12CC(C1)C[NH2+]2 ZINC000595121532 439655681 /nfs/dbraw/zinc/65/56/81/439655681.db2.gz DACJASRFSLCJLU-UHFFFAOYSA-N 1 0 327.362 0.634 20 5 ECBDRO CC[C@H](CO)N1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000611023751 439667041 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O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848305519 589287651 /nfs/dbraw/zinc/28/76/51/589287651.db2.gz CJKRTPSHYOTCCA-VHSXEESVSA-N 1 0 349.372 0.491 20 5 ECBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000853965060 589566155 /nfs/dbraw/zinc/56/61/55/589566155.db2.gz DAORNXJRIJIRTE-CQSZACIVSA-N 1 0 348.403 0.990 20 5 ECBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000863319960 590003282 /nfs/dbraw/zinc/00/32/82/590003282.db2.gz BXKNEZXEADXGMQ-SECBINFHSA-N 1 0 337.361 0.396 20 5 ECBDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000863749818 590033712 /nfs/dbraw/zinc/03/37/12/590033712.db2.gz BZLIZKQAKWKGFD-GFCCVEGCSA-N 1 0 349.391 0.049 20 5 ECBDRO CN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCN2CCO[C@H]1C2 ZINC000295412266 611367054 /nfs/dbraw/zinc/36/70/54/611367054.db2.gz MUPISWDZYAFGJL-GJZGRUSLSA-N 1 0 334.376 0.938 20 5 ECBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923713545 611374566 /nfs/dbraw/zinc/37/45/66/611374566.db2.gz SPNKSBRSUNXWGS-VHSXEESVSA-N 1 0 329.353 0.964 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000915626539 609918538 /nfs/dbraw/zinc/91/85/38/609918538.db2.gz NUZXSESXKPXLJG-AWEZNQCLSA-N 1 0 337.380 0.551 20 5 ECBDRO C[C@@]1(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@@H](O)C[NH2+]1 ZINC000912001192 609926765 /nfs/dbraw/zinc/92/67/65/609926765.db2.gz OMZXSFHBXLXBHO-WBMJQRKESA-N 1 0 334.376 0.356 20 5 ECBDRO CC(C)(CO)[NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000916572374 609942691 /nfs/dbraw/zinc/94/26/91/609942691.db2.gz DNAHHLUBMSOXBA-UHFFFAOYSA-N 1 0 336.392 0.604 20 5 ECBDRO O=C(C1=CCC[NH2+]CC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000912364165 609951134 /nfs/dbraw/zinc/95/11/34/609951134.db2.gz GBQQOGSITWVICR-UHFFFAOYSA-N 1 0 331.376 0.948 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2CC[C@@H]([NH+]3CCC3)C2)ccc1[N+](=O)[O-] ZINC000912925737 610023531 /nfs/dbraw/zinc/02/35/31/610023531.db2.gz QXPHOKPOCUASCN-CQSZACIVSA-N 1 0 346.387 0.940 20 5 ECBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000929364222 611748611 /nfs/dbraw/zinc/74/86/11/611748611.db2.gz NCMPHCNADPXFOM-CYBMUJFWSA-N 1 0 337.380 0.423 20 5 ECBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000934043169 611765577 /nfs/dbraw/zinc/76/55/77/611765577.db2.gz GCGQZQZNLJVMFZ-UHFFFAOYSA-N 1 0 337.380 0.423 20 5 ECBDRO CN(C)/C=C/c1cc(N2CCN3CC[NH2+]C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164406675 718838803 /nfs/dbraw/zinc/83/88/03/718838803.db2.gz UDTRAYUPIFFDQY-KQIUPUNMSA-N 1 0 332.408 0.616 20 5 ECBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC001164668934 719481586 /nfs/dbraw/zinc/48/15/86/719481586.db2.gz RQMHWXZOBGPIIH-QWRGUYRKSA-N 1 0 336.352 0.171 20 5 ECBDRO CN(CCNC(=O)C[N@H+](C)C1CCC1)c1ncc([N+](=O)[O-])c(N)n1 ZINC001100386588 731487947 /nfs/dbraw/zinc/48/79/47/731487947.db2.gz IZJCKRZATDXDAW-UHFFFAOYSA-N 1 0 337.384 0.004 20 5 ECBDRO Cn1nncc1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001025763181 739928442 /nfs/dbraw/zinc/92/84/42/739928442.db2.gz LWIPDCZOXVRGQG-NHAGDIPZSA-N 1 0 342.359 0.584 20 5 ECBDRO C[NH+]1CCC(CC(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC000974111408 740950044 /nfs/dbraw/zinc/95/00/44/740950044.db2.gz NLHPCPLUZDDXJC-XJFOESAGSA-N 1 0 338.408 0.147 20 5 ECBDRO Cn1ccc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)c1 ZINC000983462229 743223343 /nfs/dbraw/zinc/22/33/43/743223343.db2.gz VVGATXZNKRTHCI-AULYBMBSSA-N 1 0 346.391 0.965 20 5 ECBDRO O=C(Cn1cncn1)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000997260653 743418312 /nfs/dbraw/zinc/41/83/12/743418312.db2.gz VMNLTGIODPWBGS-UHFFFAOYSA-N 1 0 344.375 0.967 20 5 ECBDRO COc1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1 ZINC000997771593 743801353 /nfs/dbraw/zinc/80/13/53/743801353.db2.gz IFLNCQFMKXCURE-ZIAGYGMSSA-N 1 0 349.391 0.479 20 5 ECBDRO CC(C)n1ncnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000983652460 744997453 /nfs/dbraw/zinc/99/74/53/744997453.db2.gz CVRUVHIARRBPMO-FDYHWXHSSA-N 1 0 336.396 0.509 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C[C@H]1C[C@H](NC(=O)c2cc[nH]c2)C1 ZINC000983736141 745136290 /nfs/dbraw/zinc/13/62/90/745136290.db2.gz HKRPQSYEFOTEGW-UMSPYCQHSA-N 1 0 332.364 0.955 20 5 ECBDRO Cn1ncc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC001020744483 752070955 /nfs/dbraw/zinc/07/09/55/752070955.db2.gz XJMIEQUSOIGAOF-HAQNSBGRSA-N 1 0 330.348 0.774 20 5 ECBDRO O=C(Cc1nc[nH]n1)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000985022141 747274912 /nfs/dbraw/zinc/27/49/12/747274912.db2.gz VKAGTANUJSDJBC-AULYBMBSSA-N 1 0 344.375 0.940 20 5 ECBDRO CC(=O)N1CC(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001126287150 750081854 /nfs/dbraw/zinc/08/18/54/750081854.db2.gz BOQFRIYQGIDSKZ-UHFFFAOYSA-N 1 0 326.378 0.340 20 5 ECBDRO CCc1nc[nH]c1C(=O)N[C@H]1C[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001020993534 752411474 /nfs/dbraw/zinc/41/14/74/752411474.db2.gz ZFOSUXCNAZRWCM-MGCOHNPYSA-N 1 0 347.379 0.664 20 5 ECBDRO O=C(NCC[NH2+]CCn1cc(-c2ccccc2)cn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936463 756759900 /nfs/dbraw/zinc/75/99/00/756759900.db2.gz JJYYOEKSMVHYMQ-HZPDHXFCSA-N 1 0 343.387 0.921 20 5 ECBDRO Cn1c(=O)oc2ccc(C[NH2+]CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc21 ZINC001126938892 756814721 /nfs/dbraw/zinc/81/47/21/756814721.db2.gz LTDKRMDNTGHCQE-GHMZBOCLSA-N 1 0 334.332 0.003 20 5 ECBDRO Cc1ccc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1F ZINC001126943093 756908901 /nfs/dbraw/zinc/90/89/01/756908901.db2.gz KVELPVHNXKDXQY-DGCLKSJQSA-N 1 0 338.339 0.444 20 5 ECBDRO COc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)ccn1 ZINC000996429669 757659446 /nfs/dbraw/zinc/65/94/46/757659446.db2.gz RWYCIVQFQJFCAK-ZIAGYGMSSA-N 1 0 334.376 0.836 20 5 ECBDRO Cn1ncc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)c1N ZINC001021997443 758147171 /nfs/dbraw/zinc/14/71/71/758147171.db2.gz YIYPDTLMKOITGU-TXEJJXNPSA-N 1 0 344.375 0.961 20 5 ECBDRO NC(=O)CC(=O)N1CC2(C1)CC[NH+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001050467652 760313706 /nfs/dbraw/zinc/31/37/06/760313706.db2.gz GYNYDPQJCOZCGA-UHFFFAOYSA-N 1 0 346.387 0.895 20 5 ECBDRO Cn1nnc2cc(C[NH+]3CC(CNC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)ccc21 ZINC001031662085 766380043 /nfs/dbraw/zinc/38/00/43/766380043.db2.gz UIRDHYJVNQOXCW-IUODEOHRSA-N 1 0 344.375 0.182 20 5 ECBDRO C[NH+](C)CCC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001060730743 771320305 /nfs/dbraw/zinc/32/03/05/771320305.db2.gz XSZKOBYJPAXKPD-AAVRWANBSA-N 1 0 340.424 0.395 20 5 ECBDRO O=C(Cn1cnnn1)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001019975831 772049127 /nfs/dbraw/zinc/04/91/27/772049127.db2.gz LGPHBUMMEOPGHL-MGCOHNPYSA-N 1 0 337.365 0.080 20 5 ECBDRO Cc1nc(C)c(C(=O)N[C@H]2C[C@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)o1 ZINC001020047232 772109363 /nfs/dbraw/zinc/10/93/63/772109363.db2.gz CFAPGTMUDCIWCB-XYPYZODXSA-N 1 0 348.363 0.984 20 5 ECBDRO CCc1nc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)co1 ZINC001020094033 772151199 /nfs/dbraw/zinc/15/11/99/772151199.db2.gz VQOCHMNESZSGPK-MGCOHNPYSA-N 1 0 348.363 0.929 20 5 ECBDRO Cn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)nn1 ZINC001020126168 772190119 /nfs/dbraw/zinc/19/01/19/772190119.db2.gz DQFUFBZGCCNJKI-HAQNSBGRSA-N 1 0 330.348 0.774 20 5 ECBDRO Cc1c[nH]nc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001020130747 772197669 /nfs/dbraw/zinc/19/76/69/772197669.db2.gz HRBMFVRWKOGJIP-MGCOHNPYSA-N 1 0 333.352 0.410 20 5 ECBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cn(CC3CC3)nn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020138912 772205674 /nfs/dbraw/zinc/20/56/74/772205674.db2.gz HSPCRDYNSKKLKV-HBJVGIJOSA-N 1 0 334.380 0.090 20 5 ECBDRO Cn1nc(C2CC2)nc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020139777 772207182 /nfs/dbraw/zinc/20/71/82/772207182.db2.gz MTFUBBYCSABHEM-DDHJBXDOSA-N 1 0 334.380 0.095 20 5 ECBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)CCc1ncccn1 ZINC001267444271 837426627 /nfs/dbraw/zinc/42/66/27/837426627.db2.gz WKNYMOIINMECLS-UHFFFAOYSA-N 1 0 347.379 0.299 20 5 ECBDRO Cc1ccc(C(=O)N(C)CC[NH2+]Cc2c([N+](=O)[O-])ncn2C)n1C ZINC001267345117 837229328 /nfs/dbraw/zinc/22/93/28/837229328.db2.gz FCMYBBWCONWHLM-UHFFFAOYSA-N 1 0 334.380 0.837 20 5 ECBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)/C=C/c1ccc[nH]1 ZINC001267365791 837260271 /nfs/dbraw/zinc/26/02/71/837260271.db2.gz LUJWPQRZWUDXAQ-AATRIKPKSA-N 1 0 332.364 0.918 20 5 ECBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000427623640 210210173 /nfs/dbraw/zinc/21/01/73/210210173.db2.gz WXXSMXBBQYGLDJ-USWWRNFRSA-N 1 0 338.412 0.941 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000423475151 209752348 /nfs/dbraw/zinc/75/23/48/209752348.db2.gz RQBCFPPHRUDGEF-VXGBXAGGSA-N 1 0 334.376 0.829 20 5 ECBDRO Cc1nccc(N2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000183777667 235222972 /nfs/dbraw/zinc/22/29/72/235222972.db2.gz BQCJQMZJFBXKMZ-AWEZNQCLSA-N 1 0 347.379 0.073 20 5 ECBDRO CCc1n[nH]c(C(=O)N2CCO[C@@H]3CC[N@@H+](CC)C[C@H]32)c1[N+](=O)[O-] ZINC000355304045 299235181 /nfs/dbraw/zinc/23/51/81/299235181.db2.gz AUPOASUFSRFAHR-VXGBXAGGSA-N 1 0 337.380 0.816 20 5 ECBDRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000237160849 283566306 /nfs/dbraw/zinc/56/63/06/283566306.db2.gz SFAOSPQICCQZDD-JTQLQIEISA-N 1 0 329.378 0.976 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)N[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000420442840 209367916 /nfs/dbraw/zinc/36/79/16/209367916.db2.gz FGGVAOUDYKYRNM-LLVKDONJSA-N 1 0 343.361 0.397 20 5 ECBDRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000420439075 209366270 /nfs/dbraw/zinc/36/62/70/209366270.db2.gz AYQOCXFTVKEXRM-VIFPVBQESA-N 1 0 345.377 0.515 20 5 ECBDRO [NH3+]C[C@H](NC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000420070346 209296828 /nfs/dbraw/zinc/29/68/28/209296828.db2.gz WTTLXRBKVZYHGT-AWEZNQCLSA-N 1 0 348.359 0.038 20 5 ECBDRO COc1ccc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000193418174 201055654 /nfs/dbraw/zinc/05/56/54/201055654.db2.gz HTPNIDVADRSKAZ-ONGXEEELSA-N 1 0 329.378 0.880 20 5 ECBDRO COc1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000193418199 201056122 /nfs/dbraw/zinc/05/61/22/201056122.db2.gz HTPNIDVADRSKAZ-GXSJLCMTSA-N 1 0 329.378 0.880 20 5 ECBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000193682313 240263185 /nfs/dbraw/zinc/26/31/85/240263185.db2.gz SVPOBJNMQOUDDR-GFCCVEGCSA-N 1 0 349.391 0.758 20 5 ECBDRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000193700810 240272879 /nfs/dbraw/zinc/27/28/79/240272879.db2.gz HWCCWDODRCZZRQ-OAHLLOKOSA-N 1 0 348.403 0.983 20 5 ECBDRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000419844805 209222604 /nfs/dbraw/zinc/22/26/04/209222604.db2.gz OQUZUADIICOJGK-CYBMUJFWSA-N 1 0 346.387 0.954 20 5 ECBDRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000419841468 209220801 /nfs/dbraw/zinc/22/08/01/209220801.db2.gz JZNPOLKTSXCCAO-ZDUSSCGKSA-N 1 0 346.387 0.954 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000419765804 209199779 /nfs/dbraw/zinc/19/97/79/209199779.db2.gz XRYPOFLCVIOGBH-ZWNOBZJWSA-N 1 0 334.376 0.715 20 5 ECBDRO C[C@@H]1[NH2+]CCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)[C@H]1C ZINC000262726167 245146838 /nfs/dbraw/zinc/14/68/38/245146838.db2.gz HFXZFUITSTZPMB-UWVGGRQHSA-N 1 0 341.389 0.821 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000262723906 245147241 /nfs/dbraw/zinc/14/72/41/245147241.db2.gz GLVFYOKAACXMDC-WOPDTQHZSA-N 1 0 334.376 0.922 20 5 ECBDRO C[C@@H]([NH3+])CCC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262745233 245158294 /nfs/dbraw/zinc/15/82/94/245158294.db2.gz JJKLIQYJYSPLDP-SNVBAGLBSA-N 1 0 344.393 0.117 20 5 ECBDRO C[C@@H]1[NH2+]CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)[C@H]1C ZINC000262749876 245159312 /nfs/dbraw/zinc/15/93/12/245159312.db2.gz GMWRZHPVTXWWSD-QWRGUYRKSA-N 1 0 330.348 0.998 20 5 ECBDRO O=C([C@H]1C[NH2+]CCO1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000160920287 206318771 /nfs/dbraw/zinc/31/87/71/206318771.db2.gz ABZVTEBZXYPMSW-OAHLLOKOSA-N 1 0 335.360 0.953 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCSC2)cc1 ZINC000161958042 206378572 /nfs/dbraw/zinc/37/85/72/206378572.db2.gz PNMMPWAXLTUXAC-JTQLQIEISA-N 1 0 331.419 0.968 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000449713552 211293893 /nfs/dbraw/zinc/29/38/93/211293893.db2.gz YICFBCLWTSNSIT-DMDPSCGWSA-N 1 0 334.376 0.957 20 5 ECBDRO O=C1[C@H]([NH2+][C@@H](CO)[C@@H]2CCCO2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000447913357 211217186 /nfs/dbraw/zinc/21/71/86/211217186.db2.gz MCPKHPKIMCKSOB-ILXRZTDVSA-N 1 0 335.360 0.830 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000261902593 207789154 /nfs/dbraw/zinc/78/91/54/207789154.db2.gz PBDUBXNNMMFELJ-JQWIXIFHSA-N 1 0 341.389 0.976 20 5 ECBDRO COC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])c(N)c2F)CC[N@H+](C)C1 ZINC000413511527 208336901 /nfs/dbraw/zinc/33/69/01/208336901.db2.gz ZTPAAXJUNCYYSS-SECBINFHSA-N 1 0 326.328 0.857 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000415591750 208552309 /nfs/dbraw/zinc/55/23/09/208552309.db2.gz HXZDABKXUVOIAV-MRXNPFEDSA-N 1 0 348.359 0.754 20 5 ECBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H](C)C[NH2+]C ZINC000429234309 210306012 /nfs/dbraw/zinc/30/60/12/210306012.db2.gz GQWBCYPZXJPODK-MWLCHTKSSA-N 1 0 326.401 0.799 20 5 ECBDRO C[C@H](C[NH3+])NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000418512448 208817670 /nfs/dbraw/zinc/81/76/70/208817670.db2.gz LIMXCFLPGLONRG-LLVKDONJSA-N 1 0 335.364 0.409 20 5 ECBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000418875155 208890237 /nfs/dbraw/zinc/89/02/37/208890237.db2.gz VVRNYLBOSDOAEC-CYBMUJFWSA-N 1 0 334.376 0.512 20 5 ECBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000418860623 208881403 /nfs/dbraw/zinc/88/14/03/208881403.db2.gz DCNFLFRXBFEIEW-TZMCWYRMSA-N 1 0 348.403 0.839 20 5 ECBDRO C[C@H](NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000419158087 209006045 /nfs/dbraw/zinc/00/60/45/209006045.db2.gz XKUNFNFYYSGBLM-WOPDTQHZSA-N 1 0 334.376 0.981 20 5 ECBDRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000496039871 255065024 /nfs/dbraw/zinc/06/50/24/255065024.db2.gz BUKUVYQWXLJKBU-AWEZNQCLSA-N 1 0 343.384 0.657 20 5 ECBDRO COC(=O)N1CC([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000496679948 255120742 /nfs/dbraw/zinc/12/07/42/255120742.db2.gz UQFIYJCXCUUQGX-NSHDSACASA-N 1 0 325.321 0.375 20 5 ECBDRO CC(C)([NH3+])CNC(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000419163704 209008499 /nfs/dbraw/zinc/00/84/99/209008499.db2.gz KMJYTBVFZABTSH-UHFFFAOYSA-N 1 0 328.756 0.718 20 5 ECBDRO CO[C@@H](C)[C@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000358060817 299679852 /nfs/dbraw/zinc/67/98/52/299679852.db2.gz LCEQZOQDUMJMQM-QWRGUYRKSA-N 1 0 331.394 0.886 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CCC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000237319034 286348196 /nfs/dbraw/zinc/34/81/96/286348196.db2.gz VMMQVGLJEMBWQZ-JTQLQIEISA-N 1 0 329.378 0.963 20 5 ECBDRO COc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000262079206 286350807 /nfs/dbraw/zinc/35/08/07/286350807.db2.gz GWRCCUSDGNNCGJ-UWVGGRQHSA-N 1 0 329.378 0.961 20 5 ECBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272186931 296763110 /nfs/dbraw/zinc/76/31/10/296763110.db2.gz DZHJEXPBKRSUGS-ZDUSSCGKSA-N 1 0 339.377 0.642 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000261860245 165253589 /nfs/dbraw/zinc/25/35/89/165253589.db2.gz KJCVFRGBPRUARE-WDEREUQCSA-N 1 0 341.389 0.833 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261888573 165258200 /nfs/dbraw/zinc/25/82/00/165258200.db2.gz NKLFGCPUEFAGCY-ZYHUDNBSSA-N 1 0 341.389 0.976 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000262343185 165333576 /nfs/dbraw/zinc/33/35/76/165333576.db2.gz ULHKWKXTPVIUAJ-UWVGGRQHSA-N 1 0 329.378 0.961 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000262405776 165346436 /nfs/dbraw/zinc/34/64/36/165346436.db2.gz CSLQHHSCYQRPMA-CYBMUJFWSA-N 1 0 329.378 0.963 20 5 ECBDRO COCCOc1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+]CC2)cc1OC ZINC000262478193 165354050 /nfs/dbraw/zinc/35/40/50/165354050.db2.gz PKIWCCDTGGGNTG-UHFFFAOYSA-N 1 0 339.348 0.674 20 5 ECBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000262537468 165360642 /nfs/dbraw/zinc/36/06/42/165360642.db2.gz QOCHTZXXGXHTRF-UWVGGRQHSA-N 1 0 329.353 0.964 20 5 ECBDRO [NH3+][C@@H](CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000262830761 165393328 /nfs/dbraw/zinc/39/33/28/165393328.db2.gz ZUOIZAVGOSDSAV-VIFPVBQESA-N 1 0 343.361 0.382 20 5 ECBDRO COc1ccc(C[NH2+]CC2CN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000189682615 263163624 /nfs/dbraw/zinc/16/36/24/263163624.db2.gz LDDGKWPPEANQGB-UHFFFAOYSA-N 1 0 329.378 0.584 20 5 ECBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000269619099 263192239 /nfs/dbraw/zinc/19/22/39/263192239.db2.gz MKQURWITCMCNMI-OLZOCXBDSA-N 1 0 336.392 0.993 20 5 ECBDRO CS[C@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000271196069 263305783 /nfs/dbraw/zinc/30/57/83/263305783.db2.gz WOILVTSJTLWJOE-AAEUAGOBSA-N 1 0 340.405 0.261 20 5 ECBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000272273862 263342378 /nfs/dbraw/zinc/34/23/78/263342378.db2.gz NYOAIYQSRWJEBJ-GMXVVIOVSA-N 1 0 334.376 0.909 20 5 ECBDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cc([N+](=O)[O-])n[nH]3)cn2)CC1 ZINC000285444512 264313637 /nfs/dbraw/zinc/31/36/37/264313637.db2.gz MGHKJYALAPHJQS-UHFFFAOYSA-N 1 0 345.363 0.395 20 5 ECBDRO CC(C)OCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000286100886 264370446 /nfs/dbraw/zinc/37/04/46/264370446.db2.gz MODFNYXQRXDZAI-UHFFFAOYSA-N 1 0 325.369 0.937 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000287392788 264447062 /nfs/dbraw/zinc/44/70/62/264447062.db2.gz NNDRLRKWMDGWKY-UPJWGTAASA-N 1 0 326.349 0.152 20 5 ECBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000267247376 276165093 /nfs/dbraw/zinc/16/50/93/276165093.db2.gz TVDLNAIOEVWELM-UHFFFAOYSA-N 1 0 328.394 0.774 20 5 ECBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000193479311 277075952 /nfs/dbraw/zinc/07/59/52/277075952.db2.gz WLCUNEQJRRMZJN-AWEZNQCLSA-N 1 0 333.392 0.920 20 5 ECBDRO C[NH2+]CCN(C)C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O ZINC000120674239 277270358 /nfs/dbraw/zinc/27/03/58/277270358.db2.gz PZBHVPMXCICCTK-UHFFFAOYSA-N 1 0 345.359 0.741 20 5 ECBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000237777721 281007959 /nfs/dbraw/zinc/00/79/59/281007959.db2.gz PYKDGBZPFREMTL-LBPRGKRZSA-N 1 0 334.376 0.830 20 5 ECBDRO CCO[C@@H]1C[C@@](CO)([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000189998634 437613119 /nfs/dbraw/zinc/61/31/19/437613119.db2.gz QCKUHKCLOFWZGW-CJNGLKHVSA-N 1 0 339.392 0.912 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)c([N+](=O)[O-])n1 ZINC000332648301 297062200 /nfs/dbraw/zinc/06/22/00/297062200.db2.gz KVAIBLBQWXFDGC-SNVBAGLBSA-N 1 0 331.398 0.526 20 5 ECBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)n1 ZINC000332668183 297063974 /nfs/dbraw/zinc/06/39/74/297063974.db2.gz QAQXXKGXKPXGPZ-MWLCHTKSSA-N 1 0 327.410 0.929 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CC[C@@H]([NH+](CC)CC)C2)c([N+](=O)[O-])n1 ZINC000332676475 297064931 /nfs/dbraw/zinc/06/49/31/297064931.db2.gz ROSREAWCJOYVMV-LLVKDONJSA-N 1 0 345.425 0.916 20 5 ECBDRO CN1CC[NH+](CCC(C)(C)NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000354462609 437622319 /nfs/dbraw/zinc/62/23/19/437622319.db2.gz OCTPHXYHPILOMK-UHFFFAOYSA-N 1 0 338.412 0.324 20 5 ECBDRO CCn1cc(S(=O)(=O)NC[C@@H](C)[N@H+](C)C2CC2)c([N+](=O)[O-])n1 ZINC000339042595 297316176 /nfs/dbraw/zinc/31/61/76/297316176.db2.gz UGCPGCSSRSKYSX-SECBINFHSA-N 1 0 331.398 0.572 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CCCC[C@@H]2CC[NH3+])c([N+](=O)[O-])n1 ZINC000342929869 297793863 /nfs/dbraw/zinc/79/38/63/297793863.db2.gz SBHXYEJMJRRGOK-SNVBAGLBSA-N 1 0 331.398 0.703 20 5 ECBDRO CCn1cc(S(=O)(=O)NCC2CCC(C[NH3+])CC2)c([N+](=O)[O-])n1 ZINC000345198154 298129115 /nfs/dbraw/zinc/12/91/15/298129115.db2.gz HFVLHQSYFLSZEW-UHFFFAOYSA-N 1 0 345.425 0.855 20 5 ECBDRO CNC(=O)C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000361641686 300112523 /nfs/dbraw/zinc/11/25/23/300112523.db2.gz CZWRZATUFDFOEB-HUUCEWRRSA-N 1 0 347.375 0.619 20 5 ECBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363192842 300253659 /nfs/dbraw/zinc/25/36/59/300253659.db2.gz OVXBYAXEGNWDLK-QWHCGFSZSA-N 1 0 334.376 0.986 20 5 ECBDRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])cnc3N)C2)CC1 ZINC000363869552 300301405 /nfs/dbraw/zinc/30/14/05/300301405.db2.gz RISWRALBVJBVFF-LLVKDONJSA-N 1 0 348.407 0.470 20 5 ECBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)C1 ZINC000364884733 300396971 /nfs/dbraw/zinc/39/69/71/300396971.db2.gz DTEUAEIQPXSZEH-CQSZACIVSA-N 1 0 347.419 0.910 20 5 ECBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCN1CC[NH+](C)CC1 ZINC000012141595 436047672 /nfs/dbraw/zinc/04/76/72/436047672.db2.gz FUPUNERUQOENRH-UHFFFAOYSA-N 1 0 342.421 0.429 20 5 ECBDRO CCOC(=O)[C@](C)(O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373292598 301056823 /nfs/dbraw/zinc/05/68/23/301056823.db2.gz JWWJZVWWWNGBKI-CQSZACIVSA-N 1 0 326.353 0.742 20 5 ECBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000161464359 301432232 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349.347 0.077 20 5 ECBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CC12CC[NH2+]CC2 ZINC000591686029 439061097 /nfs/dbraw/zinc/06/10/97/439061097.db2.gz MIYNVIIXQLYBOO-AWEZNQCLSA-N 1 0 346.387 0.973 20 5 ECBDRO CC(C)(C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000519558488 439040936 /nfs/dbraw/zinc/04/09/36/439040936.db2.gz VFIFTLWAFQZCQU-KBPBESRZSA-N 1 0 346.387 0.643 20 5 ECBDRO COc1cc(C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)cc([N+](=O)[O-])c1OC ZINC000580542758 439101899 /nfs/dbraw/zinc/10/18/99/439101899.db2.gz WRNJJECIHYVDMO-WCQYABFASA-N 1 0 337.332 0.425 20 5 ECBDRO O=c1[nH]c2c(cc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000591739610 439077661 /nfs/dbraw/zinc/07/76/61/439077661.db2.gz OVXNZCLXXXCMOU-ZDUSSCGKSA-N 1 0 333.348 0.531 20 5 ECBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CN(C)CCO1 ZINC000591756652 439080027 /nfs/dbraw/zinc/08/00/27/439080027.db2.gz MRXPVJZIJZDUEL-ZENOOKHLSA-N 1 0 339.392 0.643 20 5 ECBDRO CN1C(=O)CC[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1=O ZINC000566733723 439084535 /nfs/dbraw/zinc/08/45/35/439084535.db2.gz XXWCBYKVFHKPQG-GHMZBOCLSA-N 1 0 337.332 0.072 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1CN1C(=O)NC2(CC[NH2+]CC2)C1=O ZINC000592170226 439172354 /nfs/dbraw/zinc/17/23/54/439172354.db2.gz YFILSPXFFXMXTG-UHFFFAOYSA-N 1 0 334.332 0.777 20 5 ECBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCC(CO)([NH2+]C(C)C)CC1 ZINC000602835848 439141848 /nfs/dbraw/zinc/14/18/48/439141848.db2.gz JPUPASGUNBDZKC-UHFFFAOYSA-N 1 0 325.413 0.925 20 5 ECBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[NH2+]CC1 ZINC000592331037 439206768 /nfs/dbraw/zinc/20/67/68/439206768.db2.gz UOKGJUFAPHSBHY-ZDUSSCGKSA-N 1 0 334.376 0.973 20 5 ECBDRO C[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CO1 ZINC000592365753 439212807 /nfs/dbraw/zinc/21/28/07/439212807.db2.gz YWHFQWHIFGSQNU-QWRGUYRKSA-N 1 0 329.378 0.640 20 5 ECBDRO O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NCC[NH2+]C1CC1)OCCO2 ZINC000592366843 439212855 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ECBDRO C[N@@H+]1CCCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000598894835 439323394 /nfs/dbraw/zinc/32/33/94/439323394.db2.gz TUNKGTGIKHPDDI-UHFFFAOYSA-N 1 0 335.364 0.880 20 5 ECBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(Cn2cnnc2)CC1 ZINC000593078475 439336349 /nfs/dbraw/zinc/33/63/49/439336349.db2.gz ZCKRRWNEGIIROR-UHFFFAOYSA-N 1 0 332.364 0.760 20 5 ECBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000592875453 439293277 /nfs/dbraw/zinc/29/32/77/439293277.db2.gz YVVYILWWPXFVPL-GFCCVEGCSA-N 1 0 334.376 0.716 20 5 ECBDRO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[NH2+]CC1 ZINC000598665513 439300136 /nfs/dbraw/zinc/30/01/36/439300136.db2.gz PKRSMZKHMLSIFN-LLVKDONJSA-N 1 0 335.364 0.975 20 5 ECBDRO Cc1ccc(S(=O)(=O)N2CCCO[C@@H](C[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000598713362 439306055 /nfs/dbraw/zinc/30/60/55/439306055.db2.gz BIESQZJEAYVRHV-LBPRGKRZSA-N 1 0 343.405 0.950 20 5 ECBDRO O=C(COC1CC[NH2+]CC1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000569808125 439363871 /nfs/dbraw/zinc/36/38/71/439363871.db2.gz LBFAAFORFYYIGL-GFCCVEGCSA-N 1 0 349.391 0.771 20 5 ECBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593551001 439400465 /nfs/dbraw/zinc/40/04/65/439400465.db2.gz PPEHDDXPUVNZTM-ZYHUDNBSSA-N 1 0 328.394 0.951 20 5 ECBDRO CC1CC[NH+](CCCNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599210805 439382012 /nfs/dbraw/zinc/38/20/12/439382012.db2.gz LXKATXLPJHQHFS-UHFFFAOYSA-N 1 0 345.425 0.729 20 5 ECBDRO C[NH+](C)[C@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000570048803 439387476 /nfs/dbraw/zinc/38/74/76/439387476.db2.gz OZQMVLMRMDBIMK-GJZGRUSLSA-N 1 0 334.376 0.091 20 5 ECBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599288320 439419815 /nfs/dbraw/zinc/41/98/15/439419815.db2.gz RFMUFDIJXHNQGP-MNOVXSKESA-N 1 0 345.425 0.727 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)n1 ZINC000599296382 439422828 /nfs/dbraw/zinc/42/28/28/439422828.db2.gz QPQXQVNTPCTSQM-JTQLQIEISA-N 1 0 331.398 0.433 20 5 ECBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599305673 439425201 /nfs/dbraw/zinc/42/52/01/439425201.db2.gz AXBUPZNFIPNTAO-WDEREUQCSA-N 1 0 343.409 0.576 20 5 ECBDRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3cccnc3[N+](=O)[O-])C[C@H]21 ZINC000571164897 439480823 /nfs/dbraw/zinc/48/08/23/439480823.db2.gz HNNSLCGXQASLJC-GMTAPVOTSA-N 1 0 326.378 0.738 20 5 ECBDRO O=C(N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000593906848 439492417 /nfs/dbraw/zinc/49/24/17/439492417.db2.gz XHFUDFHRTXQTRM-OZVIIMIRSA-N 1 0 347.375 0.239 20 5 ECBDRO Cc1c(NC(=O)CCN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000594027857 439509789 /nfs/dbraw/zinc/50/97/89/439509789.db2.gz SUKDWVIFEUHTNJ-UONOGXRCSA-N 1 0 348.403 0.983 20 5 ECBDRO CCO[C@@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1C[NH3+] ZINC000593736604 439458898 /nfs/dbraw/zinc/45/88/98/439458898.db2.gz CHDFGICSROYQMI-CZUORRHYSA-N 1 0 348.403 0.780 20 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Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000584361929 439582834 /nfs/dbraw/zinc/58/28/34/439582834.db2.gz IARDJSZAVPETCU-NWDGAFQWSA-N 1 0 347.375 0.086 20 5 ECBDRO CN1C[C@@H]([N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])CCC1=O ZINC000572682262 439600826 /nfs/dbraw/zinc/60/08/26/439600826.db2.gz KGEJNYFHOSCEPG-STQMWFEESA-N 1 0 337.376 0.887 20 5 ECBDRO CS(=O)(=O)Nc1cccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000610890243 439652666 /nfs/dbraw/zinc/65/26/66/439652666.db2.gz YOILVHRQBVNYKQ-UHFFFAOYSA-N 1 0 339.377 0.953 20 5 ECBDRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)C[C@H]21 ZINC000595109080 439654025 /nfs/dbraw/zinc/65/40/25/439654025.db2.gz XZMDINVLGIIEOO-MVWJERBFSA-N 1 0 326.378 0.738 20 5 ECBDRO COCCNC(=O)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000610484793 439620872 /nfs/dbraw/zinc/62/08/72/439620872.db2.gz JQOYJZYXNWORGL-UHFFFAOYSA-N 1 0 325.369 0.266 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H](O)[C@@H]2CCCO2)cc1 ZINC000600752919 439699472 /nfs/dbraw/zinc/69/94/72/439699472.db2.gz DXBMROZTVKGSDY-KBPBESRZSA-N 1 0 344.389 0.498 20 5 ECBDRO Cn1c(=O)oc2ccc(C[NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)cc21 ZINC000600758973 439700648 /nfs/dbraw/zinc/70/06/48/439700648.db2.gz XYCSLRPDSJLTBU-GFCCVEGCSA-N 1 0 347.331 0.387 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000611165999 439676587 /nfs/dbraw/zinc/67/65/87/439676587.db2.gz VKDMWMLORBVNRW-UHFFFAOYSA-N 1 0 339.396 0.405 20 5 ECBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000611236552 439683753 /nfs/dbraw/zinc/68/37/53/439683753.db2.gz STNMJVWGDJCOSJ-LBPRGKRZSA-N 1 0 336.396 0.180 20 5 ECBDRO COc1ccc(S(=O)(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c([N+](=O)[O-])c1 ZINC000600668821 439687427 /nfs/dbraw/zinc/68/74/27/439687427.db2.gz BRZSZESHAARFDW-YABSGUDNSA-N 1 0 341.389 0.784 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H](n2cccn2)C(F)(F)F)c1 ZINC000600744501 439696995 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C[C@@H](O)C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@H]1C ZINC000736149633 578411512 /nfs/dbraw/zinc/41/15/12/578411512.db2.gz VKYIIPLUWVLKKE-NXEZZACHSA-N 1 0 348.367 0.061 20 5 ECBDRO CC[C@@H](O)C[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000736384252 578426680 /nfs/dbraw/zinc/42/66/80/578426680.db2.gz WOSKAVYRTCKJJO-GFCCVEGCSA-N 1 0 347.379 0.668 20 5 ECBDRO C[NH+](C)C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CCO1 ZINC000736759211 578450023 /nfs/dbraw/zinc/45/00/23/578450023.db2.gz QACPAUFGKDCJRV-LLVKDONJSA-N 1 0 333.352 0.542 20 5 ECBDRO COCC(=O)NC1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776275814 579279526 /nfs/dbraw/zinc/27/95/26/579279526.db2.gz ICOATCLULXERGE-OAHLLOKOSA-N 1 0 337.376 0.855 20 5 ECBDRO CN1C(=O)NC2(CC[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000776602707 579286143 /nfs/dbraw/zinc/28/61/43/579286143.db2.gz YGZXECLRFGOHSN-CYBMUJFWSA-N 1 0 348.359 0.644 20 5 ECBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 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PLYJNKTUHFIOTM-LURJTMIESA-N 1 0 338.183 0.983 20 5 ECBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H](C)C[NH3+])c(C)c1[N+](=O)[O-] ZINC000842787354 589036552 /nfs/dbraw/zinc/03/65/52/589036552.db2.gz NBIQXMFTDDMVTP-ZETCQYMHSA-N 1 0 346.365 0.993 20 5 ECBDRO COC(=O)Nc1ccc(S(=O)(=O)NC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000842802664 589037515 /nfs/dbraw/zinc/03/75/15/589037515.db2.gz HGSPAOCILWFMRD-ZETCQYMHSA-N 1 0 332.338 0.399 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2COc3ccccc3[C@@H]2O)c1 ZINC000843114700 589051635 /nfs/dbraw/zinc/05/16/35/589051635.db2.gz FRNAUPHNBFLZMV-ZLDLUXBVSA-N 1 0 334.332 0.236 20 5 ECBDRO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CC([NH+]2CCCC2)C1 ZINC000898614782 586437788 /nfs/dbraw/zinc/43/77/88/586437788.db2.gz UNMRPZYAAIMKFO-UHFFFAOYSA-N 1 0 332.360 0.631 20 5 ECBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C12CCC2 ZINC000898841140 586454756 /nfs/dbraw/zinc/45/47/56/586454756.db2.gz LKDQLQMJDNWDJS-STQMWFEESA-N 1 0 334.376 0.746 20 5 ECBDRO C[C@H](NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCN1C ZINC000900811454 586666582 /nfs/dbraw/zinc/66/65/82/586666582.db2.gz LPPCZTAOHADVHR-NILFDRSVSA-N 1 0 336.392 0.379 20 5 ECBDRO CN1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C[NH3+])C1 ZINC000843357935 589063772 /nfs/dbraw/zinc/06/37/72/589063772.db2.gz UCXOLMGDYKQGEM-JTQLQIEISA-N 1 0 326.328 0.214 20 5 ECBDRO COc1cc([C@H](C)[NH2+]C[C@@]2(CO)COCCN2C)cc([N+](=O)[O-])c1 ZINC000903224383 586772685 /nfs/dbraw/zinc/77/26/85/586772685.db2.gz VJMUCMIFELDGAL-BLLLJJGKSA-N 1 0 339.392 0.947 20 5 ECBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@]1(CO)COCCN1C ZINC000903281312 586774671 /nfs/dbraw/zinc/77/46/71/586774671.db2.gz XVVPCNNFCVCLNO-LRDDRELGSA-N 1 0 341.383 0.948 20 5 ECBDRO O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000843455590 589068075 /nfs/dbraw/zinc/06/80/75/589068075.db2.gz BVUYNOMYQMYUEZ-UHFFFAOYSA-N 1 0 333.352 0.941 20 5 ECBDRO C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 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GXQHNWQDIOEWSJ-UHFFFAOYSA-N 1 0 347.383 0.219 20 5 ECBDRO CC(=O)N1C[C@@H]2C[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000821328888 587586228 /nfs/dbraw/zinc/58/62/28/587586228.db2.gz SKXWHWUQGLKZRK-ZNMIVQPWSA-N 1 0 349.387 0.745 20 5 ECBDRO C[N@@H+]1CCO[C@@H]2CN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])C[C@@H]21 ZINC000821628538 587609045 /nfs/dbraw/zinc/60/90/45/587609045.db2.gz KQCDGCBJSGRLJV-QWHCGFSZSA-N 1 0 331.336 0.294 20 5 ECBDRO CC(C)(CCC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[N+](=O)[O-] ZINC000823091141 587701773 /nfs/dbraw/zinc/70/17/73/587701773.db2.gz DISIFPUAHAZEDC-UHFFFAOYSA-N 1 0 340.424 0.589 20 5 ECBDRO O=C(Cc1noc(C[C@@H]2CC[NH2+]C2)n1)NCc1ccc([N+](=O)[O-])cc1 ZINC000823115037 587702995 /nfs/dbraw/zinc/70/29/95/587702995.db2.gz HLWWDZMBOMBALR-LBPRGKRZSA-N 1 0 345.359 0.989 20 5 ECBDRO Cc1c(C(=O)NC[C@@H]2C[NH2+]CCCO2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000825183027 587921731 /nfs/dbraw/zinc/92/17/31/587921731.db2.gz FVNDBRRIOYKRCU-NSHDSACASA-N 1 0 338.320 0.920 20 5 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CVLSWKBYUKCOAL-DZGCQCFKSA-N 1 0 346.387 0.925 20 5 ECBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449712106 211294397 /nfs/dbraw/zinc/29/43/97/211294397.db2.gz QAUHJKZHMFEXAR-AWEZNQCLSA-N 1 0 345.359 0.889 20 5 ECBDRO C[C@H]([NH3+])[C@H](C)NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000449590847 211285772 /nfs/dbraw/zinc/28/57/72/211285772.db2.gz PNIXXNVWJWMVSN-UWVGGRQHSA-N 1 0 344.393 0.115 20 5 ECBDRO CC[C@H]([NH3+])CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000449606183 211285545 /nfs/dbraw/zinc/28/55/45/211285545.db2.gz PPVPKRWXZFQNKR-JTQLQIEISA-N 1 0 344.393 0.117 20 5 ECBDRO Cc1cc(=O)c(C(=O)N[C@H](C)[C@@H](C)[NH3+])nn1-c1ccccc1[N+](=O)[O-] ZINC000449586352 211284876 /nfs/dbraw/zinc/28/48/76/211284876.db2.gz FYTXZVRDKSISQB-GHMZBOCLSA-N 1 0 345.359 0.915 20 5 ECBDRO C[N@@H+]1CC[C@@H]2CN([C@@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]21 ZINC000448557131 211251592 /nfs/dbraw/zinc/25/15/92/211251592.db2.gz SGEICJYYWCBKOI-DFBGVHRSSA-N 1 0 344.371 0.863 20 5 ECBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C[C@@H](C)O)[C@@H](C)CO ZINC000443341606 211009643 /nfs/dbraw/zinc/00/96/43/211009643.db2.gz CUOIHOVIUSFXAZ-NWDGAFQWSA-N 1 0 325.365 0.905 20 5 ECBDRO O=C(C[N@H+]1CC[C@@H](CO)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000174708735 207048024 /nfs/dbraw/zinc/04/80/24/207048024.db2.gz WZXJDDNOBVGHPP-CQSZACIVSA-N 1 0 348.403 0.558 20 5 ECBDRO CC(=O)N1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000268687900 252139423 /nfs/dbraw/zinc/13/94/23/252139423.db2.gz OCUAAUJQMJOBBZ-DOMZBBRYSA-N 1 0 337.376 0.887 20 5 ECBDRO CC(C)([NH3+])CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000429631143 210325365 /nfs/dbraw/zinc/32/53/65/210325365.db2.gz NRUJLBCGVZUXKQ-UHFFFAOYSA-N 1 0 344.393 0.117 20 5 ECBDRO C[C@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000429160666 210302501 /nfs/dbraw/zinc/30/25/01/210302501.db2.gz OOHNNRMRZOQNIL-SMDDNHRTSA-N 1 0 349.391 0.590 20 5 ECBDRO C[C@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000429151610 210301782 /nfs/dbraw/zinc/30/17/82/210301782.db2.gz SWNARMQRKBNSGQ-CMPLNLGQSA-N 1 0 330.348 0.985 20 5 ECBDRO CC(C)(C[NH3+])NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000428915868 210290349 /nfs/dbraw/zinc/29/03/49/210290349.db2.gz CVIRPXMCVVLZGK-UHFFFAOYSA-N 1 0 344.393 0.117 20 5 ECBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428614862 210274188 /nfs/dbraw/zinc/27/41/88/210274188.db2.gz CNJACEKZZCPNRZ-ZDUSSCGKSA-N 1 0 346.387 0.879 20 5 ECBDRO Cc1ccc(NCCCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000419457044 209101859 /nfs/dbraw/zinc/10/18/59/209101859.db2.gz VCWSHPAAUARZLU-LBPRGKRZSA-N 1 0 349.391 0.300 20 5 ECBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000417951503 208764395 /nfs/dbraw/zinc/76/43/95/208764395.db2.gz WYPPRWIDHXXAPT-MRXNPFEDSA-N 1 0 347.419 0.826 20 5 ECBDRO C[C@@H]1CCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000418859532 208882139 /nfs/dbraw/zinc/88/21/39/208882139.db2.gz BTQVKYFZFBNIJB-TZMCWYRMSA-N 1 0 348.403 0.697 20 5 ECBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000419042802 208958537 /nfs/dbraw/zinc/95/85/37/208958537.db2.gz PSKWBFXINJNTST-WCQYABFASA-N 1 0 334.376 0.510 20 5 ECBDRO Cc1ccc(NCCCNC(=O)C(=O)N2CC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000419456316 209099294 /nfs/dbraw/zinc/09/92/94/209099294.db2.gz SIEWQHAHCUZPBW-LBPRGKRZSA-N 1 0 349.391 0.381 20 5 ECBDRO C[C@H]1CN(C(=O)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1[NH3+] ZINC000419132557 208992568 /nfs/dbraw/zinc/99/25/68/208992568.db2.gz BRUPDAGFTONTJR-UFBFGSQYSA-N 1 0 340.767 0.670 20 5 ECBDRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000419158774 209005159 /nfs/dbraw/zinc/00/51/59/209005159.db2.gz YFQKCFQYBNNXFS-CDGCEXEKSA-N 1 0 346.387 0.968 20 5 ECBDRO COC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000496344553 255092786 /nfs/dbraw/zinc/09/27/86/255092786.db2.gz MBDORQDPOOELIS-JGVFFNPUSA-N 1 0 346.365 0.787 20 5 ECBDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000269198757 255543639 /nfs/dbraw/zinc/54/36/39/255543639.db2.gz STYGTANPHMXMEK-AWEZNQCLSA-N 1 0 334.376 0.925 20 5 ECBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000419281057 209050165 /nfs/dbraw/zinc/05/01/65/209050165.db2.gz XOAACWFUVFPRAY-NWDGAFQWSA-N 1 0 334.376 0.901 20 5 ECBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419342883 209064479 /nfs/dbraw/zinc/06/44/79/209064479.db2.gz BMFRFOAPVIYNKY-CYBMUJFWSA-N 1 0 334.376 0.512 20 5 ECBDRO CC[NH+]1CCN([C@H](C)CNC(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000068467612 296611829 /nfs/dbraw/zinc/61/18/29/296611829.db2.gz MNTUSUGPEWTZJF-GFCCVEGCSA-N 1 0 338.412 0.242 20 5 ECBDRO COCCN1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000192855314 165048864 /nfs/dbraw/zinc/04/88/64/165048864.db2.gz PLPURNUUBITXKS-UHFFFAOYSA-N 1 0 343.405 0.689 20 5 ECBDRO CCC[NH2+]CCNC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C ZINC000261690098 165227185 /nfs/dbraw/zinc/22/71/85/165227185.db2.gz RPFCRUJKAZTWKT-UHFFFAOYSA-N 1 0 344.393 0.280 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000261804114 165245536 /nfs/dbraw/zinc/24/55/36/165245536.db2.gz FYJLTXLBRJOAPU-QWRGUYRKSA-N 1 0 341.389 0.833 20 5 ECBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000261897345 165259079 /nfs/dbraw/zinc/25/90/79/165259079.db2.gz WEQAKAKYWFXJLC-ZJUUUORDSA-N 1 0 341.389 0.808 20 5 ECBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000261897340 165259279 /nfs/dbraw/zinc/25/92/79/165259279.db2.gz WEQAKAKYWFXJLC-UWVGGRQHSA-N 1 0 341.389 0.808 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000262088964 165289086 /nfs/dbraw/zinc/28/90/86/165289086.db2.gz HVXHEQPNUGGEDJ-VHSXEESVSA-N 1 0 329.378 0.961 20 5 ECBDRO CN(C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C1CC[NH2+]CC1 ZINC000262468470 165353842 /nfs/dbraw/zinc/35/38/42/165353842.db2.gz GVBDLGWCOOOKCT-UHFFFAOYSA-N 1 0 348.359 0.531 20 5 ECBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCC[C@@H]1CC[NH2+]C1 ZINC000262581847 165364723 /nfs/dbraw/zinc/36/47/23/165364723.db2.gz MHPIRXOCRSBZGP-NSHDSACASA-N 1 0 348.359 0.436 20 5 ECBDRO O=[N+]([O-])c1ccc(OCC[N@@H+](CCO)CCN2CCOCC2)cc1 ZINC000086169058 263143132 /nfs/dbraw/zinc/14/31/32/263143132.db2.gz KOMADWLJFUDDTB-UHFFFAOYSA-N 1 0 339.392 0.600 20 5 ECBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000270447346 263242983 /nfs/dbraw/zinc/24/29/83/263242983.db2.gz SWFWXLOEEIEDBH-CQSZACIVSA-N 1 0 345.403 0.981 20 5 ECBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[C@@H]1[NH+](C)C ZINC000271131065 263301177 /nfs/dbraw/zinc/30/11/77/263301177.db2.gz MYOOKYXQWRZANT-WDEREUQCSA-N 1 0 326.378 0.813 20 5 ECBDRO COc1ccc(NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000272792295 263373457 /nfs/dbraw/zinc/37/34/57/263373457.db2.gz GNKBDLMFXFSYDY-GFCCVEGCSA-N 1 0 337.380 0.971 20 5 ECBDRO COc1ccc(NC(=O)C(=O)NCC(C)(C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000272825389 263378125 /nfs/dbraw/zinc/37/81/25/263378125.db2.gz DNTYPNIZQNPUJW-UHFFFAOYSA-N 1 0 338.364 0.998 20 5 ECBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000282442782 264044433 /nfs/dbraw/zinc/04/44/33/264044433.db2.gz NFJFPVQPQCITQU-CYBMUJFWSA-N 1 0 337.380 0.362 20 5 ECBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCN2CC[NH+](C)CC2)c1 ZINC000283400381 264113416 /nfs/dbraw/zinc/11/34/16/264113416.db2.gz HCUYLEJGHALTGI-UHFFFAOYSA-N 1 0 336.392 0.971 20 5 ECBDRO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000286093463 264369570 /nfs/dbraw/zinc/36/95/70/264369570.db2.gz SXMPAEZYRGTOAN-DZGCQCFKSA-N 1 0 336.392 0.552 20 5 ECBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289278625 264559060 /nfs/dbraw/zinc/55/90/60/264559060.db2.gz PVPIKGVYIWXQBK-CQSZACIVSA-N 1 0 334.376 0.480 20 5 ECBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000289278620 264559205 /nfs/dbraw/zinc/55/92/05/264559205.db2.gz PVPIKGVYIWXQBK-AWEZNQCLSA-N 1 0 334.376 0.480 20 5 ECBDRO CC[C@H]([NH3+])CNC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O ZINC000295349922 265061616 /nfs/dbraw/zinc/06/16/16/265061616.db2.gz YSWGYEGHGVFSJT-NSHDSACASA-N 1 0 345.359 0.916 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOC[C@H](O)C1 ZINC000295449100 265066815 /nfs/dbraw/zinc/06/68/15/265066815.db2.gz DZGSJZPRZDNVAD-GFCCVEGCSA-N 1 0 339.348 0.625 20 5 ECBDRO C[C@H](CNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])[NH+](C)C ZINC000298355823 265245185 /nfs/dbraw/zinc/24/51/85/265245185.db2.gz OKBLZHVRQRJBAY-SECBINFHSA-N 1 0 340.405 0.852 20 5 ECBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 ZINC000078617600 273816433 /nfs/dbraw/zinc/81/64/33/273816433.db2.gz XQNWBACOSNLXPG-NSHDSACASA-N 1 0 328.394 0.773 20 5 ECBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C ZINC000354354090 437594458 /nfs/dbraw/zinc/59/44/58/437594458.db2.gz RRECFNUFYVJFOI-GFCCVEGCSA-N 1 0 338.364 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O=C(NC[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1)[C@H]1CCC[NH2+]1 ZINC000262136119 436909549 /nfs/dbraw/zinc/90/95/49/436909549.db2.gz DOXYDMWKYFRTER-DGCLKSJQSA-N 1 0 349.391 0.643 20 5 ECBDRO COC[C@@]1(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[NH2+]C1 ZINC000262122813 436909893 /nfs/dbraw/zinc/90/98/93/436909893.db2.gz CEOHOGYUPVBYCZ-QGZVFWFLSA-N 1 0 348.403 0.870 20 5 ECBDRO C[NH+](C)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 ZINC000170855050 436957276 /nfs/dbraw/zinc/95/72/76/436957276.db2.gz KPGNTQBSEQOTAX-NSHDSACASA-N 1 0 341.389 0.774 20 5 ECBDRO CCc1n[nH]c(C(=O)NC[C@H]2CCC[N@@H+]2CCOC)c1[N+](=O)[O-] ZINC000171808564 436990260 /nfs/dbraw/zinc/99/02/60/436990260.db2.gz VPHYLSNMBNIIPC-SNVBAGLBSA-N 1 0 325.369 0.721 20 5 ECBDRO C[C@H](CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[NH+](C)C ZINC000298342324 437036150 /nfs/dbraw/zinc/03/61/50/437036150.db2.gz JHGXXPZKDPDTSI-SECBINFHSA-N 1 0 334.332 0.257 20 5 ECBDRO C[NH+](C)[C@H]1CCCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 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KVWIRYPHZFXFTO-CABZTGNLSA-N 1 0 345.377 0.340 20 5 ECBDRO CN(C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000179095571 437251495 /nfs/dbraw/zinc/25/14/95/437251495.db2.gz WGHLSYJBHMZVMG-VIFPVBQESA-N 1 0 340.767 0.798 20 5 ECBDRO CC[N@@H+]1CCCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000267218788 437307533 /nfs/dbraw/zinc/30/75/33/437307533.db2.gz NIUHCURWFPBXOD-UHFFFAOYSA-N 1 0 328.394 0.774 20 5 ECBDRO C[N@H+]1C[C@H]2CN(c3ccc([N+](=O)[O-])cc3S(N)(=O)=O)C[C@H]2C1 ZINC000278648915 437331893 /nfs/dbraw/zinc/33/18/93/437331893.db2.gz DMFFFUNHCPYEFU-AOOOYVTPSA-N 1 0 326.378 0.240 20 5 ECBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CCO)C[C@H](C)O ZINC000289664129 437432008 /nfs/dbraw/zinc/43/20/08/437432008.db2.gz FLXLKBGHDXRYKO-LBPRGKRZSA-N 1 0 325.365 0.907 20 5 ECBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000338966457 437428670 /nfs/dbraw/zinc/42/86/70/437428670.db2.gz LMGVIILDTOBDEG-CQSZACIVSA-N 1 0 348.403 0.841 20 5 ECBDRO Cc1nnc([C@@H]2CCC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)[nH]1 ZINC000268520725 437430474 /nfs/dbraw/zinc/43/04/74/437430474.db2.gz WLSKCFDAOHWNAB-DGCLKSJQSA-N 1 0 335.368 0.458 20 5 ECBDRO COc1ccc(NC(=O)CC[NH2+][C@H]2COC[C@@H]2OC)c([N+](=O)[O-])c1 ZINC000290237095 437471735 /nfs/dbraw/zinc/47/17/35/437471735.db2.gz YRDPXIKOSNMCCF-JSGCOSHPSA-N 1 0 339.348 0.935 20 5 ECBDRO COC[C@@H](C)C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000187912658 437518870 /nfs/dbraw/zinc/51/88/70/437518870.db2.gz GRKXJKFXMPCNRZ-NSHDSACASA-N 1 0 331.394 0.745 20 5 ECBDRO Cc1c(CNC(=O)C(=O)NCC[N@@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000343280960 437546087 /nfs/dbraw/zinc/54/60/87/437546087.db2.gz APAWOAVWMMHZCA-UHFFFAOYSA-N 1 0 334.376 0.730 20 5 ECBDRO C[NH+](C)CCN(CCOCCO)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000354467756 437624547 /nfs/dbraw/zinc/62/45/47/437624547.db2.gz ZYVFGSKKJATUCL-UHFFFAOYSA-N 1 0 340.380 0.999 20 5 ECBDRO COCCCN(C(=O)Cn1cc([N+](=O)[O-])cn1)C1CC[NH+](C)CC1 ZINC000291164663 437566974 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C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000419042804 438302193 /nfs/dbraw/zinc/30/21/93/438302193.db2.gz PSKWBFXINJNTST-YPMHNXCESA-N 1 0 334.376 0.510 20 5 ECBDRO C[C@H]1CCCN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000419047156 438303952 /nfs/dbraw/zinc/30/39/52/438303952.db2.gz ZRMXOJDAGIOWLK-SWLSCSKDSA-N 1 0 348.403 0.839 20 5 ECBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000359152143 438366093 /nfs/dbraw/zinc/36/60/93/438366093.db2.gz AYSHDSPBTXPOAP-CQSZACIVSA-N 1 0 348.403 0.841 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000378310689 438374743 /nfs/dbraw/zinc/37/47/43/438374743.db2.gz GPDNCJZEJPCIOA-AWEZNQCLSA-N 1 0 334.376 0.610 20 5 ECBDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000378314703 438375165 /nfs/dbraw/zinc/37/51/65/438375165.db2.gz LDJZKJYBCUGFER-UTUOFQBUSA-N 1 0 337.380 0.937 20 5 ECBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1C[NH2+]CCCO1 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[NH3+]C[C@@H]1Cc2ccccc2N1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000422624655 438595217 /nfs/dbraw/zinc/59/52/17/438595217.db2.gz CLRXLSNUDCXJRO-ZDUSSCGKSA-N 1 0 328.328 0.673 20 5 ECBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000422636568 438595976 /nfs/dbraw/zinc/59/59/76/438595976.db2.gz WGPUVEPBBNFAEL-UHFFFAOYSA-N 1 0 334.376 0.715 20 5 ECBDRO C[NH2+][C@H]1CCN(S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)C1 ZINC000440738141 438562635 /nfs/dbraw/zinc/56/26/35/438562635.db2.gz MUOJGYGYFXEGOI-QMMMGPOBSA-N 1 0 333.341 0.725 20 5 ECBDRO C[C@H]1CC[NH2+]C[C@H]1NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422940675 438619200 /nfs/dbraw/zinc/61/92/00/438619200.db2.gz TYWXZPISIHICBG-SMDDNHRTSA-N 1 0 342.421 0.461 20 5 ECBDRO C[C@@H]1C[C@H](C[NH3+])CN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000442751523 438621778 /nfs/dbraw/zinc/62/17/78/438621778.db2.gz CCHNHEWKASFPIK-NXEZZACHSA-N 1 0 336.348 0.931 20 5 ECBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)CCN2C1=O 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/nfs/dbraw/zinc/74/65/60/438746560.db2.gz FTISWAAGWYUHIF-NSHDSACASA-N 1 0 337.380 0.872 20 5 ECBDRO O=C1NCC[C@]12CCC[N@H+]2C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000575811687 438756229 /nfs/dbraw/zinc/75/62/29/438756229.db2.gz CMBCCZCYGGRPAV-XJKSGUPXSA-N 1 0 335.360 0.689 20 5 ECBDRO CNc1nc(C(=O)NCC(C)(C)N2CCOCC2)ccc1[N+](=O)[O-] ZINC000454283201 438713164 /nfs/dbraw/zinc/71/31/64/438713164.db2.gz WBZCLQVZHIGYPL-UHFFFAOYSA-N 1 0 337.380 0.872 20 5 ECBDRO CNc1nc(C(=O)N2CCN(C[C@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000456028865 438756654 /nfs/dbraw/zinc/75/66/54/438756654.db2.gz TUBWWIHCRUXXGM-MNOVXSKESA-N 1 0 337.380 0.559 20 5 ECBDRO COC(=O)c1cc([N+](=O)[O-])cn(C[C@@H](O)C[N@H+](C)C(C)C)c1=O ZINC000514734301 438827901 /nfs/dbraw/zinc/82/79/01/438827901.db2.gz AKGIATDHXAJLJZ-NSHDSACASA-N 1 0 327.337 0.244 20 5 ECBDRO CC(C)[NH+]1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000589105926 438855639 /nfs/dbraw/zinc/85/56/39/438855639.db2.gz UXLGFGWULPIGID-UHFFFAOYSA-N 1 0 328.394 0.773 20 5 ECBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000588866686 438846782 /nfs/dbraw/zinc/84/67/82/438846782.db2.gz PORSAPCGROCYKH-ZDUSSCGKSA-N 1 0 336.392 0.847 20 5 ECBDRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000590400491 438919158 /nfs/dbraw/zinc/91/91/58/438919158.db2.gz VBWHXFMEKWKCMO-DGCLKSJQSA-N 1 0 336.348 0.631 20 5 ECBDRO CC(C)[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](O)C(F)(F)F ZINC000578470167 438926466 /nfs/dbraw/zinc/92/64/66/438926466.db2.gz RHRBONGBTZTPCM-VWYCJHECSA-N 1 0 340.302 0.690 20 5 ECBDRO CC[NH+]1CCN([C@H]2CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)C2)CC1 ZINC000596122127 438929076 /nfs/dbraw/zinc/92/90/76/438929076.db2.gz JMOSCLCVRQZVNL-AWEZNQCLSA-N 1 0 347.419 0.910 20 5 ECBDRO NS(=O)(=O)c1ccc(N2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000596126377 438929247 /nfs/dbraw/zinc/92/92/47/438929247.db2.gz MAINSOLMCGFPHE-UHFFFAOYSA-N 1 0 340.405 0.917 20 5 ECBDRO Cc1ccc(C)c(S(=O)(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000590586047 438937133 /nfs/dbraw/zinc/93/71/33/438937133.db2.gz INWDLNWBHIWCAT-RYUDHWBXSA-N 1 0 343.405 0.507 20 5 ECBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000516938130 438939474 /nfs/dbraw/zinc/93/94/74/438939474.db2.gz JVQQUCUWKKVCEJ-YPMHNXCESA-N 1 0 332.360 0.596 20 5 ECBDRO C[N@H+]1C[C@H]2CN(c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC000596214312 438942298 /nfs/dbraw/zinc/94/22/98/438942298.db2.gz SKPZBEYZYQPVDF-AOOOYVTPSA-N 1 0 326.378 0.240 20 5 ECBDRO CN(C)S(=O)(=O)c1ccc(N[C@H](CO)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000596244991 438946216 /nfs/dbraw/zinc/94/62/16/438946216.db2.gz UDKQGKKSARYIEF-JTQLQIEISA-N 1 0 346.409 0.180 20 5 ECBDRO COc1nccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000517025424 438946464 /nfs/dbraw/zinc/94/64/64/438946464.db2.gz RRDLEVQJBYMLBO-CYBMUJFWSA-N 1 0 334.332 0.923 20 5 ECBDRO C[NH+]1CCN(C[C@H](O)COc2ccc([N+](=O)[O-])c(CO)c2)CC1 ZINC000565542006 438959780 /nfs/dbraw/zinc/95/97/80/438959780.db2.gz ZSUKJGPIPCOLQG-ZDUSSCGKSA-N 1 0 325.365 0.074 20 5 ECBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000565481273 438954822 /nfs/dbraw/zinc/95/48/22/438954822.db2.gz SQQMOHCPAAYGOP-GHMZBOCLSA-N 1 0 334.376 0.722 20 5 ECBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000591351709 439005180 /nfs/dbraw/zinc/00/51/80/439005180.db2.gz ZVIUOTSQRKQTSZ-FZMZJTMJSA-N 1 0 338.364 0.731 20 5 ECBDRO O=c1[nH]cnc2cc(N3CCC([NH2+]CCO)CC3)c([N+](=O)[O-])cc12 ZINC000579418887 439005919 /nfs/dbraw/zinc/00/59/19/439005919.db2.gz WNZCNNOWYZAYDG-UHFFFAOYSA-N 1 0 333.348 0.794 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2COc3ccc(F)cc3C2)c1 ZINC000519594580 439042262 /nfs/dbraw/zinc/04/22/62/439042262.db2.gz HEKLGFHBJIKHNS-JSGCOSHPSA-N 1 0 336.323 0.885 20 5 ECBDRO CNc1ccc(C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000519700407 439056209 /nfs/dbraw/zinc/05/62/09/439056209.db2.gz FHUMCLDREPMPBG-SNVBAGLBSA-N 1 0 337.380 0.433 20 5 ECBDRO Cn1c2cc([N+](=O)[O-])c(N3CC[C@H]4CC[NH2+][C@H]4C3)cc2n(C)c1=O ZINC000591436932 439015187 /nfs/dbraw/zinc/01/51/87/439015187.db2.gz DERJBUUJMPWJGQ-MNOVXSKESA-N 1 0 331.376 0.973 20 5 ECBDRO Cn1cc(CN2CCC(C(=O)NCC[NH+](C)C)CC2)c([N+](=O)[O-])n1 ZINC000602450277 439089151 /nfs/dbraw/zinc/08/91/51/439089151.db2.gz KIWCLUMJZRURAI-UHFFFAOYSA-N 1 0 338.412 0.218 20 5 ECBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CCN2C1=O ZINC000566573015 439074378 /nfs/dbraw/zinc/07/43/78/439074378.db2.gz UWYFDLYJUOVARJ-NWDGAFQWSA-N 1 0 344.327 0.725 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2CCN(CC(F)F)CC2)c1 ZINC000591728798 439078927 /nfs/dbraw/zinc/07/89/27/439078927.db2.gz NUWBFAKKLDZODX-LBPRGKRZSA-N 1 0 333.339 0.471 20 5 ECBDRO C[S@](=O)c1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000591749932 439079486 /nfs/dbraw/zinc/07/94/86/439079486.db2.gz PFWCWCKRGSZMSK-ZLOXQWCVSA-N 1 0 338.389 0.679 20 5 ECBDRO COc1cccc2c1C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000567697666 439166592 /nfs/dbraw/zinc/16/65/92/439166592.db2.gz BFRBTJIJZDWKGC-GXTWGEPZSA-N 1 0 332.360 0.918 20 5 ECBDRO O=C1C[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000581126443 439171548 /nfs/dbraw/zinc/17/15/48/439171548.db2.gz LVBVIGILGVEBTL-RISCZKNCSA-N 1 0 335.360 0.687 20 5 ECBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1nc2sccn2c1[N+](=O)[O-] ZINC000591983049 439126213 /nfs/dbraw/zinc/12/62/13/439126213.db2.gz WCIOURATEFLNEE-SECBINFHSA-N 1 0 338.393 0.860 20 5 ECBDRO COc1cc(C(=O)N2CC(C[NH+]3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000597693854 439161377 /nfs/dbraw/zinc/16/13/77/439161377.db2.gz GANBGCFLBFGHSZ-UHFFFAOYSA-N 1 0 348.403 0.923 20 5 ECBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](O)Cc1ccccc1 ZINC000592431692 439226231 /nfs/dbraw/zinc/22/62/31/439226231.db2.gz ZVSRKKTULHYSPD-MAZHCROVSA-N 1 0 334.376 0.734 20 5 ECBDRO CN(CCN1CC[NH2+]CC1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592428461 439226448 /nfs/dbraw/zinc/22/64/48/439226448.db2.gz PVHGFPYHRCPDAB-UHFFFAOYSA-N 1 0 336.392 0.703 20 5 ECBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000592310761 439200628 /nfs/dbraw/zinc/20/06/28/439200628.db2.gz YMBAQVMOBLWPNH-IAQYHMDHSA-N 1 0 345.359 0.969 20 5 ECBDRO [NH3+]C[C@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CCCO1 ZINC000592342913 439210419 /nfs/dbraw/zinc/21/04/19/439210419.db2.gz HTXGEZQLFDMMBX-LBPRGKRZSA-N 1 0 345.359 0.970 20 5 ECBDRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000592373525 439212427 /nfs/dbraw/zinc/21/24/27/439212427.db2.gz VBALDRPAXMFYJH-JTQLQIEISA-N 1 0 329.378 0.976 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000592387389 439217794 /nfs/dbraw/zinc/21/77/94/439217794.db2.gz WUVMOURUJQGAFE-VHSXEESVSA-N 1 0 329.378 0.974 20 5 ECBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)n1 ZINC000598541860 439275599 /nfs/dbraw/zinc/27/55/99/439275599.db2.gz WQTXJVYOQDFBJO-GFCCVEGCSA-N 1 0 339.396 0.994 20 5 ECBDRO C[NH+](C)CCC[C@H]1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CCO1 ZINC000598541094 439276267 /nfs/dbraw/zinc/27/62/67/439276267.db2.gz SIKUNAHENBWFDC-LBPRGKRZSA-N 1 0 338.364 0.878 20 5 ECBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000592468410 439234160 /nfs/dbraw/zinc/23/41/60/439234160.db2.gz FTTSLQWMQRLPCE-JTQLQIEISA-N 1 0 335.364 0.104 20 5 ECBDRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000592493054 439240656 /nfs/dbraw/zinc/24/06/56/439240656.db2.gz VIOKAEUSBGJWMU-CYBMUJFWSA-N 1 0 336.348 0.031 20 5 ECBDRO C[NH+](C)[C@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000581694255 439242647 /nfs/dbraw/zinc/24/26/47/439242647.db2.gz KACURWAQPPTGNE-GJZGRUSLSA-N 1 0 336.392 0.920 20 5 ECBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCN(C)C[C@H]2C[NH3+])c1C ZINC000568870059 439284223 /nfs/dbraw/zinc/28/42/23/439284223.db2.gz KTIXXMXNCAXQCH-GFCCVEGCSA-N 1 0 342.421 0.475 20 5 ECBDRO [NH3+]C[C@H]1CCCn2ncc(C(=O)NCCn3cc([N+](=O)[O-])cn3)c21 ZINC000592564642 439254547 /nfs/dbraw/zinc/25/45/47/439254547.db2.gz NCBRYRVEMKBMJM-SNVBAGLBSA-N 1 0 333.352 0.254 20 5 ECBDRO O=C(NC[C@@H]1C[NH2+]CCO1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000592567091 439256865 /nfs/dbraw/zinc/25/68/65/439256865.db2.gz RJWBGSMPQQMEEY-AWEZNQCLSA-N 1 0 348.403 0.916 20 5 ECBDRO CCc1n[nH]c(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000598451854 439264854 /nfs/dbraw/zinc/26/48/54/439264854.db2.gz DGWVGCALZWLWEN-NSHDSACASA-N 1 0 337.380 0.552 20 5 ECBDRO COC[C@@H]1C[C@@H](O)C[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000593064856 439335017 /nfs/dbraw/zinc/33/50/17/439335017.db2.gz STSSMLYGZWSPLB-XQQFMLRXSA-N 1 0 326.349 0.416 20 5 ECBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000592882393 439297368 /nfs/dbraw/zinc/29/73/68/439297368.db2.gz XDPXYYIOGTUGIA-LBPRGKRZSA-N 1 0 334.376 0.716 20 5 ECBDRO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCC[NH2+]1 ZINC000598663141 439298827 /nfs/dbraw/zinc/29/88/27/439298827.db2.gz TYFBIBDGSUMCSO-GFCCVEGCSA-N 1 0 335.364 0.975 20 5 ECBDRO C[C@H]1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000598663672 439298885 /nfs/dbraw/zinc/29/88/85/439298885.db2.gz FTQKZOIRRVUPEC-GXFFZTMASA-N 1 0 335.364 0.912 20 5 ECBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598665243 439299675 /nfs/dbraw/zinc/29/96/75/439299675.db2.gz NTWXDTNQBYIRTP-GHMZBOCLSA-N 1 0 335.364 0.912 20 5 ECBDRO C[C@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599106937 439360195 /nfs/dbraw/zinc/36/01/95/439360195.db2.gz JFVPOZNGHQQKLM-JOYOIKCWSA-N 1 0 331.398 0.514 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H](CO)[C@H]1CCCOC1 ZINC000582486398 439341004 /nfs/dbraw/zinc/34/10/04/439341004.db2.gz LLGZLRXCHRFKIE-MJBXVCDLSA-N 1 0 340.376 0.712 20 5 ECBDRO C[C@@H](C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000593235861 439355967 /nfs/dbraw/zinc/35/59/67/439355967.db2.gz XSEAXYZRMKYRSC-CYBMUJFWSA-N 1 0 348.403 0.931 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)n1 ZINC000599100738 439356520 /nfs/dbraw/zinc/35/65/20/439356520.db2.gz MWLOFQULJLJSOD-MNOVXSKESA-N 1 0 343.409 0.481 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)n1 ZINC000599237432 439395902 /nfs/dbraw/zinc/39/59/02/439395902.db2.gz QGBKKIGXVNEPIX-NSHDSACASA-N 1 0 347.441 0.973 20 5 ECBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000599244984 439397239 /nfs/dbraw/zinc/39/72/39/439397239.db2.gz OUXZDVAZBRIHNS-QWRGUYRKSA-N 1 0 345.425 0.679 20 5 ECBDRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593542057 439398956 /nfs/dbraw/zinc/39/89/56/439398956.db2.gz DKEACNOJSPWGON-UHFFFAOYSA-N 1 0 328.394 0.952 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N(CC[NH+](C)C)C2CCCC2)n1 ZINC000599257825 439404642 /nfs/dbraw/zinc/40/46/42/439404642.db2.gz OYZQKFRTQUTVHO-UHFFFAOYSA-N 1 0 345.425 0.823 20 5 ECBDRO C[C@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000599216964 439386092 /nfs/dbraw/zinc/38/60/92/439386092.db2.gz WVWRJZSVYUGISM-GHMZBOCLSA-N 1 0 345.425 0.727 20 5 ECBDRO CN1CC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000583376794 439455380 /nfs/dbraw/zinc/45/53/80/439455380.db2.gz GHKUKAPIBHPOJD-QWHCGFSZSA-N 1 0 337.376 0.793 20 5 ECBDRO CCn1cc(S(=O)(=O)NC[C@H]2CCCC[N@H+](C)C2)c([N+](=O)[O-])n1 ZINC000599414486 439462268 /nfs/dbraw/zinc/46/22/68/439462268.db2.gz FIRMGSAFTOGQPR-LLVKDONJSA-N 1 0 345.425 0.821 20 5 ECBDRO C[C@@H]1CCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000570943838 439463331 /nfs/dbraw/zinc/46/33/31/439463331.db2.gz IQTFORUJWHHMOY-YPMHNXCESA-N 1 0 334.376 0.654 20 5 ECBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CCN2C1=O ZINC000583511171 439474761 /nfs/dbraw/zinc/47/47/61/439474761.db2.gz RZFVBTOAMOHLOP-BXKDBHETSA-N 1 0 338.751 0.632 20 5 ECBDRO CS(=O)(=O)c1cc(C(=O)NCCC2(C[NH3+])CC2)cc([N+](=O)[O-])c1 ZINC000593914399 439493974 /nfs/dbraw/zinc/49/39/74/439493974.db2.gz KCRHWVITWUDMAQ-UHFFFAOYSA-N 1 0 341.389 0.857 20 5 ECBDRO COc1cc(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1F ZINC000571342500 439495817 /nfs/dbraw/zinc/49/58/17/439495817.db2.gz GQAZFJIXGSWOFS-RYUDHWBXSA-N 1 0 327.312 0.489 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])c([N+](=O)[O-])n1 ZINC000593730916 439457309 /nfs/dbraw/zinc/45/73/09/439457309.db2.gz NMPYKOFYAYUTOB-QWRGUYRKSA-N 1 0 345.425 0.949 20 5 ECBDRO CC(=O)NCC(=O)N1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000599619721 439520189 /nfs/dbraw/zinc/52/01/89/439520189.db2.gz UWIXBCMBQQZXQS-UHFFFAOYSA-N 1 0 348.403 0.808 20 5 ECBDRO C[C@@H]1CN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C[C@@H]1[NH3+] ZINC000583988740 439535784 /nfs/dbraw/zinc/53/57/84/439535784.db2.gz ZPUMFAFNMRATRP-MFKMUULPSA-N 1 0 332.360 0.285 20 5 ECBDRO Cc1cc(NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000594315590 439540720 /nfs/dbraw/zinc/54/07/20/439540720.db2.gz HVCQEIASEUKAQE-QWHCGFSZSA-N 1 0 348.359 0.119 20 5 ECBDRO C[N@@H+]1CCN(CCNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1(C)C ZINC000594355840 439545473 /nfs/dbraw/zinc/54/54/73/439545473.db2.gz YNOXWWUAUNIQCW-UHFFFAOYSA-N 1 0 336.396 0.328 20 5 ECBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000609269144 439561055 /nfs/dbraw/zinc/56/10/55/439561055.db2.gz MAOAANMXKXMLRC-GFCCVEGCSA-N 1 0 325.369 0.408 20 5 ECBDRO [NH3+]C[C@@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C(F)(F)F ZINC000594450719 439561937 /nfs/dbraw/zinc/56/19/37/439561937.db2.gz VFHIRLLYSRGFMT-SNVBAGLBSA-N 1 0 344.253 0.795 20 5 ECBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000599900847 439573848 /nfs/dbraw/zinc/57/38/48/439573848.db2.gz STRCFYCBSSVQOW-UHFFFAOYSA-N 1 0 338.364 0.529 20 5 ECBDRO O=C(NC[C@@H]1COCC[NH2+]1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000599941188 439580378 /nfs/dbraw/zinc/58/03/78/439580378.db2.gz SGXHZERGVLLZEN-LLVKDONJSA-N 1 0 336.348 0.356 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cccc1[N+](=O)[O-] ZINC000599950553 439584561 /nfs/dbraw/zinc/58/45/61/439584561.db2.gz OUHPSDXAJIIJDK-MFKMUULPSA-N 1 0 334.376 0.776 20 5 ECBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000584530066 439598536 /nfs/dbraw/zinc/59/85/36/439598536.db2.gz KGLTVKZFBNEXOV-VXGBXAGGSA-N 1 0 336.392 0.838 20 5 ECBDRO [NH3+][C@@H]1C[C@H]2CN(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CCN2C1=O ZINC000594736411 439599632 /nfs/dbraw/zinc/59/96/32/439599632.db2.gz GBBXLHGQZSOBRF-NWDGAFQWSA-N 1 0 348.359 0.110 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@]1(O)CCS(=O)(=O)C1 ZINC000595041718 439651048 /nfs/dbraw/zinc/65/10/48/439651048.db2.gz OWXPFDRPTNPPQU-HZMBPMFUSA-N 1 0 344.389 0.804 20 5 ECBDRO COC[C@@]1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCC[NH2+]1 ZINC000595111811 439653880 /nfs/dbraw/zinc/65/38/80/439653880.db2.gz PSQSKJIWZHIIGG-LBPRGKRZSA-N 1 0 330.366 0.037 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[C@H](C)[NH+](C)C ZINC000595125374 439657483 /nfs/dbraw/zinc/65/74/83/439657483.db2.gz HYOBQOSBVDZZKW-JTQLQIEISA-N 1 0 338.364 0.998 20 5 ECBDRO CN1CCOC[C@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000600763309 439700570 /nfs/dbraw/zinc/70/05/70/439700570.db2.gz TZXKJUFNXFGEKP-ZIAGYGMSSA-N 1 0 325.365 0.255 20 5 ECBDRO CCc1nn(C)c(CC)c1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000574393314 439702103 /nfs/dbraw/zinc/70/21/03/439702103.db2.gz UATGCTNRQAIRHL-GFCCVEGCSA-N 1 0 336.396 0.800 20 5 ECBDRO C[NH2+]C1(CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000600824696 439707555 /nfs/dbraw/zinc/70/75/55/439707555.db2.gz NBHAUUFUQLLNKJ-UHFFFAOYSA-N 1 0 348.359 0.579 20 5 ECBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000611185091 439677520 /nfs/dbraw/zinc/67/75/20/439677520.db2.gz UVUYQIQWXMAGOK-LSDHHAIUSA-N 1 0 336.392 0.288 20 5 ECBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000595254019 439683936 /nfs/dbraw/zinc/68/39/36/439683936.db2.gz ZLQPQWKCFWVSAW-UHFFFAOYSA-N 1 0 348.359 0.882 20 5 ECBDRO O=C(N1CC[NH2+]CC1)N1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000600713694 439693373 /nfs/dbraw/zinc/69/33/73/439693373.db2.gz KSXNEXNJKGTPOP-UHFFFAOYSA-N 1 0 347.419 0.780 20 5 ECBDRO CC(C)[C@@]1(CO)CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000339708205 321000974 /nfs/dbraw/zinc/00/09/74/321000974.db2.gz DHEZXYANNFIAMP-CABCVRRESA-N 1 0 326.397 0.883 20 5 ECBDRO Cc1ccncc1N1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000340107574 321017131 /nfs/dbraw/zinc/01/71/31/321017131.db2.gz YGNONZKYJMOSIY-OAHLLOKOSA-N 1 0 346.391 0.678 20 5 ECBDRO CC(C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C(=O)NCC[NH+](C)C ZINC000340412533 321041909 /nfs/dbraw/zinc/04/19/09/321041909.db2.gz MEKCMAVAMKXFJM-GFCCVEGCSA-N 1 0 339.396 0.745 20 5 ECBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348785011 321288092 /nfs/dbraw/zinc/28/80/92/321288092.db2.gz CDPQWAQNLAWFHI-AWEZNQCLSA-N 1 0 344.375 0.825 20 5 ECBDRO C[NH+]1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)cn2)CC1 ZINC000349482955 321306886 /nfs/dbraw/zinc/30/68/86/321306886.db2.gz FZMULWPXAAQANR-UHFFFAOYSA-N 1 0 331.336 0.717 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccncc2OCC[NH+](C)C)n1 ZINC000356464196 321532254 /nfs/dbraw/zinc/53/22/54/321532254.db2.gz XWDLFOYZEKYMEK-UHFFFAOYSA-N 1 0 348.363 0.594 20 5 ECBDRO COc1ccc(CC(=O)NC[C@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000532789952 322061282 /nfs/dbraw/zinc/06/12/82/322061282.db2.gz WOKMMMZXBZLDOL-HNNXBMFYSA-N 1 0 325.365 0.575 20 5 ECBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000562824419 322286383 /nfs/dbraw/zinc/28/63/83/322286383.db2.gz DWJWKYHAIXPQRK-FZMZJTMJSA-N 1 0 334.376 0.939 20 5 ECBDRO COCCN1CC[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000563000351 322291997 /nfs/dbraw/zinc/29/19/97/322291997.db2.gz VJTWDPNXLMSMMJ-ZIAGYGMSSA-N 1 0 339.392 0.645 20 5 ECBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)N1CCCC[C@@H]1C ZINC000567690461 322592950 /nfs/dbraw/zinc/59/29/50/322592950.db2.gz BRGHSGXCNFSQPV-OBJOEFQTSA-N 1 0 339.396 0.531 20 5 ECBDRO C[NH+](C)CCCNC(=O)Cn1c(=O)onc1-c1cccc([N+](=O)[O-])c1 ZINC000569483870 322655308 /nfs/dbraw/zinc/65/53/08/322655308.db2.gz YACGFKSOPWEFBO-UHFFFAOYSA-N 1 0 349.347 0.479 20 5 ECBDRO COc1cc(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1OC ZINC000571418200 322721137 /nfs/dbraw/zinc/72/11/37/322721137.db2.gz XNFIFXZYRGTLMK-RYUDHWBXSA-N 1 0 339.348 0.359 20 5 ECBDRO C[C@@H](C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)[NH+]1CC(C)C1 ZINC000576597093 322810802 /nfs/dbraw/zinc/81/08/02/322810802.db2.gz HURUSJPUKPVQLN-ZDUSSCGKSA-N 1 0 333.392 0.979 20 5 ECBDRO Cc1c(NC(=O)[C@H](C)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000577189238 518186161 /nfs/dbraw/zinc/18/61/61/518186161.db2.gz WKPZREUHUYZRBR-CQDKDKBSSA-N 1 0 336.392 0.837 20 5 ECBDRO Cc1nn(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000181815266 534854580 /nfs/dbraw/zinc/85/45/80/534854580.db2.gz LDXDPDRUIVQTAP-ZDUSSCGKSA-N 1 0 339.396 0.573 20 5 ECBDRO CC[NH+]1CCN(CCNC(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000264957263 535703245 /nfs/dbraw/zinc/70/32/45/535703245.db2.gz YYFMNPDYQKHLBZ-UHFFFAOYSA-N 1 0 336.392 0.971 20 5 ECBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@@H](O)C[NH+]3CCCC3)C2)nc1 ZINC000749323221 579336562 /nfs/dbraw/zinc/33/65/62/579336562.db2.gz FBCODCMYSQGKLC-HIFRSBDPSA-N 1 0 335.408 0.933 20 5 ECBDRO COCC(=O)NC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000749679077 579340972 /nfs/dbraw/zinc/34/09/72/579340972.db2.gz URNPSKSCKLWSPE-OAHLLOKOSA-N 1 0 337.376 0.855 20 5 ECBDRO Cn1ccnc1C(=O)c1ccc(NC[C@H](O)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000732566897 578327564 /nfs/dbraw/zinc/32/75/64/578327564.db2.gz YCZSXLYOWNRAGN-LBPRGKRZSA-N 1 0 347.375 0.894 20 5 ECBDRO CNC(=O)C1([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000733998960 578351450 /nfs/dbraw/zinc/35/14/50/578351450.db2.gz IJOKIOHKHIIZHB-ZDUSSCGKSA-N 1 0 337.376 0.983 20 5 ECBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)N1CC[NH+](C)CC1 ZINC000736024874 578403789 /nfs/dbraw/zinc/40/37/89/578403789.db2.gz AUGAVMXAUVKILV-NSHDSACASA-N 1 0 346.395 0.823 20 5 ECBDRO CN1CC[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000786764114 578792851 /nfs/dbraw/zinc/79/28/51/578792851.db2.gz QIOLWNOGBHWVPD-UHFFFAOYSA-N 1 0 335.408 0.934 20 5 ECBDRO C[NH+](C)C1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 ZINC000775551310 579267963 /nfs/dbraw/zinc/26/79/63/579267963.db2.gz CEEXJKAEXMNOKW-UHFFFAOYSA-N 1 0 334.376 0.817 20 5 ECBDRO Cc1c(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000762718071 579546839 /nfs/dbraw/zinc/54/68/39/579546839.db2.gz NTLRZKFTDYCPPO-CQSZACIVSA-N 1 0 338.320 0.608 20 5 ECBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000841261719 588985171 /nfs/dbraw/zinc/98/51/71/588985171.db2.gz LOOSMYFONRNHHU-SKDRFNHKSA-N 1 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CCN(CC)C(=O)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000818975408 587462815 /nfs/dbraw/zinc/46/28/15/587462815.db2.gz NVBLQFFZRHHIRB-GFCCVEGCSA-N 1 0 325.365 0.793 20 5 ECBDRO CC(C)NS(=O)(=O)CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818984261 587463629 /nfs/dbraw/zinc/46/36/29/587463629.db2.gz CACKNHWOXKPZNY-CYBMUJFWSA-N 1 0 331.394 0.546 20 5 ECBDRO C[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC1(C)OCCO1 ZINC000819095916 587468541 /nfs/dbraw/zinc/46/85/41/587468541.db2.gz JSSIYRQWFVHWBW-WCQYABFASA-N 1 0 328.369 0.531 20 5 ECBDRO CS(=O)(=O)CCOCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819104159 587468676 /nfs/dbraw/zinc/46/86/76/587468676.db2.gz IFELGJGXMZCQSV-ZDUSSCGKSA-N 1 0 332.378 0.279 20 5 ECBDRO CS(=O)(=O)CCOCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819106739 587468881 /nfs/dbraw/zinc/46/88/81/587468881.db2.gz YETVLLJYKRUPCL-CYBMUJFWSA-N 1 0 332.378 0.279 20 5 ECBDRO CC[C@@H](O)C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000820933211 587565083 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DWBARJSSBQAHTQ-QFYYESIMSA-N 1 0 334.376 0.957 20 5 ECBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000363681915 204022315 /nfs/dbraw/zinc/02/23/15/204022315.db2.gz GTUSOWDVWYPSDU-UONOGXRCSA-N 1 0 348.359 0.513 20 5 ECBDRO CN1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C(C)(C)C1=O ZINC000129969090 205217576 /nfs/dbraw/zinc/21/75/76/205217576.db2.gz RAPAVFPUGRKKLH-ZDUSSCGKSA-N 1 0 337.376 0.887 20 5 ECBDRO [NH3+]C[C@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000159208087 206230824 /nfs/dbraw/zinc/23/08/24/206230824.db2.gz XHTQIDRRLSCLHC-JTQLQIEISA-N 1 0 340.767 0.832 20 5 ECBDRO CS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000160384735 206294638 /nfs/dbraw/zinc/29/46/38/206294638.db2.gz QSBMEHAKNTZXBM-JTQLQIEISA-N 1 0 327.362 0.562 20 5 ECBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000266179857 248152713 /nfs/dbraw/zinc/15/27/13/248152713.db2.gz YHYUNQIMOLRLCH-CQSZACIVSA-N 1 0 334.376 0.973 20 5 ECBDRO CC[N@H+](CCO)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450683981 211337681 /nfs/dbraw/zinc/33/76/81/211337681.db2.gz RAYBYQLQSICAKQ-UHFFFAOYSA-N 1 0 347.375 0.825 20 5 ECBDRO COc1cc(OCC(=O)NC[C@H]2C[NH2+]CCN2C)ccc1[N+](=O)[O-] ZINC000449697160 211291879 /nfs/dbraw/zinc/29/18/79/211291879.db2.gz LRPYIGUQPCAZIU-LLVKDONJSA-N 1 0 338.364 0.002 20 5 ECBDRO CN(C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C1CC([NH3+])C1 ZINC000449634102 211286923 /nfs/dbraw/zinc/28/69/23/211286923.db2.gz QPZRLIRWLLREFO-UHFFFAOYSA-N 1 0 335.364 0.342 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H](CO)[C@@H]2CCCO2)cc1 ZINC000447901100 211213453 /nfs/dbraw/zinc/21/34/53/211213453.db2.gz GCDHVZWQACOZRU-KGLIPLIRSA-N 1 0 344.389 0.498 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C[C@H](C)[NH3+])CC1 ZINC000442663795 210953374 /nfs/dbraw/zinc/95/33/74/210953374.db2.gz UIMLETMQXQBLBX-LBPRGKRZSA-N 1 0 342.421 0.557 20 5 ECBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000267835734 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FWKZQKCPFNBWJV-BBRMVZONSA-N 1 0 337.424 0.958 20 5 ECBDRO C[C@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC[C@@H]1[NH3+] ZINC000429169086 210302516 /nfs/dbraw/zinc/30/25/16/210302516.db2.gz GTPTYUHQMXQFEH-GWCFXTLKSA-N 1 0 330.348 0.985 20 5 ECBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418695851 208837805 /nfs/dbraw/zinc/83/78/05/208837805.db2.gz JZITVPZLHJSEQI-VXGBXAGGSA-N 1 0 349.391 0.798 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418954057 208923538 /nfs/dbraw/zinc/92/35/38/208923538.db2.gz XBHHXSIAWLQKIL-GFCCVEGCSA-N 1 0 336.348 0.073 20 5 ECBDRO Cc1ccc(NCCCNC(=O)C(=O)N(C)CC[NH3+])c([N+](=O)[O-])c1 ZINC000419456802 209099530 /nfs/dbraw/zinc/09/95/30/209099530.db2.gz UNNPDZOCSVWNCC-UHFFFAOYSA-N 1 0 337.380 0.239 20 5 ECBDRO COC(=O)Nc1ccc(S(=O)(=O)N(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000496938119 255143459 /nfs/dbraw/zinc/14/34/59/255143459.db2.gz AGKJVJZHQGQAJQ-UHFFFAOYSA-N 1 0 346.365 0.742 20 5 ECBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000419341672 209064241 /nfs/dbraw/zinc/06/42/41/209064241.db2.gz OPGYTJUKOGLRTH-CHWSQXEVSA-N 1 0 336.392 0.920 20 5 ECBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+]CC1 ZINC000419358503 209068385 /nfs/dbraw/zinc/06/83/85/209068385.db2.gz VEJKIIKFVQTIJP-UHFFFAOYSA-N 1 0 334.376 0.466 20 5 ECBDRO CN(CC[NH+](C)C)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000358543848 299734237 /nfs/dbraw/zinc/73/42/37/299734237.db2.gz TVHHQIRTKGBWDD-UHFFFAOYSA-N 1 0 336.348 0.340 20 5 ECBDRO [NH3+][C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000132312535 296669942 /nfs/dbraw/zinc/66/99/42/296669942.db2.gz QHNSDCXYIBHPDK-UWVGGRQHSA-N 1 0 338.389 0.821 20 5 ECBDRO Cc1cc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc([N+](=O)[O-])c1F ZINC000195305810 165078546 /nfs/dbraw/zinc/07/85/46/165078546.db2.gz YLSKQPQUCNVVTF-AOOOYVTPSA-N 1 0 329.353 0.882 20 5 ECBDRO Cn1c(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)ccc1[N+](=O)[O-] ZINC000261665757 165222646 /nfs/dbraw/zinc/22/26/46/165222646.db2.gz LDKPCJAJCSWSBJ-UHFFFAOYSA-N 1 0 330.348 0.990 20 5 ECBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 ZINC000261728485 165233285 /nfs/dbraw/zinc/23/32/85/165233285.db2.gz CSAWZSRFQWHNNS-AWEZNQCLSA-N 1 0 341.389 0.809 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000261858054 165253966 /nfs/dbraw/zinc/25/39/66/165253966.db2.gz FKFNBZBYNNUDDL-JTQLQIEISA-N 1 0 329.378 0.881 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261872449 165256013 /nfs/dbraw/zinc/25/60/13/165256013.db2.gz LNQQRKCJTHCAAJ-MNOVXSKESA-N 1 0 341.389 0.833 20 5 ECBDRO COCC[NH2+]CCNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000262293133 165323471 /nfs/dbraw/zinc/32/34/71/165323471.db2.gz NLGDWEHNDKWGNX-UHFFFAOYSA-N 1 0 333.366 0.118 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000262338241 165332549 /nfs/dbraw/zinc/33/25/49/165332549.db2.gz TZOQRTSKYAUXBW-KOLCDFICSA-N 1 0 329.378 0.961 20 5 ECBDRO COC[C@]1(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000262430967 165348377 /nfs/dbraw/zinc/34/83/77/165348377.db2.gz FWLQTXYNYLCRMH-CYBMUJFWSA-N 1 0 329.378 0.642 20 5 ECBDRO CC(C)([NH3+])C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000262436808 165349965 /nfs/dbraw/zinc/34/99/65/165349965.db2.gz LSOLDMZAIKLCFS-UHFFFAOYSA-N 1 0 344.393 0.264 20 5 ECBDRO COc1cc(S(=O)(=O)N(C)C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000123085721 222212704 /nfs/dbraw/zinc/21/27/04/222212704.db2.gz JGANOQZEBRONCJ-UHFFFAOYSA-N 1 0 329.378 0.976 20 5 ECBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000171533737 227127170 /nfs/dbraw/zinc/12/71/70/227127170.db2.gz NLFKRFRYJIVQOD-SECBINFHSA-N 1 0 326.378 0.583 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)NC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000194814234 263169190 /nfs/dbraw/zinc/16/91/90/263169190.db2.gz KKMRKUARALCBHT-UHFFFAOYSA-N 1 0 334.376 0.843 20 5 ECBDRO C[NH2+]C[C@@H](C)CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 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CC1(C)CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000332279988 297025590 /nfs/dbraw/zinc/02/55/90/297025590.db2.gz BIOJFFPOGMNJIM-UHFFFAOYSA-N 1 0 348.359 0.531 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CCC[C@H]2C[NH+](C)C)c([N+](=O)[O-])n1 ZINC000332648300 297062309 /nfs/dbraw/zinc/06/23/09/297062309.db2.gz KVAIBLBQWXFDGC-JTQLQIEISA-N 1 0 331.398 0.526 20 5 ECBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@@H]1[NH+](C)C ZINC000330817378 437623134 /nfs/dbraw/zinc/62/31/34/437623134.db2.gz CENDEBDJCKUSDN-QWRGUYRKSA-N 1 0 325.394 0.690 20 5 ECBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000344881687 298080550 /nfs/dbraw/zinc/08/05/50/298080550.db2.gz BOUGJCRBGASZKV-LBPRGKRZSA-N 1 0 335.364 0.247 20 5 ECBDRO C[N@@H+]1CC[C@H](CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000346278662 298248497 /nfs/dbraw/zinc/24/84/97/298248497.db2.gz CYEAICGIITYGKZ-LLVKDONJSA-N 1 0 348.359 0.388 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](n3cncn3)C2)c1 ZINC000364510843 300362952 /nfs/dbraw/zinc/36/29/52/300362952.db2.gz YFLKLUQIILCALC-KGLIPLIRSA-N 1 0 333.348 0.873 20 5 ECBDRO O=C1CCCN1[C@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075738404 436173714 /nfs/dbraw/zinc/17/37/14/436173714.db2.gz ZEEXBQRKNGLGSG-JSGCOSHPSA-N 1 0 337.380 0.239 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC1CC[NH+](C)CC1 ZINC000078473137 436269473 /nfs/dbraw/zinc/26/94/73/436269473.db2.gz LGXYIGIJIHLZED-NSHDSACASA-N 1 0 334.376 0.924 20 5 ECBDRO CCC[N@H+](C)C[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000081569244 436351089 /nfs/dbraw/zinc/35/10/89/436351089.db2.gz NWDVHAIYFMTKOK-ZFWWWQNUSA-N 1 0 325.413 0.816 20 5 ECBDRO C[NH+](C)[C@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1O ZINC000516192035 301660217 /nfs/dbraw/zinc/66/02/17/301660217.db2.gz POIIPKXRMOUBNP-GJZGRUSLSA-N 1 0 334.376 0.091 20 5 ECBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000090550906 436433007 /nfs/dbraw/zinc/43/30/07/436433007.db2.gz RSXZTALDGVBCGF-CQSZACIVSA-N 1 0 336.392 0.553 20 5 ECBDRO CC[C@@H](COC)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015406 436427596 /nfs/dbraw/zinc/42/75/96/436427596.db2.gz NMLLRBGYAAVMFS-NSHDSACASA-N 1 0 331.394 0.888 20 5 ECBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000090144831 436428515 /nfs/dbraw/zinc/42/85/15/436428515.db2.gz OQQKEAQZGKXAAU-UHFFFAOYSA-N 1 0 345.363 0.614 20 5 ECBDRO CCC[N@@H+](CC(=O)NC)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000056508988 436593128 /nfs/dbraw/zinc/59/31/28/436593128.db2.gz GDCQSVLHSATCAQ-ZDUSSCGKSA-N 1 0 325.365 0.793 20 5 ECBDRO C[C@@H]1CN(CC[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000195311100 436688095 /nfs/dbraw/zinc/68/80/95/436688095.db2.gz FCYLWOCKOWEGMG-VNHYZAJKSA-N 1 0 341.412 0.193 20 5 ECBDRO C[C@@H]1C[NH+](CCCNC(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000067289099 436710166 /nfs/dbraw/zinc/71/01/66/436710166.db2.gz CHKQOCJLFVCQPU-CHWSQXEVSA-N 1 0 339.396 0.797 20 5 ECBDRO COCC[NH2+]CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000152281402 436724660 /nfs/dbraw/zinc/72/46/60/436724660.db2.gz YTNCNLRXAMXJNZ-UHFFFAOYSA-N 1 0 333.348 0.746 20 5 ECBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000237140349 436725915 /nfs/dbraw/zinc/72/59/15/436725915.db2.gz MVXBPBOYTIQDCI-LBPRGKRZSA-N 1 0 330.348 1.000 20 5 ECBDRO COc1cc[nH+]c(N2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)c1 ZINC000152653285 436737333 /nfs/dbraw/zinc/73/73/33/436737333.db2.gz IREVLNBELQJUNK-UHFFFAOYSA-N 1 0 332.320 0.684 20 5 ECBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCN2CC[NH2+]CC2)cc1C ZINC000237666711 436740713 /nfs/dbraw/zinc/74/07/13/436740713.db2.gz KAOIBYLKLUNWPH-UHFFFAOYSA-N 1 0 342.421 0.395 20 5 ECBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000237895485 436747179 /nfs/dbraw/zinc/74/71/79/436747179.db2.gz AQJVPYBWZHMDGN-SNVBAGLBSA-N 1 0 338.339 0.661 20 5 ECBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000069502463 436778030 /nfs/dbraw/zinc/77/80/30/436778030.db2.gz VCQLXXDUNPNMAL-GFCCVEGCSA-N 1 0 325.369 0.327 20 5 ECBDRO C[NH+](C)CCn1cc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)cn1 ZINC000125947729 436779876 /nfs/dbraw/zinc/77/98/76/436779876.db2.gz KMORCFCDESJUFQ-UHFFFAOYSA-N 1 0 336.356 0.371 20 5 ECBDRO O=C(N[C@H]1CC[NH2+]C1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000126350422 436786561 /nfs/dbraw/zinc/78/65/61/436786561.db2.gz WRFRZRRJIUKPBX-VHSXEESVSA-N 1 0 338.389 0.739 20 5 ECBDRO CCCNC(=O)[C@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247352821 436793179 /nfs/dbraw/zinc/79/31/79/436793179.db2.gz GVEBHSPSVGEKNH-GXTWGEPZSA-N 1 0 339.396 0.390 20 5 ECBDRO COc1cc(S(=O)(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1[N+](=O)[O-] ZINC000248588236 436806296 /nfs/dbraw/zinc/80/62/96/436806296.db2.gz GQIIGXFFUZAFRK-DLOVCJGASA-N 1 0 341.389 0.961 20 5 ECBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)Cn3cc([N+](=O)[O-])nc3C)[C@H]2C1 ZINC000293902895 436918910 /nfs/dbraw/zinc/91/89/10/436918910.db2.gz MZWPJADGNPZICV-QWHCGFSZSA-N 1 0 337.380 0.421 20 5 ECBDRO CN(CC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000262360120 436928287 /nfs/dbraw/zinc/92/82/87/436928287.db2.gz KIRDMHQGZQEPJV-CQSZACIVSA-N 1 0 347.419 0.537 20 5 ECBDRO Cc1c(C(=O)N2CCO[C@H](C[NH3+])C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000274807437 436875155 /nfs/dbraw/zinc/87/51/55/436875155.db2.gz QEFGKMXRKANFMX-SNVBAGLBSA-N 1 0 338.320 0.920 20 5 ECBDRO C[NH2+][C@H](C)CNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000261723915 436884597 /nfs/dbraw/zinc/88/45/97/436884597.db2.gz KZVBWHNTLQGOFR-MRVPVSSYSA-N 1 0 326.378 0.510 20 5 ECBDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000161439031 436889678 /nfs/dbraw/zinc/88/96/78/436889678.db2.gz OJFXRZDDBDDANS-GFCCVEGCSA-N 1 0 335.357 0.325 20 5 ECBDRO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000275132111 436927549 /nfs/dbraw/zinc/92/75/49/436927549.db2.gz RZTHNOXGWUOVRU-VIFPVBQESA-N 1 0 335.286 0.792 20 5 ECBDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000295421871 436967022 /nfs/dbraw/zinc/96/70/22/436967022.db2.gz CMFFEFVCFDATMS-MCIONIFRSA-N 1 0 340.380 0.864 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000171133620 436969545 /nfs/dbraw/zinc/96/95/45/436969545.db2.gz GCGIUORTJSFHNQ-LBPRGKRZSA-N 1 0 338.412 0.242 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](OCc3ccncc3)C2)c1 ZINC000280935532 436934807 /nfs/dbraw/zinc/93/48/07/436934807.db2.gz HLJYWYCVPBJXAD-JKSUJKDBSA-N 1 0 347.375 0.838 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000275196300 436937768 /nfs/dbraw/zinc/93/77/68/436937768.db2.gz GQWBCUHKDXGJLF-GHMZBOCLSA-N 1 0 325.369 0.013 20 5 ECBDRO COC1(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC[NH2+]CC1 ZINC000169191643 436942610 /nfs/dbraw/zinc/94/26/10/436942610.db2.gz UJJXLNCUGRWPPZ-LBPRGKRZSA-N 1 0 349.391 0.771 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170860902 436957246 /nfs/dbraw/zinc/95/72/46/436957246.db2.gz ZYTPQHLBOKIRRC-SMDDNHRTSA-N 1 0 334.376 0.876 20 5 ECBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000264485520 437036329 /nfs/dbraw/zinc/03/63/29/437036329.db2.gz INRCSGBVIZUGHT-CQSZACIVSA-N 1 0 334.376 0.593 20 5 ECBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000264504958 437039472 /nfs/dbraw/zinc/03/94/72/437039472.db2.gz KSTQVUFSEQXRQU-AWEZNQCLSA-N 1 0 349.391 0.463 20 5 ECBDRO Cn1ccnc1[C@H]1C[NH2+]CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000261679978 303010001 /nfs/dbraw/zinc/01/00/01/303010001.db2.gz DBDPTDQHYPIKCW-CQSZACIVSA-N 1 0 344.375 0.574 20 5 ECBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC[N@H+](C)CC1 ZINC000331571223 437121750 /nfs/dbraw/zinc/12/17/50/437121750.db2.gz YQCLBMCHIKLXJA-GFCCVEGCSA-N 1 0 338.412 0.991 20 5 ECBDRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000332013868 437194413 /nfs/dbraw/zinc/19/44/13/437194413.db2.gz YMQHPOIQJKWSOG-GFCCVEGCSA-N 1 0 330.348 0.706 20 5 ECBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)c1C ZINC000322368351 437216262 /nfs/dbraw/zinc/21/62/62/437216262.db2.gz DCMGKOISJCDGLI-AAEUAGOBSA-N 1 0 343.405 0.948 20 5 ECBDRO Cc1ccc(S(=O)(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC000331826342 437166300 /nfs/dbraw/zinc/16/63/00/437166300.db2.gz PPYSKNWUOFSRTB-QWHCGFSZSA-N 1 0 327.362 0.265 20 5 ECBDRO CCCc1n[nH]c(C(=O)NCCCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000265639512 437166470 /nfs/dbraw/zinc/16/64/70/437166470.db2.gz LLSIFYFWCYUBKO-UHFFFAOYSA-N 1 0 338.412 0.638 20 5 ECBDRO C[NH+](C)CC(=O)N1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178856753 437236159 /nfs/dbraw/zinc/23/61/59/437236159.db2.gz BTYFHDLVGFQLMQ-HNNXBMFYSA-N 1 0 336.392 0.334 20 5 ECBDRO C[C@H](CO)Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000267167528 437299740 /nfs/dbraw/zinc/29/97/40/437299740.db2.gz HFOOVSWHMFSRRV-SNVBAGLBSA-N 1 0 346.409 0.227 20 5 ECBDRO O=C1C[C@@]2(CC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)CN1 ZINC000278858123 437350571 /nfs/dbraw/zinc/35/05/71/437350571.db2.gz KYUYBUJNUOAWDR-CJNGLKHVSA-N 1 0 335.360 0.547 20 5 ECBDRO O=c1nc([C@@H]2CCC[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)[nH][nH]1 ZINC000289406194 437408573 /nfs/dbraw/zinc/40/85/73/437408573.db2.gz LJHFPXMBYABFGC-DGCLKSJQSA-N 1 0 333.348 0.919 20 5 ECBDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184732936 437411517 /nfs/dbraw/zinc/41/15/17/437411517.db2.gz ONNMPHZPQGUAIT-CYBMUJFWSA-N 1 0 331.394 0.327 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000269242936 437474799 /nfs/dbraw/zinc/47/47/99/437474799.db2.gz YXJPUIPWDBVFMF-COPLHBTASA-N 1 0 334.376 0.909 20 5 ECBDRO C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000290379594 437480577 /nfs/dbraw/zinc/48/05/77/437480577.db2.gz HKHPCCLONVZJRC-CMPLNLGQSA-N 1 0 336.348 0.631 20 5 ECBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(Cn2cncn2)CC1 ZINC000186238591 437466737 /nfs/dbraw/zinc/46/67/37/437466737.db2.gz LGAGZPRSMFFJEO-UHFFFAOYSA-N 1 0 332.364 0.760 20 5 ECBDRO C[NH2+]C[C@H]1CCCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000269198760 437467113 /nfs/dbraw/zinc/46/71/13/437467113.db2.gz STYGTANPHMXMEK-CQSZACIVSA-N 1 0 334.376 0.925 20 5 ECBDRO Cc1cc(N2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n[nH]1 ZINC000187239112 437493738 /nfs/dbraw/zinc/49/37/38/437493738.db2.gz GMQFOFKBNGVHQT-CYBMUJFWSA-N 1 0 335.368 0.006 20 5 ECBDRO CCn1cc(S(=O)(=O)N(C)C[C@@H]2CC[N@H+](C)C2)c([N+](=O)[O-])n1 ZINC000330455989 437518088 /nfs/dbraw/zinc/51/80/88/437518088.db2.gz OQZAKESSIROMCO-SNVBAGLBSA-N 1 0 331.398 0.383 20 5 ECBDRO CS[C@H]1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000290941559 437544186 /nfs/dbraw/zinc/54/41/86/437544186.db2.gz LLXQMMUBYLUVFX-UWVGGRQHSA-N 1 0 325.394 0.571 20 5 ECBDRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000330612984 437568526 /nfs/dbraw/zinc/56/85/26/437568526.db2.gz RNBJSCNFXYDLBS-NWDGAFQWSA-N 1 0 331.398 0.241 20 5 ECBDRO C[C@H]1C[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])nn2C)C[C@H](C)O1 ZINC000360734838 437640569 /nfs/dbraw/zinc/64/05/69/437640569.db2.gz FKAGKFLZGRBTHW-RYUDHWBXSA-N 1 0 339.396 0.948 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H](CO)C1CCOCC1 ZINC000343740788 437642960 /nfs/dbraw/zinc/64/29/60/437642960.db2.gz FXDBSMLKSBMMAC-ZIAGYGMSSA-N 1 0 340.376 0.712 20 5 ECBDRO C[C@@H]1COCC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000192509330 437681135 /nfs/dbraw/zinc/68/11/35/437681135.db2.gz PKCIZWLJRCDFHA-RISCZKNCSA-N 1 0 343.405 0.888 20 5 ECBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000192505558 437680374 /nfs/dbraw/zinc/68/03/74/437680374.db2.gz COEHABZMMIYBQN-BNOWGMLFSA-N 1 0 346.387 0.733 20 5 ECBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])cc3S(N)(=O)=O)C2)C1 ZINC000292419315 437690584 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0.418 20 5 ECBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000415318317 437781170 /nfs/dbraw/zinc/78/11/70/437781170.db2.gz GISNPJNPRQYPPL-UHFFFAOYSA-N 1 0 349.391 0.117 20 5 ECBDRO C[NH+](C)CCN1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000363487229 437795974 /nfs/dbraw/zinc/79/59/74/437795974.db2.gz XGXWYSGEAWTQJF-UHFFFAOYSA-N 1 0 335.408 0.887 20 5 ECBDRO O=C(NC[C@@H]1C[NH2+]CCO1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000423996337 437872149 /nfs/dbraw/zinc/87/21/49/437872149.db2.gz WNRWCQNCJSGUCU-ZDUSSCGKSA-N 1 0 331.332 0.499 20 5 ECBDRO O=C(NC[C@@H]1C[NH2+]CCO1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000423992653 437873978 /nfs/dbraw/zinc/87/39/78/437873978.db2.gz PEMJFFLFSBNFNY-LBPRGKRZSA-N 1 0 331.332 0.499 20 5 ECBDRO [NH3+][C@H]1CCCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000347352326 437877009 /nfs/dbraw/zinc/87/70/09/437877009.db2.gz CXPLYVIDOTVYPK-LBPRGKRZSA-N 1 0 335.364 0.344 20 5 ECBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415672889 437840553 /nfs/dbraw/zinc/84/05/53/437840553.db2.gz LWRSOPCQWCDXHY-TXEJJXNPSA-N 1 0 332.360 0.774 20 5 ECBDRO C[C@H]1C[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])nn2C)CCCO1 ZINC000347159989 437843687 /nfs/dbraw/zinc/84/36/87/437843687.db2.gz MTTNWUZHELSFIW-NSHDSACASA-N 1 0 325.369 0.559 20 5 ECBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000423908160 437854233 /nfs/dbraw/zinc/85/42/33/437854233.db2.gz SEVGNRJFNMIUKM-UHFFFAOYSA-N 1 0 329.360 0.910 20 5 ECBDRO C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371300439 437914870 /nfs/dbraw/zinc/91/48/70/437914870.db2.gz ACZDKFNQPHPABV-LSDHHAIUSA-N 1 0 336.440 0.749 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000365543494 437930912 /nfs/dbraw/zinc/93/09/12/437930912.db2.gz CQSODDPGRUBRCS-QEJZJMRPSA-N 1 0 346.387 0.699 20 5 ECBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000371268331 437909391 /nfs/dbraw/zinc/90/93/91/437909391.db2.gz JDTHBSNMEOAOIH-ZDUSSCGKSA-N 1 0 330.348 0.800 20 5 ECBDRO O=C(C[C@@H]1COCC[NH2+]1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000357246608 437946175 /nfs/dbraw/zinc/94/61/75/437946175.db2.gz YJCAMDBCFCUQDB-NWDGAFQWSA-N 1 0 335.364 0.381 20 5 ECBDRO C[N@@H+]1CC[C@@H]2CCN(c3cc([N+](=O)[O-])ccc3S(N)(=O)=O)C[C@H]21 ZINC000371702654 437980773 /nfs/dbraw/zinc/98/07/73/437980773.db2.gz ZCBQZXSVQDCCMG-ZWNOBZJWSA-N 1 0 340.405 0.773 20 5 ECBDRO Cc1cc(S(=O)(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c(C)cc1[N+](=O)[O-] ZINC000416460939 437936506 /nfs/dbraw/zinc/93/65/06/437936506.db2.gz XPQUYXYLNBLEMU-AWEZNQCLSA-N 1 0 343.405 0.557 20 5 ECBDRO C[NH+](C)C1CCN(CCNc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000357508290 438001097 /nfs/dbraw/zinc/00/10/97/438001097.db2.gz ZOWCFRXLBSFPCB-UHFFFAOYSA-N 1 0 336.396 0.527 20 5 ECBDRO COCC(C)(C)[NH+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000424994496 438005706 /nfs/dbraw/zinc/00/57/06/438005706.db2.gz YLAKABMGPLTYKI-UHFFFAOYSA-N 1 0 338.364 0.878 20 5 ECBDRO COc1c(F)cc(S(=O)(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000366312489 438051816 /nfs/dbraw/zinc/05/18/16/438051816.db2.gz QDRNBCGYHORSKQ-VROVMSAKSA-N 1 0 331.325 0.239 20 5 ECBDRO NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000372346450 438076139 /nfs/dbraw/zinc/07/61/39/438076139.db2.gz NOVVEKBEQRVVDA-UBHSHLNASA-N 1 0 334.376 0.875 20 5 ECBDRO COC(=O)c1cc(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000358058764 438137559 /nfs/dbraw/zinc/13/75/59/438137559.db2.gz QSHPUHGCLIWFKS-HNNXBMFYSA-N 1 0 337.332 0.178 20 5 ECBDRO C[N@@H+]1CC[C@](O)(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000358068960 438142340 /nfs/dbraw/zinc/14/23/40/438142340.db2.gz RZTVXOPHYDRRLN-AWEZNQCLSA-N 1 0 327.768 0.974 20 5 ECBDRO C[C@@H](C[NH3+])CNC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418467512 438148792 /nfs/dbraw/zinc/14/87/92/438148792.db2.gz ABQGPUIOGOKULQ-LBPRGKRZSA-N 1 0 349.391 0.657 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@]2(CO)CCCc3ccccc32)c1 ZINC000374149544 438188912 /nfs/dbraw/zinc/18/89/12/438188912.db2.gz SYPGZCBOZIVKLX-DOTOQJQBSA-N 1 0 346.387 0.966 20 5 ECBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@H](C[NH3+])C1 ZINC000373485691 438154047 /nfs/dbraw/zinc/15/40/47/438154047.db2.gz RMZPEQNQSZXHJW-SECBINFHSA-N 1 0 349.796 0.905 20 5 ECBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000418860621 438222901 /nfs/dbraw/zinc/22/29/01/438222901.db2.gz DCNFLFRXBFEIEW-JSGCOSHPSA-N 1 0 348.403 0.839 20 5 ECBDRO O=c1[nH]c(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nc2ccc([N+](=O)[O-])cc21 ZINC000367714639 438241077 /nfs/dbraw/zinc/24/10/77/438241077.db2.gz DBOYNLZKGZREHX-VXGBXAGGSA-N 1 0 345.359 1.519 20 5 ECBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000375771879 438262130 /nfs/dbraw/zinc/26/21/30/438262130.db2.gz LBTAGQRQIXQZIM-OLZOCXBDSA-N 1 0 335.364 0.124 20 5 ECBDRO CCn1cc(S(=O)(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])n1 ZINC000351477170 438266978 /nfs/dbraw/zinc/26/69/78/438266978.db2.gz MUULJLPJUQPMJO-AEJSXWLSSA-N 1 0 329.382 0.169 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351554276 438287427 /nfs/dbraw/zinc/28/74/27/438287427.db2.gz HQIXRSXLFAYIAI-GFCCVEGCSA-N 1 0 336.348 0.088 20 5 ECBDRO CCOC(=O)C1(NC(=O)c2ccc([N+](=O)[O-])cn2)CC[NH+](C)CC1 ZINC000367790433 438250337 /nfs/dbraw/zinc/25/03/37/438250337.db2.gz IATCHZZTVXMBOM-UHFFFAOYSA-N 1 0 336.348 0.747 20 5 ECBDRO C[C@@H]1CCCN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000418923035 438251039 /nfs/dbraw/zinc/25/10/39/438251039.db2.gz LZNJQKBKSLEZKC-IUODEOHRSA-N 1 0 348.403 0.839 20 5 ECBDRO C[C@@H](NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000418923248 438251351 /nfs/dbraw/zinc/25/13/51/438251351.db2.gz MQRDKPGDJNCEGJ-TZMCWYRMSA-N 1 0 348.403 0.758 20 5 ECBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000419038157 438300723 /nfs/dbraw/zinc/30/07/23/438300723.db2.gz IZBMXKKYMAHSRK-AAEUAGOBSA-N 1 0 334.376 0.368 20 5 ECBDRO O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419039097 438300876 /nfs/dbraw/zinc/30/08/76/438300876.db2.gz KLVRNWKLKXNVHY-KRWDZBQOSA-N 1 0 346.387 0.466 20 5 ECBDRO C[N@@H+]1CC[C@H]2CCN(c3cccc(S(N)(=O)=O)c3[N+](=O)[O-])C[C@@H]21 ZINC000368294191 438311000 /nfs/dbraw/zinc/31/10/00/438311000.db2.gz OYHKLSWCQRDOIO-JQWIXIFHSA-N 1 0 340.405 0.773 20 5 ECBDRO C[N@@H+]1CCCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000369137483 438427141 /nfs/dbraw/zinc/42/71/41/438427141.db2.gz MJSNHABMZZOJBQ-UHFFFAOYSA-N 1 0 330.348 0.953 20 5 ECBDRO Cc1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000389870272 438429838 /nfs/dbraw/zinc/42/98/38/438429838.db2.gz BYEBYMNEQIWUNQ-NSHDSACASA-N 1 0 329.378 0.560 20 5 ECBDRO CS(=O)(=O)c1cc(C(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000359423753 438432887 /nfs/dbraw/zinc/43/28/87/438432887.db2.gz MDDHGEUBYHSUGT-GHMZBOCLSA-N 1 0 339.373 0.290 20 5 ECBDRO CN1CCC([N@@H+]2CC[C@H](NC(=O)Cn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000369273671 438446402 /nfs/dbraw/zinc/44/64/02/438446402.db2.gz IKSLYTQFULBQKJ-LBPRGKRZSA-N 1 0 336.396 0.076 20 5 ECBDRO CNC(=O)[C@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000420974999 438453016 /nfs/dbraw/zinc/45/30/16/438453016.db2.gz NLCLYYFPWUSAPY-SMDDNHRTSA-N 1 0 332.360 0.768 20 5 ECBDRO C[C@]1(C2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)NC(=O)NC1=O ZINC000437875624 438457822 /nfs/dbraw/zinc/45/78/22/438457822.db2.gz WHOZUDHELDUQBV-CQSZACIVSA-N 1 0 336.352 0.101 20 5 ECBDRO COc1cc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000440404277 438550433 /nfs/dbraw/zinc/55/04/33/438550433.db2.gz BNJHGTRKHSFJCL-ONGXEEELSA-N 1 0 329.378 0.961 20 5 ECBDRO O=C1CNC(=O)N1CCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440507033 438554285 /nfs/dbraw/zinc/55/42/85/438554285.db2.gz SHRQBJIDTRIONK-LLVKDONJSA-N 1 0 348.363 0.418 20 5 ECBDRO COc1c(F)cc(S(=O)(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000440840522 438567996 /nfs/dbraw/zinc/56/79/96/438567996.db2.gz ACQVFKQXNVHGJH-GMSGAONNSA-N 1 0 333.341 0.710 20 5 ECBDRO C[C@H]1CN(C(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC[NH2+]1 ZINC000423095303 438638277 /nfs/dbraw/zinc/63/82/77/438638277.db2.gz DQFSHLLYEKJNOQ-LBPRGKRZSA-N 1 0 346.387 0.906 20 5 ECBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452393345 438660477 /nfs/dbraw/zinc/66/04/77/438660477.db2.gz SJCWQDRMDKNJTH-AWEZNQCLSA-N 1 0 337.376 0.937 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCCN(CCCO)C2)s1 ZINC000451673189 438706045 /nfs/dbraw/zinc/70/60/45/438706045.db2.gz UVCJYDSYHKVVCN-JTQLQIEISA-N 1 0 349.434 0.781 20 5 ECBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[N@H+]1CCCO ZINC000452786381 438673569 /nfs/dbraw/zinc/67/35/69/438673569.db2.gz VAUALZCPURNCSL-ZDUSSCGKSA-N 1 0 336.392 0.970 20 5 ECBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000449750758 438687965 /nfs/dbraw/zinc/68/79/65/438687965.db2.gz WHCOKWAUIRYGRH-ZDUSSCGKSA-N 1 0 348.359 0.577 20 5 ECBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1CCCC[N@H+]1CCO ZINC000452387306 438657853 /nfs/dbraw/zinc/65/78/53/438657853.db2.gz GVBDFUDGIPTKJW-CYBMUJFWSA-N 1 0 337.376 0.937 20 5 ECBDRO Nc1nccc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000548090845 438724702 /nfs/dbraw/zinc/72/47/02/438724702.db2.gz ROQWCIBKJXIRRQ-NSHDSACASA-N 1 0 335.364 0.366 20 5 ECBDRO O=C([C@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1)N1CC[NH2+]CC1 ZINC000574907624 438727440 /nfs/dbraw/zinc/72/74/40/438727440.db2.gz WKJFKUDXHAAMND-JTQLQIEISA-N 1 0 325.394 0.700 20 5 ECBDRO C[NH+]1CCN(c2ccc(NC(=O)c3c[nH]nc3[N+](=O)[O-])cn2)CC1 ZINC000555723712 438776288 /nfs/dbraw/zinc/77/62/88/438776288.db2.gz LTYCZBZMYNLLBL-UHFFFAOYSA-N 1 0 331.336 0.717 20 5 ECBDRO C[NH+](C)[C@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1O ZINC000555877025 438778958 /nfs/dbraw/zinc/77/89/58/438778958.db2.gz AFQUNVMLHLEGCU-STQMWFEESA-N 1 0 342.783 0.793 20 5 ECBDRO [NH3+][C@H]1C[C@H]2CN(C(=O)NCCc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000576600188 438790085 /nfs/dbraw/zinc/79/00/85/438790085.db2.gz UMQUJBVMLLTIRP-STQMWFEESA-N 1 0 347.375 0.091 20 5 ECBDRO COc1cc(C(=O)N[C@@H](CO)C[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000588864446 438846893 /nfs/dbraw/zinc/84/68/93/438846893.db2.gz JGENKXOHXYRNNB-SECBINFHSA-N 1 0 327.337 0.264 20 5 ECBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000590044076 438898945 /nfs/dbraw/zinc/89/89/45/438898945.db2.gz GNLZRIIGGCAQIT-NHYWBVRUSA-N 1 0 342.359 0.952 20 5 ECBDRO COc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590279226 438905669 /nfs/dbraw/zinc/90/56/69/438905669.db2.gz ANJXTRRGJPZLPF-ZWNOBZJWSA-N 1 0 348.359 0.704 20 5 ECBDRO C[NH2+]C[C@@H](C)NC(=O)c1cc(OC)c(OCCOC)cc1[N+](=O)[O-] ZINC000595984004 438908526 /nfs/dbraw/zinc/90/85/26/438908526.db2.gz SRWAFHGQBBAPDW-SNVBAGLBSA-N 1 0 341.364 0.966 20 5 ECBDRO Cc1c(NC(=O)CC[N@@H+]2CCC(CO)(CO)C2)cccc1[N+](=O)[O-] ZINC000595798772 438863181 /nfs/dbraw/zinc/86/31/81/438863181.db2.gz GMNYELQZKXXMLH-UHFFFAOYSA-N 1 0 337.376 0.909 20 5 ECBDRO NC(=O)c1ccc(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)c([N+](=O)[O-])c1 ZINC000595863801 438873161 /nfs/dbraw/zinc/87/31/61/438873161.db2.gz OYHNDUDLGOBLGQ-HNNXBMFYSA-N 1 0 348.403 0.725 20 5 ECBDRO Cc1cc(S(=O)(=O)NCCN2CC[NH+](C)CC2)c([N+](=O)[O-])s1 ZINC000601399402 438875523 /nfs/dbraw/zinc/87/55/23/438875523.db2.gz PBICMGQDCAGGRA-UHFFFAOYSA-N 1 0 348.450 0.490 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595990057 438908116 /nfs/dbraw/zinc/90/81/16/438908116.db2.gz NVDSIXFPWWRBIZ-ZWKOPEQDSA-N 1 0 338.339 0.611 20 5 ECBDRO COc1ccc(NC(=O)CN2CC[C@@H](F)[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000595907465 438885394 /nfs/dbraw/zinc/88/53/94/438885394.db2.gz UZALSRVFAFQGAM-GHMZBOCLSA-N 1 0 326.328 0.913 20 5 ECBDRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000595944119 438892148 /nfs/dbraw/zinc/89/21/48/438892148.db2.gz VEXJCPMSOSEZEA-GJZGRUSLSA-N 1 0 334.376 0.607 20 5 ECBDRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)CCNc2ccccc2[N+](=O)[O-])n1 ZINC000595947352 438893618 /nfs/dbraw/zinc/89/36/18/438893618.db2.gz KKLGHUDQORAVOJ-UHFFFAOYSA-N 1 0 346.347 0.668 20 5 ECBDRO Cc1c(C(=O)N[C@]2(C)CC[NH2+]C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000595993134 438909773 /nfs/dbraw/zinc/90/97/73/438909773.db2.gz VYSZFBQWROAJFG-OAHLLOKOSA-N 1 0 330.348 0.966 20 5 ECBDRO C[N@@H+]1C[C@H]2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590440747 438923700 /nfs/dbraw/zinc/92/37/00/438923700.db2.gz BJPPUDSHGNPIKW-TZMCWYRMSA-N 1 0 332.360 0.487 20 5 ECBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000590447260 438926003 /nfs/dbraw/zinc/92/60/03/438926003.db2.gz WZTCRVGMQRHMHX-DOMZBBRYSA-N 1 0 342.359 0.952 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCOC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000590564013 438932694 /nfs/dbraw/zinc/93/26/94/438932694.db2.gz BSXKNDJKDYPTGY-CHWSQXEVSA-N 1 0 337.380 0.421 20 5 ECBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596170141 438937397 /nfs/dbraw/zinc/93/73/97/438937397.db2.gz WZCIHEQCHQKMFB-LBPRGKRZSA-N 1 0 335.364 0.438 20 5 ECBDRO C[C@@H](CN(C)CCC[NH+](C)C)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000596364431 438957813 /nfs/dbraw/zinc/95/78/13/438957813.db2.gz OASCWUWZVHNAMZ-NSHDSACASA-N 1 0 338.412 0.773 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCN1CCC(O)CC1 ZINC000566068305 439003318 /nfs/dbraw/zinc/00/33/18/439003318.db2.gz CIBHGORTHCTORW-CQSZACIVSA-N 1 0 339.392 0.381 20 5 ECBDRO O=C(CN1CC[C@@H]2CC[NH2+][C@@H]2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000591449325 439014049 /nfs/dbraw/zinc/01/40/49/439014049.db2.gz VIZNBMKCMXDCLI-CMPLNLGQSA-N 1 0 348.359 0.946 20 5 ECBDRO CNS(=O)(=O)c1ccc(N2CC[C@@H]3CC[NH2+][C@H]3C2)c([N+](=O)[O-])c1 ZINC000591438983 439014097 /nfs/dbraw/zinc/01/40/97/439014097.db2.gz PURUEZAEPNWMFP-JQWIXIFHSA-N 1 0 340.405 0.691 20 5 ECBDRO CCCc1[nH]nc(C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)c1[N+](=O)[O-] ZINC000566200002 439021800 /nfs/dbraw/zinc/02/18/00/439021800.db2.gz JZGHOFJRVQABRU-UHFFFAOYSA-N 1 0 349.355 0.050 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H](CO)CC2CCCC2)c1 ZINC000566232729 439029901 /nfs/dbraw/zinc/02/99/01/439029901.db2.gz SUSOJTJBZUYMEO-ZFWWWQNUSA-N 1 0 326.397 0.931 20 5 ECBDRO COc1cc(S(=O)(=O)NCCOCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000471646501 439090218 /nfs/dbraw/zinc/09/02/18/439090218.db2.gz VRZUQSHRBQQYOK-UHFFFAOYSA-N 1 0 347.393 0.460 20 5 ECBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000591902977 439106925 /nfs/dbraw/zinc/10/69/25/439106925.db2.gz GWWRPOJJGAZNQT-GFCCVEGCSA-N 1 0 349.391 0.856 20 5 ECBDRO O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602590805 439116877 /nfs/dbraw/zinc/11/68/77/439116877.db2.gz ZZVNQOWNRNKKGN-RYUDHWBXSA-N 1 0 332.360 0.618 20 5 ECBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2COC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000520226084 439074824 /nfs/dbraw/zinc/07/48/24/439074824.db2.gz YRDPXIKOSNMCCF-TZMCWYRMSA-N 1 0 339.348 0.935 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2ccc3c[nH]nc3c2)c1 ZINC000591765816 439082741 /nfs/dbraw/zinc/08/27/41/439082741.db2.gz JSCBITOQTRMNPQ-CQSZACIVSA-N 1 0 330.348 0.861 20 5 ECBDRO CN1Cc2ccccc2[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000591757255 439082788 /nfs/dbraw/zinc/08/27/88/439082788.db2.gz DYXJARLOVCQUIM-ZBFHGGJFSA-N 1 0 331.376 0.929 20 5 ECBDRO O=C1C[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000581126444 439172312 /nfs/dbraw/zinc/17/23/12/439172312.db2.gz LVBVIGILGVEBTL-SMDDNHRTSA-N 1 0 335.360 0.687 20 5 ECBDRO Nc1nccc(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1[N+](=O)[O-] ZINC000521459030 439120043 /nfs/dbraw/zinc/12/00/43/439120043.db2.gz QBLOCWFNYJQGIU-LLVKDONJSA-N 1 0 337.380 0.539 20 5 ECBDRO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580710377 439120607 /nfs/dbraw/zinc/12/06/07/439120607.db2.gz VOMOXGUKAVPJQD-VHRBIJSZSA-N 1 0 344.389 0.357 20 5 ECBDRO Nc1nccc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000597621313 439142038 /nfs/dbraw/zinc/14/20/38/439142038.db2.gz YBHQYOPFFLRLNG-GFCCVEGCSA-N 1 0 349.391 0.899 20 5 ECBDRO CC(C)([NH3+])CC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592054734 439143178 /nfs/dbraw/zinc/14/31/78/439143178.db2.gz ADKFTLSCHKHRRK-UHFFFAOYSA-N 1 0 344.393 0.117 20 5 ECBDRO COc1nccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000567465027 439146175 /nfs/dbraw/zinc/14/61/75/439146175.db2.gz HYHUYLGSQLHXJN-LBPRGKRZSA-N 1 0 334.332 0.923 20 5 ECBDRO CC[NH2+]CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000567884936 439192645 /nfs/dbraw/zinc/19/26/45/439192645.db2.gz SMJVPZYFACSUDX-NSHDSACASA-N 1 0 338.364 0.908 20 5 ECBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000597854817 439194120 /nfs/dbraw/zinc/19/41/20/439194120.db2.gz MHUGLBGEARRVSH-GFCCVEGCSA-N 1 0 336.392 0.993 20 5 ECBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCO1 ZINC000592307403 439198823 /nfs/dbraw/zinc/19/88/23/439198823.db2.gz HVIRRZJVJLKMDL-IAQYHMDHSA-N 1 0 345.359 0.969 20 5 ECBDRO Cc1nn(CCC(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000592310023 439199278 /nfs/dbraw/zinc/19/92/78/439199278.db2.gz VEBLJWXXASJIOA-JOYOIKCWSA-N 1 0 325.369 0.373 20 5 ECBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CCCO1 ZINC000592342911 439210998 /nfs/dbraw/zinc/21/09/98/439210998.db2.gz HTXGEZQLFDMMBX-GFCCVEGCSA-N 1 0 345.359 0.970 20 5 ECBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000592374246 439213597 /nfs/dbraw/zinc/21/35/97/439213597.db2.gz IDOTXHONLLWFGJ-GXFFZTMASA-N 1 0 343.405 0.894 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC2(CO)CCOCC2)c1 ZINC000581489437 439217985 /nfs/dbraw/zinc/21/79/85/439217985.db2.gz XWLSNPMTYZYNTR-CQSZACIVSA-N 1 0 340.376 0.713 20 5 ECBDRO Cc1nn(C)c(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000598538578 439276114 /nfs/dbraw/zinc/27/61/14/439276114.db2.gz BHAMXFCUUQSKOJ-LBPRGKRZSA-N 1 0 339.396 0.820 20 5 ECBDRO Cc1c(C(=O)NCC[NH2+]C2CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000592467920 439234959 /nfs/dbraw/zinc/23/49/59/439234959.db2.gz ASLVITARTHGAPI-UHFFFAOYSA-N 1 0 342.377 0.032 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1OC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000581887947 439262571 /nfs/dbraw/zinc/26/25/71/439262571.db2.gz KCNNLHHXANWYGB-ZDUSSCGKSA-N 1 0 325.365 0.591 20 5 ECBDRO C[N@@H+]1CCC[C@H]1CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598897497 439322765 /nfs/dbraw/zinc/32/27/65/439322765.db2.gz FPSNHMCVPLIPNU-ZDUSSCGKSA-N 1 0 335.364 0.927 20 5 ECBDRO Cc1ccc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000598608760 439286228 /nfs/dbraw/zinc/28/62/28/439286228.db2.gz VZPXAQCSMSXAMU-AWEZNQCLSA-N 1 0 345.421 0.803 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CNC[C@H](O)C[NH+]1CCCC1 ZINC000582063256 439287025 /nfs/dbraw/zinc/28/70/25/439287025.db2.gz VRXCMNVLPDRDKM-UONOGXRCSA-N 1 0 339.392 0.381 20 5 ECBDRO Cc1ccc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000598608761 439287701 /nfs/dbraw/zinc/28/77/01/439287701.db2.gz VZPXAQCSMSXAMU-CQSZACIVSA-N 1 0 345.421 0.803 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)c1 ZINC000568884697 439288110 /nfs/dbraw/zinc/28/81/10/439288110.db2.gz QWFIAHZCMHPUAY-IXDOHACOSA-N 1 0 346.387 0.908 20 5 ECBDRO CN(CC[N@H+](C)C1CC1)c1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598619422 439290391 /nfs/dbraw/zinc/29/03/91/439290391.db2.gz RSGWDOODBUOVOQ-UHFFFAOYSA-N 1 0 336.396 0.752 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)cccc1[N+](=O)[O-] ZINC000598683410 439303178 /nfs/dbraw/zinc/30/31/78/439303178.db2.gz GDWCFGFEBUSDQG-SUMWQHHRSA-N 1 0 346.387 0.859 20 5 ECBDRO NS(=O)(=O)CCCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000582236650 439305649 /nfs/dbraw/zinc/30/56/49/439305649.db2.gz GRSABGQDNCKKTA-UHFFFAOYSA-N 1 0 344.393 0.582 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1(C[NH3+])CCOCC1 ZINC000599102254 439357400 /nfs/dbraw/zinc/35/74/00/439357400.db2.gz IPLNAPHECOZGLC-UHFFFAOYSA-N 1 0 345.377 0.390 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)n1 ZINC000599230500 439392352 /nfs/dbraw/zinc/39/23/52/439392352.db2.gz PICBNHQNLYIZDS-JTQLQIEISA-N 1 0 329.382 0.187 20 5 ECBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599255017 439402240 /nfs/dbraw/zinc/40/22/40/439402240.db2.gz ZHMMYSRAONUQJT-LLVKDONJSA-N 1 0 345.425 0.681 20 5 ECBDRO CCC(CC)[C@@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[NH+](C)C ZINC000599286854 439416281 /nfs/dbraw/zinc/41/62/81/439416281.db2.gz HUVVBAHGQNWFHJ-LLVKDONJSA-N 1 0 347.441 0.973 20 5 ECBDRO C[NH2+][C@@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1cnn(C)c1 ZINC000583082733 439417004 /nfs/dbraw/zinc/41/70/04/439417004.db2.gz CJHCWWBDJYLALG-CQSZACIVSA-N 1 0 347.379 0.649 20 5 ECBDRO [NH3+][C@H]1C[C@H]2CN(c3ccc4cc([N+](=O)[O-])ccc4n3)CCN2C1=O ZINC000583575998 439483894 /nfs/dbraw/zinc/48/38/94/439483894.db2.gz YWYJFIQRPASGNG-STQMWFEESA-N 1 0 327.344 0.891 20 5 ECBDRO CCO[C@@H]1CN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C[C@H]1C[NH3+] ZINC000593916678 439495159 /nfs/dbraw/zinc/49/51/59/439495159.db2.gz NAIZHKIJSZCVRV-CHWSQXEVSA-N 1 0 339.396 0.620 20 5 ECBDRO CCn1cc(S(=O)(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c([N+](=O)[O-])n1 ZINC000593731272 439456939 /nfs/dbraw/zinc/45/69/39/439456939.db2.gz CBOAUUHAULCYQW-GWCFXTLKSA-N 1 0 343.409 0.561 20 5 ECBDRO CC[N@H+](C)C[C@H](O)CN[C@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000599648765 439526182 /nfs/dbraw/zinc/52/61/82/439526182.db2.gz FFEQKDPVARXBOF-ZBFHGGJFSA-N 1 0 339.392 0.885 20 5 ECBDRO CNS(=O)(=O)C[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000599695895 439537714 /nfs/dbraw/zinc/53/77/14/439537714.db2.gz YRZGXSCUJBSCPE-NSHDSACASA-N 1 0 331.398 0.053 20 5 ECBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594392604 439554556 /nfs/dbraw/zinc/55/45/56/439554556.db2.gz IOSIQBLVOHRTQZ-NWDGAFQWSA-N 1 0 330.344 0.967 20 5 ECBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000609269733 439560526 /nfs/dbraw/zinc/56/05/26/439560526.db2.gz WGLRXJBKENZOBT-GFCCVEGCSA-N 1 0 339.396 0.753 20 5 ECBDRO COCC[N@@H+]1CCC[C@H](NC(=O)Cn2cc([N+](=O)[O-])nc2C)C1 ZINC000609269413 439561585 /nfs/dbraw/zinc/56/15/85/439561585.db2.gz PWNFITDKCXMGMZ-LBPRGKRZSA-N 1 0 325.369 0.327 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000599891529 439570307 /nfs/dbraw/zinc/57/03/07/439570307.db2.gz NGNGHXCKORWZCC-CYBMUJFWSA-N 1 0 348.359 0.943 20 5 ECBDRO COC(=O)CCC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000584286520 439572403 /nfs/dbraw/zinc/57/24/03/439572403.db2.gz SXGKLMAXZFEXFP-UHFFFAOYSA-N 1 0 330.362 0.911 20 5 ECBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000599904085 439573573 /nfs/dbraw/zinc/57/35/73/439573573.db2.gz VMBCMWUNOFYLKX-GXSJLCMTSA-N 1 0 336.348 0.799 20 5 ECBDRO O=C(NC[C@@H]1COCC[NH2+]1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000599932495 439577008 /nfs/dbraw/zinc/57/70/08/439577008.db2.gz WAVJPKRVYVDGRJ-CYBMUJFWSA-N 1 0 349.391 0.415 20 5 ECBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000584361931 439583809 /nfs/dbraw/zinc/58/38/09/439583809.db2.gz IARDJSZAVPETCU-VXGBXAGGSA-N 1 0 347.375 0.086 20 5 ECBDRO CN1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000572480981 439587850 /nfs/dbraw/zinc/58/78/50/439587850.db2.gz IZJIDZPTWXLVAV-ZDUSSCGKSA-N 1 0 333.392 0.884 20 5 ECBDRO [NH3+][C@H]1C[C@@H]2CN(c3ccc([N+](=O)[O-])c4cnccc43)CCN2C1=O ZINC000594694866 439591036 /nfs/dbraw/zinc/59/10/36/439591036.db2.gz WQDMGBTWPDYMSK-MFKMUULPSA-N 1 0 327.344 0.891 20 5 ECBDRO Cn1ncc(C2CCC2)c1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000594733310 439598618 /nfs/dbraw/zinc/59/86/18/439598618.db2.gz VFZNWHNXLAQTJT-ZDUSSCGKSA-N 1 0 334.380 0.943 20 5 ECBDRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594758850 439603296 /nfs/dbraw/zinc/60/32/96/439603296.db2.gz GYUJOINFGJGMDH-UHFFFAOYSA-N 1 0 328.394 0.952 20 5 ECBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000610262213 439606195 /nfs/dbraw/zinc/60/61/95/439606195.db2.gz PPBUORKWKPRFSD-MNOVXSKESA-N 1 0 326.378 0.895 20 5 ECBDRO COC[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000584715414 439610558 /nfs/dbraw/zinc/61/05/58/439610558.db2.gz SFGLICOEMZKYHA-GOEBONIOSA-N 1 0 334.376 1.000 20 5 ECBDRO [NH3+]CCCCC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000584777814 439615062 /nfs/dbraw/zinc/61/50/62/439615062.db2.gz YUNFSIZGSHQDGE-UHFFFAOYSA-N 1 0 344.393 0.118 20 5 ECBDRO COc1ccc(CN[C@H]2CS(=O)(=O)C[C@@H]2OC)cc1[N+](=O)[O-] ZINC000594965427 439644967 /nfs/dbraw/zinc/64/49/67/439644967.db2.gz IBMGHLAUNZJNBX-GWCFXTLKSA-N 1 0 330.362 0.505 20 5 ECBDRO CNc1nccc(C(=O)NC[C@H]2CCC[N@@H+]2CCOC)c1[N+](=O)[O-] ZINC000573813225 439668569 /nfs/dbraw/zinc/66/85/69/439668569.db2.gz BGXBRKHCJTWPKV-LLVKDONJSA-N 1 0 337.380 0.872 20 5 ECBDRO CN(C)[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000573084095 439627369 /nfs/dbraw/zinc/62/73/69/439627369.db2.gz LJCURBLMIRJENI-WBVHZDCISA-N 1 0 347.419 0.915 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H](O)[C@@H]1CCCO1 ZINC000600752509 439698970 /nfs/dbraw/zinc/69/89/70/439698970.db2.gz BYUICPTXNGRBSL-ZLDLUXBVSA-N 1 0 326.349 0.464 20 5 ECBDRO CN1C(=O)c2ccccc2[C@@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000600753405 439699807 /nfs/dbraw/zinc/69/98/07/439699807.db2.gz AWMFOGMWJNXVTP-DOMZBBRYSA-N 1 0 345.359 0.569 20 5 ECBDRO [NH3+]Cc1cc(=O)[nH]c(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000600777697 439700825 /nfs/dbraw/zinc/70/08/25/439700825.db2.gz WCZDDCSETJKLCI-UHFFFAOYSA-N 1 0 347.331 0.610 20 5 ECBDRO CN1CC(=O)N(CC[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000595376692 439716942 /nfs/dbraw/zinc/71/69/42/439716942.db2.gz RXOFHUNDIFXOQS-NSHDSACASA-N 1 0 348.363 0.370 20 5 ECBDRO CCn1cc(S(=O)(=O)N(C)CCCC[NH+](C)C)c([N+](=O)[O-])n1 ZINC000611106561 439673544 /nfs/dbraw/zinc/67/35/44/439673544.db2.gz WWPZNPXOTDVGMA-UHFFFAOYSA-N 1 0 333.414 0.774 20 5 ECBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000600530085 439674603 /nfs/dbraw/zinc/67/46/03/439674603.db2.gz AMWLPZGNYHCLFU-LLVKDONJSA-N 1 0 346.343 0.645 20 5 ECBDRO C[C@H](O)C[NH+]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611268423 439687495 /nfs/dbraw/zinc/68/74/95/439687495.db2.gz LWEVFCYTVAJCTD-LBPRGKRZSA-N 1 0 337.376 0.864 20 5 ECBDRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000249285484 320545579 /nfs/dbraw/zinc/54/55/79/320545579.db2.gz PGLNLUUPCLVPMB-UPJWGTAASA-N 1 0 337.376 0.968 20 5 ECBDRO Nc1c(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000288541305 320653859 /nfs/dbraw/zinc/65/38/59/320653859.db2.gz AIJSVSMFMVZAJD-NSHDSACASA-N 1 0 337.355 0.436 20 5 ECBDRO CCOC(=O)N1CCC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000324593086 320721009 /nfs/dbraw/zinc/72/10/09/320721009.db2.gz DWBJCTPXDRDVLS-CYBMUJFWSA-N 1 0 341.368 0.363 20 5 ECBDRO C[N@@H+]1CC[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H]1c1ccccc1 ZINC000340378295 321037745 /nfs/dbraw/zinc/03/77/45/321037745.db2.gz QBGXONAKQIUAOM-JSGCOSHPSA-N 1 0 330.348 0.748 20 5 ECBDRO O=C1CC[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C2CC2)N1 ZINC000342045412 321073903 /nfs/dbraw/zinc/07/39/03/321073903.db2.gz IPWQXMZTVUOLQH-UKPHBRMFSA-N 1 0 349.387 0.981 20 5 ECBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000347508740 321241865 /nfs/dbraw/zinc/24/18/65/321241865.db2.gz IHKJBQRRJBZNDF-LLVKDONJSA-N 1 0 325.369 0.295 20 5 ECBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352519487 321363290 /nfs/dbraw/zinc/36/32/90/321363290.db2.gz OZPINFLJOUWGOU-CZUORRHYSA-N 1 0 347.419 0.901 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])c([N+](=O)[O-])n1 ZINC000353216167 321385527 /nfs/dbraw/zinc/38/55/27/321385527.db2.gz JUTJEVMSBVXZBH-ZJUUUORDSA-N 1 0 331.398 0.559 20 5 ECBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000366439561 321667739 /nfs/dbraw/zinc/66/77/39/321667739.db2.gz OFVOWXGIWFZZGF-KWCYVHTRSA-N 1 0 337.380 0.501 20 5 ECBDRO CC(C)NC(=O)CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000555563524 322183691 /nfs/dbraw/zinc/18/36/91/322183691.db2.gz IWSSMWDLFXIRFJ-ZDUSSCGKSA-N 1 0 325.365 0.839 20 5 ECBDRO CC(=O)Nc1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000565829059 322480601 /nfs/dbraw/zinc/48/06/01/322480601.db2.gz SDEHZRZNZXDGGQ-CYBMUJFWSA-N 1 0 334.336 0.295 20 5 ECBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000567626847 322590248 /nfs/dbraw/zinc/59/02/48/322590248.db2.gz YWGBANSHTLMTIM-QGZVFWFLSA-N 1 0 349.387 0.937 20 5 ECBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000567849043 322601787 /nfs/dbraw/zinc/60/17/87/322601787.db2.gz JVUDGIPLYOPEGE-SFYZADRCSA-N 1 0 328.756 0.830 20 5 ECBDRO O=C(NC[C@@H]1CCC[NH2+]C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000571657930 322729499 /nfs/dbraw/zinc/72/94/99/322729499.db2.gz RRUYDAPZQQSOIG-CYBMUJFWSA-N 1 0 348.407 0.821 20 5 ECBDRO CN(C)S(=O)(=O)CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000578760478 322874108 /nfs/dbraw/zinc/87/41/08/322874108.db2.gz JCTGPIYVNWUULE-UHFFFAOYSA-N 1 0 344.393 0.404 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccc3c(c2)OCCO3)c1 ZINC000579190751 322888715 /nfs/dbraw/zinc/88/87/15/322888715.db2.gz BXBCHSDKFOKABF-CYBMUJFWSA-N 1 0 334.332 0.713 20 5 ECBDRO Cc1nn(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000181815245 534854975 /nfs/dbraw/zinc/85/49/75/534854975.db2.gz LDXDPDRUIVQTAP-CYBMUJFWSA-N 1 0 339.396 0.573 20 5 ECBDRO COCC[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000737006838 578472941 /nfs/dbraw/zinc/47/29/41/578472941.db2.gz 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O=C(NCCN1CC[NH2+]CC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000125817267 205026849 /nfs/dbraw/zinc/02/68/49/205026849.db2.gz CTTPLRYRUUMQEY-UHFFFAOYSA-N 1 0 345.359 0.071 20 5 ECBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]CC1=CCCOC1 ZINC000127376204 205097614 /nfs/dbraw/zinc/09/76/14/205097614.db2.gz NNQHYDUZFIVXFT-UHFFFAOYSA-N 1 0 341.389 0.809 20 5 ECBDRO C[NH+](C)C[C@@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCO1 ZINC000246058090 205173917 /nfs/dbraw/zinc/17/39/17/205173917.db2.gz YHVXCXPOTTWIIK-CVEARBPZSA-N 1 0 348.403 0.963 20 5 ECBDRO CC[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@@H+]1C[C@H](C)O ZINC000246759557 205229200 /nfs/dbraw/zinc/22/92/00/205229200.db2.gz HQBGIVWQFMQFPW-NWDGAFQWSA-N 1 0 325.369 0.095 20 5 ECBDRO C[NH+](C)CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000111660350 220177310 /nfs/dbraw/zinc/17/73/10/220177310.db2.gz AAWHRUGVENSOEO-SNVBAGLBSA-N 1 0 340.405 0.939 20 5 ECBDRO COC(=O)C1([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000159428895 206246204 /nfs/dbraw/zinc/24/62/04/206246204.db2.gz BRWBPWDSMWNTTO-LBPRGKRZSA-N 1 0 326.353 0.570 20 5 ECBDRO C[C@@H]1C[N@H+](CCO)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000449786580 211297762 /nfs/dbraw/zinc/29/77/62/211297762.db2.gz OUSSRJUNYHWWPR-GFCCVEGCSA-N 1 0 337.376 0.960 20 5 ECBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000449746420 211296315 /nfs/dbraw/zinc/29/63/15/211296315.db2.gz FZCLCDAYACGFGA-ZWNOBZJWSA-N 1 0 334.376 0.970 20 5 ECBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000449713936 211295673 /nfs/dbraw/zinc/29/56/73/211295673.db2.gz ZHLOFMLGUTXSLH-AAEUAGOBSA-N 1 0 334.376 0.958 20 5 ECBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000449587639 211284780 /nfs/dbraw/zinc/28/47/80/211284780.db2.gz JMISYNMLDUZGIN-ZJUUUORDSA-N 1 0 344.393 0.115 20 5 ECBDRO CS(=O)(=O)c1cc(C(=O)NCC[C@H]2CCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC000444258620 211063027 /nfs/dbraw/zinc/06/30/27/211063027.db2.gz JLPACKBCLUAYJN-LLVKDONJSA-N 1 0 341.389 0.870 20 5 ECBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000440639015 210844641 /nfs/dbraw/zinc/84/46/41/210844641.db2.gz NAKDUVNUZNVVNX-ZDUSSCGKSA-N 1 0 341.412 0.999 20 5 ECBDRO C[C@H]1C[NH2+]CCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000261909221 207789054 /nfs/dbraw/zinc/78/90/54/207789054.db2.gz XWFBURPBQRLXQI-JTQLQIEISA-N 1 0 334.332 0.141 20 5 ECBDRO COC(=O)[C@]1(C)CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000412073430 208198431 /nfs/dbraw/zinc/19/84/31/208198431.db2.gz QEUAKQCIIDBPIG-TZMCWYRMSA-N 1 0 326.353 0.427 20 5 ECBDRO C[NH2+]C[C@@H]1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000430940388 210413732 /nfs/dbraw/zinc/41/37/32/210413732.db2.gz OZWGTWXZYFDWEW-JTQLQIEISA-N 1 0 336.348 0.803 20 5 ECBDRO [NH3+][C@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000415354678 208499067 /nfs/dbraw/zinc/49/90/67/208499067.db2.gz NYGQHPMSAIJHNR-ZETCQYMHSA-N 1 0 344.274 0.694 20 5 ECBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000429775297 210333976 /nfs/dbraw/zinc/33/39/76/210333976.db2.gz PKLMHZMDNFQSHZ-YUELXQCFSA-N 1 0 337.376 0.839 20 5 ECBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000415737547 208571410 /nfs/dbraw/zinc/57/14/10/208571410.db2.gz CRTILOAFZIMUGH-NWDGAFQWSA-N 1 0 332.360 0.910 20 5 ECBDRO C[C@@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)[NH2+]1 ZINC000429404017 210316138 /nfs/dbraw/zinc/31/61/38/210316138.db2.gz GSOJIAOZUAJQJS-VXGBXAGGSA-N 1 0 334.376 0.924 20 5 ECBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428619800 210274336 /nfs/dbraw/zinc/27/43/36/210274336.db2.gz OBNLERMAKRBBGB-LLVKDONJSA-N 1 0 335.364 0.207 20 5 ECBDRO O=C(N[C@H]1CC[NH2+]C1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000418374921 208801659 /nfs/dbraw/zinc/80/16/59/208801659.db2.gz HHMJSDMQFFGOAC-ZDUSSCGKSA-N 1 0 347.375 0.424 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418956713 208924376 /nfs/dbraw/zinc/92/43/76/208924376.db2.gz YZKJWQLPZSOKIE-NSHDSACASA-N 1 0 336.348 0.088 20 5 ECBDRO C[C@@H](NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000419158367 209006012 /nfs/dbraw/zinc/00/60/12/209006012.db2.gz XNFKTEICYDMNBU-GYSYKLTISA-N 1 0 332.360 0.592 20 5 ECBDRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000419163838 209007743 /nfs/dbraw/zinc/00/77/43/209007743.db2.gz KQLQMLRHJPPDJB-VIFPVBQESA-N 1 0 340.767 0.672 20 5 ECBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000419268044 209046516 /nfs/dbraw/zinc/04/65/16/209046516.db2.gz JZCUYADCLFTDOL-DGCLKSJQSA-N 1 0 334.376 0.949 20 5 ECBDRO C[C@@H]1CN(C(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000419342930 209064023 /nfs/dbraw/zinc/06/40/23/209064023.db2.gz BTRKXMYWRBVVGS-CYBMUJFWSA-N 1 0 348.403 0.854 20 5 ECBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+](CCO)CCCO ZINC000117340907 221055293 /nfs/dbraw/zinc/05/52/93/221055293.db2.gz LJEJKFYSSHRBGU-UHFFFAOYSA-N 1 0 339.348 0.570 20 5 ECBDRO [NH3+]C[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000358130903 299692293 /nfs/dbraw/zinc/69/22/93/299692293.db2.gz WSLRCEMQOMTPPG-JTQLQIEISA-N 1 0 328.756 0.846 20 5 ECBDRO C[NH+](C)CCN1C[C@@H](C(=O)NCc2cccc([N+](=O)[O-])c2)CC1=O ZINC000073100338 296614293 /nfs/dbraw/zinc/61/42/93/296614293.db2.gz AZHMBOOZACWOCC-ZDUSSCGKSA-N 1 0 334.376 0.621 20 5 ECBDRO COc1ccc(S(=O)(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000119075381 286350735 /nfs/dbraw/zinc/35/07/35/286350735.db2.gz JDLFJQZJHRIYBY-VHSXEESVSA-N 1 0 329.378 0.974 20 5 ECBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000428646025 286933376 /nfs/dbraw/zinc/93/33/76/286933376.db2.gz OOVIZSRESZZXMG-NWDGAFQWSA-N 1 0 338.412 0.943 20 5 ECBDRO CO[C@@H]1CC[C@@H]2OCC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000247146147 165156488 /nfs/dbraw/zinc/15/64/88/165156488.db2.gz XGMWGKHCFPCPCX-TUVASFSCSA-N 1 0 340.380 0.421 20 5 ECBDRO CNC(=O)[C@H](C)C[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248459954 165177841 /nfs/dbraw/zinc/17/78/41/165177841.db2.gz OBNVJJHDLKTWCS-VXGBXAGGSA-N 1 0 325.365 0.648 20 5 ECBDRO C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)[N@@H+]1CCC[C@H](C)C1 ZINC000250283288 165206486 /nfs/dbraw/zinc/20/64/86/165206486.db2.gz ITBJARPKCWUNIX-QWHCGFSZSA-N 1 0 336.392 0.993 20 5 ECBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000261703690 165228597 /nfs/dbraw/zinc/22/85/97/165228597.db2.gz PAONTRDOAHYIBX-LLVKDONJSA-N 1 0 335.364 0.914 20 5 ECBDRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000261718232 165230698 /nfs/dbraw/zinc/23/06/98/165230698.db2.gz LSOVPZRJUIDUHK-UHFFFAOYSA-N 1 0 340.767 0.752 20 5 ECBDRO COCC[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000261814676 165247631 /nfs/dbraw/zinc/24/76/31/165247631.db2.gz AHEVFEUHKNUCMG-UHFFFAOYSA-N 1 0 333.366 0.118 20 5 ECBDRO COCC1(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000261955608 165269223 /nfs/dbraw/zinc/26/92/23/165269223.db2.gz WZOVLZLREYNOQR-UHFFFAOYSA-N 1 0 343.405 0.889 20 5 ECBDRO Cc1c(Br)cc(S(=O)(=O)NCC[NH3+])cc1[N+](=O)[O-] ZINC000262736009 165379052 /nfs/dbraw/zinc/37/90/52/165379052.db2.gz GPXQYAFSMJKAGP-UHFFFAOYSA-N 1 0 338.183 0.903 20 5 ECBDRO C[C@H]1[NH2+]CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)[C@@H]1C ZINC000262811528 165391842 /nfs/dbraw/zinc/39/18/42/165391842.db2.gz REYPJGMASCRIPA-GHMZBOCLSA-N 1 0 348.359 0.529 20 5 ECBDRO C[NH2+]CCN(C)C(=O)c1cc(OC)c(OCCOC)cc1[N+](=O)[O-] ZINC000263259642 165430513 /nfs/dbraw/zinc/43/05/13/165430513.db2.gz SCAKDMRJPYSCKC-UHFFFAOYSA-N 1 0 341.364 0.920 20 5 ECBDRO C[NH+](C)C1CCN(CCNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000177065499 263153170 /nfs/dbraw/zinc/15/31/70/263153170.db2.gz GKIYCKFIYJNSMW-UHFFFAOYSA-N 1 0 335.408 0.933 20 5 ECBDRO COc1cc(S(=O)(=O)N2CCC[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000237227994 263173184 /nfs/dbraw/zinc/17/31/84/263173184.db2.gz CJNJLUQADANJCA-JTQLQIEISA-N 1 0 329.378 0.963 20 5 ECBDRO C[NH2+]C[C@H](C)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000237298941 263173545 /nfs/dbraw/zinc/17/35/45/263173545.db2.gz GCPHESGKMFZABV-JTQLQIEISA-N 1 0 340.405 0.796 20 5 ECBDRO C[C@@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000269646176 263194462 /nfs/dbraw/zinc/19/44/62/263194462.db2.gz SNXCONJBDQHCQX-STQMWFEESA-N 1 0 336.392 0.993 20 5 ECBDRO NS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269683269 263196975 /nfs/dbraw/zinc/19/69/75/263196975.db2.gz YXVYVTITUMXRES-BXUZGUMPSA-N 1 0 343.405 0.629 20 5 ECBDRO Cc1c(CC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000269689602 263197259 /nfs/dbraw/zinc/19/72/59/263197259.db2.gz JXPJGAHQONCKGR-HNNXBMFYSA-N 1 0 348.403 0.902 20 5 ECBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000270418665 263240873 /nfs/dbraw/zinc/24/08/73/263240873.db2.gz 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333.392 0.980 20 5 ECBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000536011869 302132472 /nfs/dbraw/zinc/13/24/72/302132472.db2.gz VHZJYXGPYMVDRF-CQSZACIVSA-N 1 0 347.419 0.908 20 5 ECBDRO C[NH2+][C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 ZINC000151029276 436694713 /nfs/dbraw/zinc/69/47/13/436694713.db2.gz AMJJUOBSUVONRY-NSHDSACASA-N 1 0 341.389 0.822 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000139185800 436664890 /nfs/dbraw/zinc/66/48/90/436664890.db2.gz IWRYNAIPAONENM-FZMZJTMJSA-N 1 0 334.376 0.924 20 5 ECBDRO CN1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 ZINC000142189223 436672584 /nfs/dbraw/zinc/67/25/84/436672584.db2.gz DZSIISHCLVTYFT-LLVKDONJSA-N 1 0 341.389 0.822 20 5 ECBDRO COCC[NH2+]CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000237342802 436731075 /nfs/dbraw/zinc/73/10/75/436731075.db2.gz FQGIEZXLSDEQBQ-UHFFFAOYSA-N 1 0 334.336 0.141 20 5 ECBDRO 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CNc1nc(C(=O)NC[C@H]2CCC[N@@H+]2CCOC)ccc1[N+](=O)[O-] ZINC000455457629 438745851 /nfs/dbraw/zinc/74/58/51/438745851.db2.gz FTISWAAGWYUHIF-LLVKDONJSA-N 1 0 337.380 0.872 20 5 ECBDRO COc1ccc(NC(=O)NCC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000575971558 438762036 /nfs/dbraw/zinc/76/20/36/438762036.db2.gz ZRAKUUKODVBJNV-UHFFFAOYSA-N 1 0 337.336 0.157 20 5 ECBDRO COC(=O)Nc1ccc(S(=O)(=O)NCC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000497190929 438777396 /nfs/dbraw/zinc/77/73/96/438777396.db2.gz PSNJWAADZHNEEO-QMMMGPOBSA-N 1 0 346.365 0.789 20 5 ECBDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000457117878 438793205 /nfs/dbraw/zinc/79/32/05/438793205.db2.gz GZTBABBDRMTGLS-CHWSQXEVSA-N 1 0 333.392 0.836 20 5 ECBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000577165668 438817609 /nfs/dbraw/zinc/81/76/09/438817609.db2.gz YFSRLRKTFIQABO-SMDDNHRTSA-N 1 0 346.387 0.594 20 5 ECBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601346895 438855619 /nfs/dbraw/zinc/85/56/19/438855619.db2.gz BHMTUJVIJYSRIA-BETUJISGSA-N 1 0 325.390 0.903 20 5 ECBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](CO)Cc1ccccc1 ZINC000595598778 438831709 /nfs/dbraw/zinc/83/17/09/438831709.db2.gz WPQZEFMDKXGSQV-HOCLYGCPSA-N 1 0 334.376 0.688 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H](Cn3ccnn3)C2)c1 ZINC000595612536 438834011 /nfs/dbraw/zinc/83/40/11/438834011.db2.gz RBGZUDJLGDDLIZ-ZFWWWQNUSA-N 1 0 347.375 0.948 20 5 ECBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC000588861337 438846030 /nfs/dbraw/zinc/84/60/30/438846030.db2.gz QZHGKAYQFNVHSC-VXGBXAGGSA-N 1 0 335.360 0.885 20 5 ECBDRO CCN(C)C(=O)[C@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000578127828 438900005 /nfs/dbraw/zinc/90/00/05/438900005.db2.gz RCVIQCSQCSUIJF-RYUDHWBXSA-N 1 0 325.365 0.791 20 5 ECBDRO C[NH+](C)[C@H]1CCCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000589114062 438856426 /nfs/dbraw/zinc/85/64/26/438856426.db2.gz NTJHPZAHBHSHKP-NSHDSACASA-N 1 0 328.394 0.773 20 5 ECBDRO O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)cn1 ZINC000595892543 438878605 /nfs/dbraw/zinc/87/86/05/438878605.db2.gz RVIPFIFDFLIKFA-AWEZNQCLSA-N 1 0 333.392 0.633 20 5 ECBDRO O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1(O)C[NH2+]C1 ZINC000595923456 438887297 /nfs/dbraw/zinc/88/72/97/438887297.db2.gz VVJFOTUYMZCIBU-UHFFFAOYSA-N 1 0 348.281 0.476 20 5 ECBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)c1cc(C2CC[NH2+]CC2)no1 ZINC000595926532 438887343 /nfs/dbraw/zinc/88/73/43/438887343.db2.gz NBTPSDGRPNVGDT-UHFFFAOYSA-N 1 0 334.336 0.676 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000589925733 438891136 /nfs/dbraw/zinc/89/11/36/438891136.db2.gz PDBIMKJJFWZXAE-PWSUYJOCSA-N 1 0 341.389 0.928 20 5 ECBDRO CN(CC(C)(C)[NH3+])C(=O)CN1c2cc([N+](=O)[O-])ccc2OCC1=O ZINC000595941268 438891352 /nfs/dbraw/zinc/89/13/52/438891352.db2.gz CPYKXQFCBXOAHW-UHFFFAOYSA-N 1 0 336.348 0.516 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000589928015 438893185 /nfs/dbraw/zinc/89/31/85/438893185.db2.gz CGILVUCAKHETLF-PWSUYJOCSA-N 1 0 341.389 0.928 20 5 ECBDRO C[C@]1(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC[NH2+]C1 ZINC000595991367 438910607 /nfs/dbraw/zinc/91/06/07/438910607.db2.gz HNSSUZVSEOALLP-HNNXBMFYSA-N 1 0 334.332 0.188 20 5 ECBDRO COCC[N@H+](C)CCCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596074039 438923033 /nfs/dbraw/zinc/92/30/33/438923033.db2.gz OMAHHPGOMFSQKR-UHFFFAOYSA-N 1 0 346.409 0.622 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H](CO)Cc2ccccc2)c1 ZINC000578442870 438924419 /nfs/dbraw/zinc/92/44/19/438924419.db2.gz LIWWLGNOEKLHFZ-GDBMZVCRSA-N 1 0 334.376 0.593 20 5 ECBDRO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCOC2(C[NH2+]C2)C1 ZINC000596097068 438924987 /nfs/dbraw/zinc/92/49/87/438924987.db2.gz AFHPENXTLFQNQA-UHFFFAOYSA-N 1 0 335.316 0.180 20 5 ECBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)CC2)C1 ZINC000596128318 438928515 /nfs/dbraw/zinc/92/85/15/438928515.db2.gz HSBKYAFBXLDUNM-CQSZACIVSA-N 1 0 347.419 0.910 20 5 ECBDRO CN(C)S(=O)(=O)c1ccc(N[C@@H](CO)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000596244992 438945831 /nfs/dbraw/zinc/94/58/31/438945831.db2.gz UDKQGKKSARYIEF-SNVBAGLBSA-N 1 0 346.409 0.180 20 5 ECBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCNS(=O)(=O)N(C)C ZINC000459543161 438975675 /nfs/dbraw/zinc/97/56/75/438975675.db2.gz XHSJBKCFMKXWAV-XFXZXTDPSA-N 1 0 342.421 0.984 20 5 ECBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000579129092 438982905 /nfs/dbraw/zinc/98/29/05/438982905.db2.gz DWAXKODINJHQJZ-UONOGXRCSA-N 1 0 347.375 0.091 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000591291919 438997081 /nfs/dbraw/zinc/99/70/81/438997081.db2.gz KRSBDVSGFTVNCE-JTQLQIEISA-N 1 0 336.348 0.800 20 5 ECBDRO Cc1c(NC(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000591299579 438998374 /nfs/dbraw/zinc/99/83/74/438998374.db2.gz LWKMKPTTXAFOSC-GXFFZTMASA-N 1 0 336.348 0.416 20 5 ECBDRO O=C(NCC(=O)N1CC[NH2+]CC1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000591303506 439000488 /nfs/dbraw/zinc/00/04/88/439000488.db2.gz FQPJEKLRBMKBAA-UHFFFAOYSA-N 1 0 325.300 0.287 20 5 ECBDRO [NH3+][C@H]1C[C@@H]2CN(C(=O)CCNc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000566496960 439063730 /nfs/dbraw/zinc/06/37/30/439063730.db2.gz VUNKUJKDXGXWLB-NEPJUHHUSA-N 1 0 347.375 0.167 20 5 ECBDRO CCOC(=O)C[C@H]1C[C@@H](OC)CN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602622324 439118726 /nfs/dbraw/zinc/11/87/26/439118726.db2.gz SRBLQARGWLSTRY-VXGBXAGGSA-N 1 0 326.353 0.871 20 5 ECBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000580619664 439110167 /nfs/dbraw/zinc/11/01/67/439110167.db2.gz PXUMDEIEUBFSEG-MRXNPFEDSA-N 1 0 334.376 0.580 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2cnn(CC(F)(F)F)c2)c1 ZINC000591754415 439080570 /nfs/dbraw/zinc/08/05/70/439080570.db2.gz JQXAFWHXFDFFJJ-NSHDSACASA-N 1 0 348.285 0.701 20 5 ECBDRO CC(C)[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccnn1C ZINC000591763460 439082896 /nfs/dbraw/zinc/08/28/96/439082896.db2.gz HQWQYPDJTCZNDK-UONOGXRCSA-N 1 0 336.396 0.915 20 5 ECBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000567521144 439150382 /nfs/dbraw/zinc/15/03/82/439150382.db2.gz RJWAWHQWKCIYIP-PWSUYJOCSA-N 1 0 348.359 0.438 20 5 ECBDRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000597679726 439158464 /nfs/dbraw/zinc/15/84/64/439158464.db2.gz SGCJTEROCWORDJ-LLVKDONJSA-N 1 0 337.380 0.654 20 5 ECBDRO CNc1ccc(C(=O)N2CC(C[NH+]3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000597693126 439159571 /nfs/dbraw/zinc/15/95/71/439159571.db2.gz BFSTWPIFHXRHAL-UHFFFAOYSA-N 1 0 347.419 0.956 20 5 ECBDRO CCc1n[nH]c(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000597694802 439161638 /nfs/dbraw/zinc/16/16/38/439161638.db2.gz NXOBYQGAMUGCFA-NEPJUHHUSA-N 1 0 337.380 0.816 20 5 ECBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCO1 ZINC000592307405 439198769 /nfs/dbraw/zinc/19/87/69/439198769.db2.gz HVIRRZJVJLKMDL-XHDPSFHLSA-N 1 0 345.359 0.969 20 5 ECBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CCO1 ZINC000592307871 439198902 /nfs/dbraw/zinc/19/89/02/439198902.db2.gz KDSPLSZSZJLFGV-NHYWBVRUSA-N 1 0 345.359 0.969 20 5 ECBDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000597942798 439202728 /nfs/dbraw/zinc/20/27/28/439202728.db2.gz PCWMKDQNYIVNBS-LBPRGKRZSA-N 1 0 326.401 0.180 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1CC[NH2+]CC1 ZINC000592363645 439212252 /nfs/dbraw/zinc/21/22/52/439212252.db2.gz GYAKOJNYOABVMY-UHFFFAOYSA-N 1 0 329.378 0.881 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000592376462 439214430 /nfs/dbraw/zinc/21/44/30/439214430.db2.gz QQORTSDDJVUYEL-CQSZACIVSA-N 1 0 341.389 0.978 20 5 ECBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000598539320 439276758 /nfs/dbraw/zinc/27/67/58/439276758.db2.gz HERCFIZEIUGHDH-CQSZACIVSA-N 1 0 339.396 0.751 20 5 ECBDRO [NH3+][C@@H]1C[C@H]2CN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000568783175 439279001 /nfs/dbraw/zinc/27/90/01/439279001.db2.gz OTCWTWQUCDCNAN-UONOGXRCSA-N 1 0 347.375 0.167 20 5 ECBDRO CN(CC1C[NH+](C)C1)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000598164127 439234747 /nfs/dbraw/zinc/23/47/47/439234747.db2.gz UAUXCMXMHZSHOZ-UHFFFAOYSA-N 1 0 330.348 0.809 20 5 ECBDRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000592549185 439248100 /nfs/dbraw/zinc/24/81/00/439248100.db2.gz MGFDMXPSOFLJCZ-ZDUSSCGKSA-N 1 0 337.332 0.337 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000603423993 439260504 /nfs/dbraw/zinc/26/05/04/439260504.db2.gz UBXPUWPCBZJFAB-ZDUSSCGKSA-N 1 0 338.412 0.537 20 5 ECBDRO CNc1nccc(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000598450292 439264489 /nfs/dbraw/zinc/26/44/89/439264489.db2.gz COBZVOWJQKBRMU-LBPRGKRZSA-N 1 0 349.391 0.703 20 5 ECBDRO CCN(CCC[NH+](C)C)c1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598617519 439289117 /nfs/dbraw/zinc/28/91/17/439289117.db2.gz JRKVQSZHPPIKDH-UHFFFAOYSA-N 1 0 338.412 0.999 20 5 ECBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598630295 439292779 /nfs/dbraw/zinc/29/27/79/439292779.db2.gz GSKRWQIUUZYYCU-LBPRGKRZSA-N 1 0 336.396 0.752 20 5 ECBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000604267960 439305038 /nfs/dbraw/zinc/30/50/38/439305038.db2.gz JIPWSZBQJGEBRZ-DGCLKSJQSA-N 1 0 334.376 0.924 20 5 ECBDRO C[NH2+]CCOCCN(C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000599107848 439360393 /nfs/dbraw/zinc/36/03/93/439360393.db2.gz NYGUDILAXVQXNQ-UHFFFAOYSA-N 1 0 331.394 0.760 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H](CO)[C@@H]1CCCOC1 ZINC000582486397 439341396 /nfs/dbraw/zinc/34/13/96/439341396.db2.gz LLGZLRXCHRFKIE-MGPQQGTHSA-N 1 0 340.376 0.712 20 5 ECBDRO [NH3+]CCCCC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000569600270 439347139 /nfs/dbraw/zinc/34/71/39/439347139.db2.gz QIVHSHKDECMRCP-UHFFFAOYSA-N 1 0 344.393 0.118 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1([NH3+])CCOCC1 ZINC000599100910 439357190 /nfs/dbraw/zinc/35/71/90/439357190.db2.gz FJCBGUARFZPJFY-UHFFFAOYSA-N 1 0 345.377 0.390 20 5 ECBDRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000599103543 439358749 /nfs/dbraw/zinc/35/87/49/439358749.db2.gz XABMEJIIESPOIM-KXUCPTDWSA-N 1 0 331.398 0.322 20 5 ECBDRO COCC[N@@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC000593337933 439369212 /nfs/dbraw/zinc/36/92/12/439369212.db2.gz GTAOLEXVOJHBGE-UHFFFAOYSA-N 1 0 339.396 0.751 20 5 ECBDRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599237070 439394950 /nfs/dbraw/zinc/39/49/50/439394950.db2.gz KNTOCDOWVWOGSZ-JTQLQIEISA-N 1 0 331.398 0.291 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)nc1 ZINC000593525991 439395089 /nfs/dbraw/zinc/39/50/89/439395089.db2.gz AMYXFXKBBUDKEL-UHFFFAOYSA-N 1 0 326.378 0.895 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)n1 ZINC000599249038 439398854 /nfs/dbraw/zinc/39/88/54/439398854.db2.gz RVAHZSUQRGAWKF-LLVKDONJSA-N 1 0 349.438 0.044 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)nc1 ZINC000593542389 439399314 /nfs/dbraw/zinc/39/93/14/439399314.db2.gz SXRYGQJXRRZEKL-LLVKDONJSA-N 1 0 326.378 0.752 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)n1 ZINC000599263814 439407573 /nfs/dbraw/zinc/40/75/73/439407573.db2.gz RTIUCWKJGGJTSC-MNOVXSKESA-N 1 0 343.409 0.433 20 5 ECBDRO O=C([C@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1)N1CC[NH2+]CC1 ZINC000593724983 439455159 /nfs/dbraw/zinc/45/51/59/439455159.db2.gz DEWBKCKTIINNRH-ZDUSSCGKSA-N 1 0 348.403 0.944 20 5 ECBDRO Cc1c(NC(=O)[C@@H](C)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000594026460 439510264 /nfs/dbraw/zinc/51/02/64/439510264.db2.gz CKWJKPYIENJTQI-HZSPNIEDSA-N 1 0 348.403 0.981 20 5 ECBDRO C[NH+](C)CC[C@H](N)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000593905330 439492560 /nfs/dbraw/zinc/49/25/60/439492560.db2.gz CCPNAYMXKHQNAW-HNNXBMFYSA-N 1 0 335.408 0.522 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H](CO)CN1CCCC1 ZINC000583871906 439522024 /nfs/dbraw/zinc/52/20/24/439522024.db2.gz HYNUOGPNGHUWIL-KGLIPLIRSA-N 1 0 339.392 0.381 20 5 ECBDRO NC(=O)c1ccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000571909085 439541005 /nfs/dbraw/zinc/54/10/05/439541005.db2.gz VFVXDAYGXZGETK-GFCCVEGCSA-N 1 0 346.343 0.618 20 5 ECBDRO CN(C)C(=O)c1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000584032107 439541431 /nfs/dbraw/zinc/54/14/31/439541431.db2.gz PKCFKYPVKPFUSK-OAHLLOKOSA-N 1 0 347.375 0.644 20 5 ECBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000572347490 439574493 /nfs/dbraw/zinc/57/44/93/439574493.db2.gz ZCOVGLNDFQWFIT-UHFFFAOYSA-N 1 0 349.391 0.211 20 5 ECBDRO O=C1C[C@H]([NH2+]CCN2CCOCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000572374360 439579297 /nfs/dbraw/zinc/57/92/97/439579297.db2.gz HIYCYFZGRJGLLG-AWEZNQCLSA-N 1 0 348.359 0.149 20 5 ECBDRO COc1ccc(CC(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000599938342 439579654 /nfs/dbraw/zinc/57/96/54/439579654.db2.gz NTPLBMYTKIDXEV-KGLIPLIRSA-N 1 0 349.387 0.813 20 5 ECBDRO CC(C)c1[nH]nc(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599939523 439581716 /nfs/dbraw/zinc/58/17/16/439581716.db2.gz WGZOUHXANGXFSU-WDEREUQCSA-N 1 0 337.380 0.722 20 5 ECBDRO CSC1(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000584361047 439581833 /nfs/dbraw/zinc/58/18/33/439581833.db2.gz ZPIVPJRXQPVUIW-UHFFFAOYSA-N 1 0 339.421 1.129 20 5 ECBDRO CC(C)(C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1)n1cc([N+](=O)[O-])cn1 ZINC000599938931 439581939 /nfs/dbraw/zinc/58/19/39/439581939.db2.gz STKZNWIKTBAVHA-DGCLKSJQSA-N 1 0 337.380 0.194 20 5 ECBDRO 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AHPXBTACZBETFK-VXGBXAGGSA-N 1 0 334.311 0.687 20 5 ECBDRO C[NH2+]C[C@H](C)NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000595276212 439688881 /nfs/dbraw/zinc/68/88/81/439688881.db2.gz VVJASNMXPOEAEO-LBPRGKRZSA-N 1 0 349.391 0.670 20 5 ECBDRO C[NH2+]CCOCCN(C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000600730328 439695220 /nfs/dbraw/zinc/69/52/20/439695220.db2.gz LULFMWWUEPYRQQ-UHFFFAOYSA-N 1 0 336.392 0.652 20 5 ECBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000288309435 320650822 /nfs/dbraw/zinc/65/08/22/320650822.db2.gz CNSMSWQIFOVQLO-UHFFFAOYSA-N 1 0 338.412 0.720 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000330600936 320842879 /nfs/dbraw/zinc/84/28/79/320842879.db2.gz GCTRCUMZOFYYID-NXEZZACHSA-N 1 0 331.398 0.278 20 5 ECBDRO NC(=O)N[C@@H]1CC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000342874147 321107081 /nfs/dbraw/zinc/10/70/81/321107081.db2.gz MLVZWKITCQDIKA-SNVBAGLBSA-N 1 0 349.347 0.635 20 5 ECBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352517261 321363229 /nfs/dbraw/zinc/36/32/29/321363229.db2.gz CMIBJFHJPKRUMH-ZIAGYGMSSA-N 1 0 347.419 0.901 20 5 ECBDRO COC(=O)[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C1CC1 ZINC000353140447 321382520 /nfs/dbraw/zinc/38/25/20/321382520.db2.gz PLLATOICRJKZOT-HZSPNIEDSA-N 1 0 338.364 0.283 20 5 ECBDRO CCn1cc(S(=O)(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])n1 ZINC000353214206 321385675 /nfs/dbraw/zinc/38/56/75/321385675.db2.gz FNTFMDIGXLAJRN-ZJUUUORDSA-N 1 0 331.398 0.478 20 5 ECBDRO CN(C)S(=O)(=O)CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000353870103 321422590 /nfs/dbraw/zinc/42/25/90/321422590.db2.gz VRGHNCFGGJAXLB-NWDGAFQWSA-N 1 0 345.425 0.756 20 5 ECBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)C[C@@H]1[NH+]1CCCC1 ZINC000361620193 321617608 /nfs/dbraw/zinc/61/76/08/321617608.db2.gz DZVKVHUZPITYSR-NWDGAFQWSA-N 1 0 339.421 0.980 20 5 ECBDRO CCn1cc(S(=O)(=O)NC[C@H](C)[NH+]2CCCC2)c([N+](=O)[O-])n1 ZINC000548369262 322156772 /nfs/dbraw/zinc/15/67/72/322156772.db2.gz OGQXPIOHCDPMDK-JTQLQIEISA-N 1 0 331.398 0.574 20 5 ECBDRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C2)CC1 ZINC000556930576 322200041 /nfs/dbraw/zinc/20/00/41/322200041.db2.gz TVBZEFRWVNQCQA-GFCCVEGCSA-N 1 0 336.396 0.558 20 5 ECBDRO CC(=O)Nc1cccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000562988047 322291201 /nfs/dbraw/zinc/29/12/01/322291201.db2.gz LGTGZQLBQKFYRQ-HNNXBMFYSA-N 1 0 333.348 0.900 20 5 ECBDRO COCCN1CC[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000563000348 322292042 /nfs/dbraw/zinc/29/20/42/322292042.db2.gz VJTWDPNXLMSMMJ-KGLIPLIRSA-N 1 0 339.392 0.645 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCc2nnnn2CC1 ZINC000563007290 322292435 /nfs/dbraw/zinc/29/24/35/322292435.db2.gz HXZCGFNBVGZYLK-RYUDHWBXSA-N 1 0 348.363 0.316 20 5 ECBDRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000563946473 322354863 /nfs/dbraw/zinc/35/48/63/322354863.db2.gz QHAVXQICCFIMAP-GFCCVEGCSA-N 1 0 334.376 0.798 20 5 ECBDRO CCOC(=O)c1cc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000564469223 322376660 /nfs/dbraw/zinc/37/66/60/322376660.db2.gz CBEJXXRTKFSBMU-DGCLKSJQSA-N 1 0 348.359 0.520 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2nccn2CC(F)(F)F)c1 ZINC000566063129 322496059 /nfs/dbraw/zinc/49/60/59/322496059.db2.gz DNACPWGDCBSGKC-JTQLQIEISA-N 1 0 348.285 0.701 20 5 ECBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000566066797 322497396 /nfs/dbraw/zinc/49/73/96/322497396.db2.gz MFOVDZKDGGSDOV-NWDGAFQWSA-N 1 0 336.396 0.947 20 5 ECBDRO O=C1C[C@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000566132213 322504357 /nfs/dbraw/zinc/50/43/57/322504357.db2.gz URNUYUUQRAAQIM-OCCSQVGLSA-N 1 0 349.387 0.935 20 5 ECBDRO CC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](O)C(F)(F)F ZINC000566231784 322515892 /nfs/dbraw/zinc/51/58/92/322515892.db2.gz UDNNZFLOXCBFRQ-GUBZILKMSA-N 1 0 326.275 0.444 20 5 ECBDRO Cc1sc(C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)cc1[N+](=O)[O-] ZINC000568982898 322639395 /nfs/dbraw/zinc/63/93/95/322639395.db2.gz USVLEEBICDSXIS-UHFFFAOYSA-N 1 0 337.365 0.745 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCN(CC(F)(F)F)C2)c1 ZINC000571158135 322712007 /nfs/dbraw/zinc/71/20/07/322712007.db2.gz XZCJAIUHAVIEJI-ONGXEEELSA-N 1 0 337.302 0.378 20 5 ECBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000573372730 322760870 /nfs/dbraw/zinc/76/08/70/322760870.db2.gz XEBIYJNBZIXBGF-WDEREUQCSA-N 1 0 337.380 0.636 20 5 ECBDRO C[C@@H]1C[C@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC[NH2+]1 ZINC000577355654 322832345 /nfs/dbraw/zinc/83/23/45/322832345.db2.gz NUOCNSAQYUENPZ-CHWSQXEVSA-N 1 0 348.407 0.962 20 5 ECBDRO C[C@@H](NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000579573010 322900678 /nfs/dbraw/zinc/90/06/78/322900678.db2.gz ZJWCZMGPZADMEJ-VXGBXAGGSA-N 1 0 334.376 0.969 20 5 ECBDRO Cc1nc2n(n1)C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC000580239340 322920152 /nfs/dbraw/zinc/92/01/52/322920152.db2.gz RSLWIAWDEYHSSL-STQMWFEESA-N 1 0 347.375 0.839 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000599111605 546296429 /nfs/dbraw/zinc/29/64/29/546296429.db2.gz KWGMJWOQTZLUSA-GZMMTYOYSA-N 1 0 343.361 0.410 20 5 ECBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CC[NH+](CCCO)CC1 ZINC000758155810 579468038 /nfs/dbraw/zinc/46/80/38/579468038.db2.gz RRSAUEHMRRMPOO-UHFFFAOYSA-N 1 0 348.403 0.991 20 5 ECBDRO C[C@H](O)C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@@H]1C ZINC000736149634 578411660 /nfs/dbraw/zinc/41/16/60/578411660.db2.gz VKYIIPLUWVLKKE-UWVGGRQHSA-N 1 0 348.367 0.061 20 5 ECBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736856037 578457795 /nfs/dbraw/zinc/45/77/95/578457795.db2.gz KJEHERNJIDIZIF-SNVBAGLBSA-N 1 0 332.368 0.948 20 5 ECBDRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCCn1cc([N+](=O)[O-])cn1 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O=C(N1CCN(c2ccc([N+](=O)[O-])cn2)CC1)C12CC[NH+](CC1)C2 ZINC001055861147 770009031 /nfs/dbraw/zinc/00/90/31/770009031.db2.gz PXBCBPDACBCPEB-UHFFFAOYSA-N 1 0 331.376 0.734 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)c2ccccn2)C1 ZINC001019931111 772038015 /nfs/dbraw/zinc/03/80/15/772038015.db2.gz BVMYCIFRZVSANP-XYPYZODXSA-N 1 0 330.348 0.774 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)C2=CCOCC2)C1 ZINC001020096680 772154689 /nfs/dbraw/zinc/15/46/89/772154689.db2.gz CVCHWAPLNSINKR-HAQNSBGRSA-N 1 0 335.364 0.412 20 5 ECBDRO Cn1ccc(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)n1 ZINC001020142792 772211668 /nfs/dbraw/zinc/21/16/68/772211668.db2.gz NSQWPTOWPXJCHR-HAQNSBGRSA-N 1 0 347.379 0.041 20 5 ECBDRO Cc1nn(C)cc1C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001072725953 788653489 /nfs/dbraw/zinc/65/34/89/788653489.db2.gz WMSNNVZJNSYXEL-ZIAGYGMSSA-N 1 0 333.392 0.428 20 5 ECBDRO 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CC[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C[C@@H](C)O ZINC000174635795 207040581 /nfs/dbraw/zinc/04/05/81/207040581.db2.gz FXZFZOJUUNSXKQ-NEPJUHHUSA-N 1 0 325.369 0.095 20 5 ECBDRO COCCCNC(=O)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174832077 207063493 /nfs/dbraw/zinc/06/34/93/207063493.db2.gz SDEPQTQONFNHGJ-UHFFFAOYSA-N 1 0 339.396 0.656 20 5 ECBDRO CO[C@@H](C)[C@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000268865863 252314998 /nfs/dbraw/zinc/31/49/98/252314998.db2.gz WOGOJFLZBGURCN-QWRGUYRKSA-N 1 0 331.394 0.886 20 5 ECBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@](C)(O)C[NH+](C)C)c1F ZINC000412211374 208212563 /nfs/dbraw/zinc/21/25/63/208212563.db2.gz TXWOYIXHJXIRIJ-HNNXBMFYSA-N 1 0 343.355 0.714 20 5 ECBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000430626866 210393170 /nfs/dbraw/zinc/39/31/70/210393170.db2.gz MMFBINFYWLNEGK-GFCCVEGCSA-N 1 0 349.391 0.285 20 5 ECBDRO [NH3+]CCN(CCO)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414948342 208442765 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C[NH+](C)CCN1C[C@H](C(=O)N2CCc3c2cccc3[N+](=O)[O-])CC1=O ZINC000073848732 436093361 /nfs/dbraw/zinc/09/33/61/436093361.db2.gz NCPVJUVFHIFLAB-GFCCVEGCSA-N 1 0 346.387 0.894 20 5 ECBDRO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000373060888 301044385 /nfs/dbraw/zinc/04/43/85/301044385.db2.gz XWZIZHOWBUKNCP-BXUZGUMPSA-N 1 0 332.360 0.535 20 5 ECBDRO O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000375935804 301222359 /nfs/dbraw/zinc/22/23/59/301222359.db2.gz XIRSGABSQMXKCC-WCQYABFASA-N 1 0 342.359 1.000 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](CC[NH3+])C(F)F ZINC000394819680 301453390 /nfs/dbraw/zinc/45/33/90/301453390.db2.gz SUGDDGZEIIRNNG-QMMMGPOBSA-N 1 0 339.320 0.864 20 5 ECBDRO CN(C)C(=O)C1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000078245846 436263693 /nfs/dbraw/zinc/26/36/93/436263693.db2.gz GIUPPWRWDBVNMB-UHFFFAOYSA-N 1 0 334.376 0.994 20 5 ECBDRO C[C@@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)[NH+](C)C 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COc1cc(C[NH2+]CCCN2CCNC(=O)C2)c([N+](=O)[O-])cc1O ZINC000565607623 438964565 /nfs/dbraw/zinc/96/45/65/438964565.db2.gz LFRAUAVWIQAYAZ-UHFFFAOYSA-N 1 0 338.364 0.221 20 5 ECBDRO [NH3+]CC1(O)CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000517933393 438982469 /nfs/dbraw/zinc/98/24/69/438982469.db2.gz CVEDJGTZLMWMBB-UHFFFAOYSA-N 1 0 345.359 0.706 20 5 ECBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000596817901 439004675 /nfs/dbraw/zinc/00/46/75/439004675.db2.gz UZSICVVEYXPLNY-LBPRGKRZSA-N 1 0 335.364 0.475 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000591346265 439005043 /nfs/dbraw/zinc/00/50/43/439005043.db2.gz BIUFDRSDEUFUPK-YGRLFVJLSA-N 1 0 338.364 0.861 20 5 ECBDRO COc1cc(CCNC(=O)NC[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000591338323 439005087 /nfs/dbraw/zinc/00/50/87/439005087.db2.gz AABKVTJPNXJNRT-SECBINFHSA-N 1 0 326.353 0.801 20 5 ECBDRO O=C(NCC[NH2+]C1CC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000591359258 439007052 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0.754 20 5 ECBDRO [NH3+]CC1(O)CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000580833116 439135060 /nfs/dbraw/zinc/13/50/60/439135060.db2.gz WBEHUOHZOVUYKM-UHFFFAOYSA-N 1 0 345.359 0.706 20 5 ECBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@@H+]2C)n1 ZINC000597694203 439161677 /nfs/dbraw/zinc/16/16/77/439161677.db2.gz JUFFXHZZUGLBNF-YPMHNXCESA-N 1 0 337.380 0.746 20 5 ECBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000567672926 439164778 /nfs/dbraw/zinc/16/47/78/439164778.db2.gz UMJVTSQXVPQEFR-NSHDSACASA-N 1 0 349.313 0.499 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCN1CCO[C@@H](C)C1 ZINC000523747791 439177855 /nfs/dbraw/zinc/17/78/55/439177855.db2.gz JIMGQHLVCBOTKM-NSHDSACASA-N 1 0 325.369 0.327 20 5 ECBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCO1 ZINC000592307364 439198650 /nfs/dbraw/zinc/19/86/50/439198650.db2.gz GNPJKBNUTAGXNG-HZMBPMFUSA-N 1 0 346.347 0.364 20 5 ECBDRO COC(=O)c1cc(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000592309517 439199716 /nfs/dbraw/zinc/19/97/16/439199716.db2.gz RYPNJMXGBUDYQW-NOZJJQNGSA-N 1 0 337.332 0.570 20 5 ECBDRO C[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CO1 ZINC000592363283 439212993 /nfs/dbraw/zinc/21/29/93/439212993.db2.gz VSIJCAGNRHJEGB-GHMZBOCLSA-N 1 0 329.378 0.640 20 5 ECBDRO C[C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CO1 ZINC000592365754 439213093 /nfs/dbraw/zinc/21/30/93/439213093.db2.gz YWHFQWHIFGSQNU-WDEREUQCSA-N 1 0 329.378 0.640 20 5 ECBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000592374020 439214864 /nfs/dbraw/zinc/21/48/64/439214864.db2.gz GVANABFBKAKELM-WCQYABFASA-N 1 0 343.405 0.948 20 5 ECBDRO CC[C@@H]1CN(S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592381762 439216027 /nfs/dbraw/zinc/21/60/27/439216027.db2.gz DIHRCFLXTZFWPY-ZJUUUORDSA-N 1 0 331.398 0.559 20 5 ECBDRO COc1cc(Cn2cc(CN3CC[NH+](C)CC3)nn2)ccc1[N+](=O)[O-] ZINC000603243815 439217616 /nfs/dbraw/zinc/21/76/16/439217616.db2.gz OTHLJMUHVMGDFO-UHFFFAOYSA-N 1 0 346.391 0.991 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1Cn1cc(CN2CC[NH+](C)CC2)nn1 ZINC000603243809 439218456 /nfs/dbraw/zinc/21/84/56/439218456.db2.gz OOCKXDHDGAOLLB-UHFFFAOYSA-N 1 0 346.391 0.991 20 5 ECBDRO O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1CC[NH+](CC2CC2)CC1 ZINC000598588502 439281379 /nfs/dbraw/zinc/28/13/79/439281379.db2.gz BBKKJAUZEUGVHF-UHFFFAOYSA-N 1 0 348.407 0.753 20 5 ECBDRO O=[N+]([O-])c1c(N[C@@H]2CC[N@@H+](C3CC3)C2)ncnc1N1CCOCC1 ZINC000598587867 439283412 /nfs/dbraw/zinc/28/34/12/439283412.db2.gz FUEGZLGSKVSFOT-LLVKDONJSA-N 1 0 334.380 0.870 20 5 ECBDRO COCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCO[C@H]1C ZINC000489447165 439229341 /nfs/dbraw/zinc/22/93/41/439229341.db2.gz KBSGIBGMUKZFTG-UBHSHLNASA-N 1 0 328.369 0.278 20 5 ECBDRO Cc1cc(C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)cc([N+](=O)[O-])c1 ZINC000598188524 439238041 /nfs/dbraw/zinc/23/80/41/439238041.db2.gz UWYVONIMZPPJDV-UHFFFAOYSA-N 1 0 336.392 0.995 20 5 ECBDRO CNc1ccc(C(=O)N2CCC[NH2+]C[C@H]2C(=O)OC)cc1[N+](=O)[O-] ZINC000592550538 439249820 /nfs/dbraw/zinc/24/98/20/439249820.db2.gz SYXLJADBDSNYJB-ZDUSSCGKSA-N 1 0 336.348 0.614 20 5 ECBDRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000592551663 439250475 /nfs/dbraw/zinc/25/04/75/439250475.db2.gz GRKSKRJOXTZFMQ-CQSZACIVSA-N 1 0 335.360 0.809 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592555455 439253037 /nfs/dbraw/zinc/25/30/37/439253037.db2.gz ZHIJTHIHNDMASE-KGLIPLIRSA-N 1 0 348.403 0.995 20 5 ECBDRO Cc1ccccc1C[C@@H](CO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000581943702 439270007 /nfs/dbraw/zinc/27/00/07/439270007.db2.gz SPPYJDCRZQSDTI-HOCLYGCPSA-N 1 0 334.376 0.654 20 5 ECBDRO CN(CC[NH+]1CCCC1)c1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598596222 439285337 /nfs/dbraw/zinc/28/53/37/439285337.db2.gz XRXYEFHCBAWJIT-UHFFFAOYSA-N 1 0 336.396 0.753 20 5 ECBDRO CC[NH2+]CCCNC(=O)[C@H](CC)Nc1c([N+](=O)[O-])c(C)nn1C ZINC000582061610 439286233 /nfs/dbraw/zinc/28/62/33/439286233.db2.gz FEAYEDZRQVOFGC-NSHDSACASA-N 1 0 326.401 0.943 20 5 ECBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598666492 439299448 /nfs/dbraw/zinc/29/94/48/439299448.db2.gz ZGWUALJXSZONIH-QWRGUYRKSA-N 1 0 335.364 0.912 20 5 ECBDRO C[NH2+]C1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000598665453 439300405 /nfs/dbraw/zinc/30/04/05/439300405.db2.gz WJYXZNJIZKAFNF-UHFFFAOYSA-N 1 0 335.364 0.927 20 5 ECBDRO CCn1cc(S(=O)(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)c([N+](=O)[O-])n1 ZINC000598727575 439307425 /nfs/dbraw/zinc/30/74/25/439307425.db2.gz XUXOCPOSCQIIHI-BXKDBHETSA-N 1 0 329.382 0.313 20 5 ECBDRO Cc1ccc(S(=O)(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000598716942 439307496 /nfs/dbraw/zinc/30/74/96/439307496.db2.gz XJVJNZKNJKWMNX-NEPJUHHUSA-N 1 0 343.405 0.948 20 5 ECBDRO Cc1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCO2)c(C)c1[N+](=O)[O-] ZINC000598715759 439308414 /nfs/dbraw/zinc/30/84/14/439308414.db2.gz SZSUIUALDMANIU-LLVKDONJSA-N 1 0 329.378 0.478 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593234127 439354670 /nfs/dbraw/zinc/35/46/70/439354670.db2.gz FHGDMUPHOZELGO-UHFFFAOYSA-N 1 0 334.376 0.749 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000599104895 439358144 /nfs/dbraw/zinc/35/81/44/439358144.db2.gz VRPWKNAJUFYRTL-MNOVXSKESA-N 1 0 343.409 0.481 20 5 ECBDRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000599103534 439358510 /nfs/dbraw/zinc/35/85/10/439358510.db2.gz XABMEJIIESPOIM-BBBLOLIVSA-N 1 0 331.398 0.322 20 5 ECBDRO CN1C[C@@H]([NH2+][C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CCC1=O ZINC000582733728 439374703 /nfs/dbraw/zinc/37/47/03/439374703.db2.gz LSYUIHOEKFZTGA-GWCFXTLKSA-N 1 0 346.343 0.437 20 5 ECBDRO O=C1N[C@]2(CCC[NH2+]C2)C(=O)N1CCOc1ccccc1[N+](=O)[O-] ZINC000582962113 439401880 /nfs/dbraw/zinc/40/18/80/439401880.db2.gz IHFZQVLVHZDRIG-HNNXBMFYSA-N 1 0 334.332 0.648 20 5 ECBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC(N3CC[C@@H](O)C3)C2)c1 ZINC000593650167 439435320 /nfs/dbraw/zinc/43/53/20/439435320.db2.gz UXGOIAJCNLAXLY-GFCCVEGCSA-N 1 0 327.362 0.034 20 5 ECBDRO C[NH2+]C[C@@H](C)CNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000571062083 439473729 /nfs/dbraw/zinc/47/37/29/439473729.db2.gz LYJHDEBNDFJGKR-GFCCVEGCSA-N 1 0 336.396 0.677 20 5 ECBDRO CCCc1n[nH]c(C(=O)N2C[C@@H](C[NH3+])[C@H](OCC)C2)c1[N+](=O)[O-] ZINC000593916183 439495040 /nfs/dbraw/zinc/49/50/40/439495040.db2.gz FRCLJMKCQZINDR-MWLCHTKSSA-N 1 0 325.369 0.706 20 5 ECBDRO NC(=O)c1ccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000571909086 439540579 /nfs/dbraw/zinc/54/05/79/439540579.db2.gz VFVXDAYGXZGETK-LBPRGKRZSA-N 1 0 346.343 0.618 20 5 ECBDRO O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000571916336 439543253 /nfs/dbraw/zinc/54/32/53/439543253.db2.gz WPLXPBTWPCRLNF-XJKSGUPXSA-N 1 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ECBDRO CN1CC[N@H+](C)CC(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000907138927 587017478 /nfs/dbraw/zinc/01/74/78/587017478.db2.gz FPYGJCDJROKJHG-UHFFFAOYSA-N 1 0 332.404 0.973 20 5 ECBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000808222025 587149833 /nfs/dbraw/zinc/14/98/33/587149833.db2.gz JKJJKJOGYXMRMO-SECBINFHSA-N 1 0 326.328 0.503 20 5 ECBDRO CNC(=O)[C@H]1CC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000817370351 587339971 /nfs/dbraw/zinc/33/99/71/587339971.db2.gz JRTQOEUMCDJFRY-LBPRGKRZSA-N 1 0 330.348 0.879 20 5 ECBDRO CC(C)NS(=O)(=O)NCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819264525 587474801 /nfs/dbraw/zinc/47/48/01/587474801.db2.gz WMXQYUUPEADMCZ-ZDUSSCGKSA-N 1 0 346.409 0.050 20 5 ECBDRO COC(=O)c1cn(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)nn1 ZINC000819296940 587475772 /nfs/dbraw/zinc/47/57/72/587475772.db2.gz GPDVYWBWNLWHCG-ZDUSSCGKSA-N 1 0 335.320 0.296 20 5 ECBDRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000840452504 587581501 /nfs/dbraw/zinc/58/15/01/587581501.db2.gz ICBGXZUCEMFARK-HIFRSBDPSA-N 1 0 337.376 0.591 20 5 ECBDRO CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000821332096 587585899 /nfs/dbraw/zinc/58/58/99/587585899.db2.gz KOVPTFJEADPLEC-OKILXGFUSA-N 1 0 332.360 0.604 20 5 ECBDRO C[N@H+](C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1CC1 ZINC000821595089 587604050 /nfs/dbraw/zinc/60/40/50/587604050.db2.gz MIOFLOQXYNICLZ-LLVKDONJSA-N 1 0 334.336 0.609 20 5 ECBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823994404 587847515 /nfs/dbraw/zinc/84/75/15/587847515.db2.gz RXSHLZCJMHZSNP-NSHDSACASA-N 1 0 336.396 0.934 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1-c1noc(-c2c[nH]nc2[C@@H]2CC[NH2+]C2)n1 ZINC000854152984 589573199 /nfs/dbraw/zinc/57/31/99/589573199.db2.gz AVTLKSLHEKSYLB-SSDOTTSWSA-N 1 0 330.308 0.845 20 5 ECBDRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000856097576 589654310 /nfs/dbraw/zinc/65/43/10/589654310.db2.gz CNIDVXGZCCXDPZ-JKSUJKDBSA-N 1 0 349.387 0.998 20 5 ECBDRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000869762860 589977142 /nfs/dbraw/zinc/97/71/42/589977142.db2.gz SPODDNARCVCPOR-UHFFFAOYSA-N 1 0 339.396 0.759 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(C3OCCO3)CC2)c1 ZINC000075684745 611371644 /nfs/dbraw/zinc/37/16/44/611371644.db2.gz HQVWYTJAQNINPH-CYBMUJFWSA-N 1 0 326.353 0.237 20 5 ECBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923713977 611374950 /nfs/dbraw/zinc/37/49/50/611374950.db2.gz XYMDQNLWIPFQFE-VHSXEESVSA-N 1 0 329.353 0.964 20 5 ECBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000932714444 611658414 /nfs/dbraw/zinc/65/84/14/611658414.db2.gz IEAJRWIEOSHJMM-GFCCVEGCSA-N 1 0 338.412 0.099 20 5 ECBDRO COC(=O)CC[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCOCC1 ZINC000176286600 608792905 /nfs/dbraw/zinc/79/29/05/608792905.db2.gz DUXGQINLNYQYOX-UHFFFAOYSA-N 1 0 326.353 0.835 20 5 ECBDRO Cn1cc(CCC[NH2+][C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000920760399 609692281 /nfs/dbraw/zinc/69/22/81/609692281.db2.gz JFAYMDBLTLDOLU-CVEARBPZSA-N 1 0 334.376 0.945 20 5 ECBDRO Cn1cc(CCC[NH2+][C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000920760400 609692344 /nfs/dbraw/zinc/69/23/44/609692344.db2.gz JFAYMDBLTLDOLU-HOTGVXAUSA-N 1 0 334.376 0.945 20 5 ECBDRO C[C@@]1(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H](O)C[NH2+]1 ZINC000911972902 609924954 /nfs/dbraw/zinc/92/49/54/609924954.db2.gz BGPSJWSHYGRBDC-ZBFHGGJFSA-N 1 0 334.376 0.356 20 5 ECBDRO CC[C@@H](CO)[NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000916571844 609942468 /nfs/dbraw/zinc/94/24/68/609942468.db2.gz NMZJWWHWAKBQFT-ZDUSSCGKSA-N 1 0 336.392 0.604 20 5 ECBDRO CCC(CC)C[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC000941406900 610721931 /nfs/dbraw/zinc/72/19/31/610721931.db2.gz IIFTZOJKJISYAO-HZPDHXFCSA-N 1 0 338.452 0.916 20 5 ECBDRO C[NH+](C)C1(CNC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000923013911 611192522 /nfs/dbraw/zinc/19/25/22/611192522.db2.gz SJZFMVKROSHGBF-UHFFFAOYSA-N 1 0 348.407 0.916 20 5 ECBDRO NC(=O)C(=O)N1CC2(C1)CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000981972180 751386306 /nfs/dbraw/zinc/38/63/06/751386306.db2.gz PUXFZLIPZQOPME-UHFFFAOYSA-N 1 0 332.360 0.505 20 5 ECBDRO CN(C)c1ccccc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775416 739943540 /nfs/dbraw/zinc/94/35/40/739943540.db2.gz YMVNYBJAVLHKCQ-WDTWZTHCSA-N 1 0 344.415 0.964 20 5 ECBDRO Cn1cc(CN2C[C@]3(C)CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@]3(C)C2)nn1 ZINC000982278689 751851546 /nfs/dbraw/zinc/85/15/46/751851546.db2.gz OTTOMQDOZDGPOR-XOUADPBQSA-N 1 0 348.407 0.151 20 5 ECBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]Cc2nnc(C3CC3)[nH]2)CC1 ZINC000997770907 743800533 /nfs/dbraw/zinc/80/05/33/743800533.db2.gz AWHPPMFEVMZZJM-CHWSQXEVSA-N 1 0 348.407 0.676 20 5 ECBDRO COC(=O)c1ncc([N+](=O)[O-])cc1N[C@H](CCC[NH3+])C(=O)OC ZINC001167901458 751930110 /nfs/dbraw/zinc/93/01/10/751930110.db2.gz MGLPWWFQRZSYMC-SECBINFHSA-N 1 0 326.309 0.469 20 5 ECBDRO CCc1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)s1 ZINC000983653078 745000115 /nfs/dbraw/zinc/00/01/15/745000115.db2.gz GJTFXXJYSVOPGJ-GWOFURMSSA-N 1 0 339.421 0.750 20 5 ECBDRO Cc1nc[nH]c1C(=O)N[C@H]1C[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001021145707 752589495 /nfs/dbraw/zinc/58/94/95/752589495.db2.gz ZEELOLVHJOJPMD-MGCOHNPYSA-N 1 0 333.352 0.410 20 5 ECBDRO CN(Cc1ccccc1)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936245 756744264 /nfs/dbraw/zinc/74/42/64/756744264.db2.gz CLZZJMBIWBFRHN-ZIAGYGMSSA-N 1 0 334.376 0.016 20 5 ECBDRO Cc1cccc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1C ZINC001126943419 756909687 /nfs/dbraw/zinc/90/96/87/756909687.db2.gz OKSKXTHZCGMMIB-TZMCWYRMSA-N 1 0 334.376 0.613 20 5 ECBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3cncc(F)c3)C[C@@H]2C1 ZINC001048814408 757083362 /nfs/dbraw/zinc/08/33/62/757083362.db2.gz KAAAVDMGSSIJBF-AYRXBEOTSA-N 1 0 334.351 0.776 20 5 ECBDRO Cc1nnsc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000996428771 757654430 /nfs/dbraw/zinc/65/44/30/757654430.db2.gz HGKWCEFIOFLEIC-GHMZBOCLSA-N 1 0 325.394 0.592 20 5 ECBDRO COc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)sn1 ZINC001022063771 758226314 /nfs/dbraw/zinc/22/63/14/758226314.db2.gz MDCHROIEOAQJLM-JZSSXWJLSA-N 1 0 326.378 0.554 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)c2ccns2)C1 ZINC001022153396 758341281 /nfs/dbraw/zinc/34/12/81/758341281.db2.gz HDUOPVLUMQSGPN-DTORHVGOSA-N 1 0 336.377 0.835 20 5 ECBDRO C[NH+](C)CCCC(=O)NC/C=C/CNc1ncc([N+](=O)[O-])c(N)n1 ZINC001107475380 758688267 /nfs/dbraw/zinc/68/82/67/758688267.db2.gz IEALNERWHVAVLV-ONEGZZNKSA-N 1 0 337.384 0.393 20 5 ECBDRO Cc1nc(C)c(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)[nH]1 ZINC001022729462 759058856 /nfs/dbraw/zinc/05/88/56/759058856.db2.gz FXWJUTGFCXNFQA-PHIMTYICSA-N 1 0 347.379 0.719 20 5 ECBDRO Cn1ncc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001022850174 759183295 /nfs/dbraw/zinc/18/32/95/759183295.db2.gz DFQHWSQKGJZHHP-TXEJJXNPSA-N 1 0 330.348 0.774 20 5 ECBDRO CN(CCOCCNc1ccc([N+](=O)[O-])cn1)C(=O)CC[NH+](C)C ZINC001127462387 771266730 /nfs/dbraw/zinc/26/67/30/771266730.db2.gz DYHKBKIIINHTQM-UHFFFAOYSA-N 1 0 339.396 0.828 20 5 ECBDRO CCn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)cn1 ZINC001020034744 772095885 /nfs/dbraw/zinc/09/58/85/772095885.db2.gz RZADUOVWFDCNQL-HAQNSBGRSA-N 1 0 347.379 0.595 20 5 ECBDRO Cn1oc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)cc1=O ZINC001020107963 772167169 /nfs/dbraw/zinc/16/71/69/772167169.db2.gz NFDQFGOVSPJOKW-HAQNSBGRSA-N 1 0 346.343 0.937 20 5 ECBDRO O=C(N[C@H]1C[C@H]([NH2+]CCn2cc(Cl)cn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020139536 772206010 /nfs/dbraw/zinc/20/60/10/772206010.db2.gz DMIORBANPJHPFV-DDHJBXDOSA-N 1 0 327.772 0.439 20 5 ECBDRO Cn1c(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nc2ccccc21 ZINC001020139358 772206153 /nfs/dbraw/zinc/20/61/53/772206153.db2.gz YZVQLSCOEYQPRT-RTWAVKEYSA-N 1 0 343.387 0.975 20 5 ECBDRO CCN(C(=O)C1([NH+](C)C)CCC1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001079942405 777119103 /nfs/dbraw/zinc/11/91/03/777119103.db2.gz GNEBOXLCUPHUKK-CHWSQXEVSA-N 1 0 338.408 0.195 20 5 ECBDRO CCC(=O)N1CC[NH+](CCCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001079160879 780835841 /nfs/dbraw/zinc/83/58/41/780835841.db2.gz NXBCVBDOJCGRIB-ZIAGYGMSSA-N 1 0 340.424 0.492 20 5 ECBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(=O)NCC[N@@H+](CCC2CC2)CC1 ZINC001070963182 784242220 /nfs/dbraw/zinc/24/22/20/784242220.db2.gz FRRVEPCWQITJRW-ZIAGYGMSSA-N 1 0 338.408 0.102 20 5 ECBDRO NC(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001266905023 836463076 /nfs/dbraw/zinc/46/30/76/836463076.db2.gz WQISFKFZDHJTKT-NHAGDIPZSA-N 1 0 347.375 0.200 20 5 ECBDRO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cccc(C(=O)NC)c1 ZINC001267241201 837048923 /nfs/dbraw/zinc/04/89/23/837048923.db2.gz NUQRKAVQPMUJFO-HUUCEWRRSA-N 1 0 348.403 0.650 20 5 ECBDRO CC(C)(CC[NH3+])NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000424048283 209872270 /nfs/dbraw/zinc/87/22/70/209872270.db2.gz QLRADUIMZOPTPB-UHFFFAOYSA-N 1 0 337.380 0.638 20 5 ECBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@@H]3CC[N@H+](CC)C[C@@H]32)n1 ZINC000355376391 299245696 /nfs/dbraw/zinc/24/56/96/299245696.db2.gz XQFBIJIUTIZSNP-WCQYABFASA-N 1 0 337.380 0.746 20 5 ECBDRO [NH3+]C[C@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000420396742 209360511 /nfs/dbraw/zinc/36/05/11/209360511.db2.gz WIGJPYVAQBKPPR-AWEZNQCLSA-N 1 0 334.376 0.534 20 5 ECBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420348461 209354111 /nfs/dbraw/zinc/35/41/11/209354111.db2.gz LXJIEDMJMVHUPO-BBRMVZONSA-N 1 0 347.419 0.901 20 5 ECBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000420020362 209279371 /nfs/dbraw/zinc/27/93/71/209279371.db2.gz SEDCCQXMWGPRHZ-HNNXBMFYSA-N 1 0 339.348 0.756 20 5 ECBDRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000419987162 209269986 /nfs/dbraw/zinc/26/99/86/209269986.db2.gz DCQKYAYFYXGZPB-GFCCVEGCSA-N 1 0 349.391 0.097 20 5 ECBDRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000419932116 209253161 /nfs/dbraw/zinc/25/31/61/209253161.db2.gz DLKISKUJBBMMSK-GFCCVEGCSA-N 1 0 336.392 0.567 20 5 ECBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419884837 209238234 /nfs/dbraw/zinc/23/82/34/209238234.db2.gz ACZPMSIWVCVLHT-ZDUSSCGKSA-N 1 0 334.376 0.464 20 5 ECBDRO COc1c(F)cc(S(=O)(=O)N2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000193223318 240065307 /nfs/dbraw/zinc/06/53/07/240065307.db2.gz IREAWGAJTUMYTE-UHFFFAOYSA-N 1 0 333.341 0.854 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000419754142 209197551 /nfs/dbraw/zinc/19/75/51/209197551.db2.gz BMBPILVYTBOGBQ-WCQYABFASA-N 1 0 334.376 0.715 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000262563096 245034079 /nfs/dbraw/zinc/03/40/79/245034079.db2.gz AQAPAZLYZAUJRR-NWDGAFQWSA-N 1 0 334.376 0.829 20 5 ECBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000262719032 245141900 /nfs/dbraw/zinc/14/19/00/245141900.db2.gz FECQNTVWYYHBGT-ZANVPECISA-N 1 0 341.389 0.726 20 5 ECBDRO CC[C@H](CO)[NH+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000131648059 205297913 /nfs/dbraw/zinc/29/79/13/205297913.db2.gz WHTGLJNNEHPDPM-GFCCVEGCSA-N 1 0 325.369 0.097 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158440068 206191063 /nfs/dbraw/zinc/19/10/63/206191063.db2.gz QJVBXUINJGQBPQ-YVEFUNNKSA-N 1 0 346.387 0.925 20 5 ECBDRO C[NH+](C)CCN(C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000356882300 299465689 /nfs/dbraw/zinc/46/56/89/299465689.db2.gz YDPYVCKAUQTAMN-UHFFFAOYSA-N 1 0 334.376 0.877 20 5 ECBDRO CC[C@@H](COC)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000161971411 206378743 /nfs/dbraw/zinc/37/87/43/206378743.db2.gz BNUIVDBZTQLPOL-NSHDSACASA-N 1 0 331.394 0.888 20 5 ECBDRO COC(=O)[C@H]1CC12CC[NH+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000266563087 248361390 /nfs/dbraw/zinc/36/13/90/248361390.db2.gz YKUNVXIOAJKHDE-QWHCGFSZSA-N 1 0 338.364 0.427 20 5 ECBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000449750845 211296352 /nfs/dbraw/zinc/29/63/52/211296352.db2.gz JUWJTYCLKXFJKF-LBPRGKRZSA-N 1 0 341.389 0.869 20 5 ECBDRO CCn1cc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])n1 ZINC000447246588 211177564 /nfs/dbraw/zinc/17/75/64/211177564.db2.gz POBSZOKMZPNTDI-GARJFASQSA-N 1 0 343.409 0.559 20 5 ECBDRO C[NH2+]CCCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000435879956 210658936 /nfs/dbraw/zinc/65/89/36/210658936.db2.gz MUBVELDYOWUECM-UHFFFAOYSA-N 1 0 342.421 0.511 20 5 ECBDRO COCCCNC(=O)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176215726 207202844 /nfs/dbraw/zinc/20/28/44/207202844.db2.gz NNMQJVXFZLZZPU-UHFFFAOYSA-N 1 0 339.396 0.656 20 5 ECBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)CN1CCOCC1 ZINC000412091919 208202873 /nfs/dbraw/zinc/20/28/73/208202873.db2.gz MRPBYBJBJFSIBI-CQSZACIVSA-N 1 0 341.412 0.195 20 5 ECBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCCOCC[NH+](C)C)c1F ZINC000412255112 208215643 /nfs/dbraw/zinc/21/56/43/208215643.db2.gz ZEYZOQZBWOGCTR-UHFFFAOYSA-N 1 0 343.355 0.979 20 5 ECBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)NC[C@H]2C[NH2+]CCCO2)cc1 ZINC000420458890 209371257 /nfs/dbraw/zinc/37/12/57/209371257.db2.gz QBPVODXYOOYMPO-CQSZACIVSA-N 1 0 343.405 0.435 20 5 ECBDRO [NH3+]C[C@H](NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000429574403 210324170 /nfs/dbraw/zinc/32/41/70/210324170.db2.gz GXDOQIBUISZKKS-ZDUSSCGKSA-N 1 0 335.364 0.248 20 5 ECBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415751254 208574771 /nfs/dbraw/zinc/57/47/71/208574771.db2.gz VVMWQSWIEURTLP-NXEZZACHSA-N 1 0 336.323 0.740 20 5 ECBDRO C[NH2+]C1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000429381505 210314443 /nfs/dbraw/zinc/31/44/43/210314443.db2.gz NHZCMVQAPUNVHF-UHFFFAOYSA-N 1 0 349.391 0.604 20 5 ECBDRO O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000429086890 210295855 /nfs/dbraw/zinc/29/58/55/210295855.db2.gz HUPJKFHZRGXMLU-WDEREUQCSA-N 1 0 336.348 0.661 20 5 ECBDRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000418859880 208881708 /nfs/dbraw/zinc/88/17/08/208881708.db2.gz BZIVICCMYKJZOA-GFCCVEGCSA-N 1 0 348.403 0.839 20 5 ECBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000418922665 208910728 /nfs/dbraw/zinc/91/07/28/208910728.db2.gz LJANSONUGBBLDN-SMDDNHRTSA-N 1 0 334.376 0.510 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000420434474 254775846 /nfs/dbraw/zinc/77/58/46/254775846.db2.gz FIANABQFKRQFIL-VIFPVBQESA-N 1 0 345.377 0.787 20 5 ECBDRO C[NH+](C)CCCNC(=O)Cn1cc([N+](=O)[O-])c(=O)c2ccccc21 ZINC000487890399 254842705 /nfs/dbraw/zinc/84/27/05/254842705.db2.gz QTVADYZXMFCYCO-UHFFFAOYSA-N 1 0 332.360 0.978 20 5 ECBDRO COc1c[nH+]ccc1N1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000358268953 299706751 /nfs/dbraw/zinc/70/67/51/299706751.db2.gz BBQRSYVUXXOTLJ-UHFFFAOYSA-N 1 0 332.320 0.684 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000261817950 286350185 /nfs/dbraw/zinc/35/01/85/286350185.db2.gz AMWSRNFFNSVLRW-ONGXEEELSA-N 1 0 329.378 0.961 20 5 ECBDRO CO[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000261641427 165220810 /nfs/dbraw/zinc/22/08/10/165220810.db2.gz ADJIQQXYZCJVFV-VXGBXAGGSA-N 1 0 329.378 0.722 20 5 ECBDRO Cn1c(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000261684494 165227488 /nfs/dbraw/zinc/22/74/88/165227488.db2.gz AUGGEGMQKSKZQX-JTQLQIEISA-N 1 0 349.313 0.499 20 5 ECBDRO [NH3+]CCNC(=O)[C@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000261719897 165231688 /nfs/dbraw/zinc/23/16/88/165231688.db2.gz QNIGVNLSQYRNIQ-LBPRGKRZSA-N 1 0 349.391 0.320 20 5 ECBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000261797144 165245485 /nfs/dbraw/zinc/24/54/85/165245485.db2.gz IOIZZBXCRMCGDG-FVGKDHOHSA-N 1 0 334.376 0.779 20 5 ECBDRO Cc1n[nH]c(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000299440549 296863667 /nfs/dbraw/zinc/86/36/67/296863667.db2.gz JYNIDYLXCWHKAI-NXEZZACHSA-N 1 0 325.369 0.855 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000262338239 165332556 /nfs/dbraw/zinc/33/25/56/165332556.db2.gz TZOQRTSKYAUXBW-GXSJLCMTSA-N 1 0 329.378 0.961 20 5 ECBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000301717749 296890063 /nfs/dbraw/zinc/89/00/63/296890063.db2.gz LASMDTZBFFNJFO-LLVKDONJSA-N 1 0 335.364 0.754 20 5 ECBDRO COc1cc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000269748212 263201385 /nfs/dbraw/zinc/20/13/85/263201385.db2.gz BLZZADRHORKHTD-ZDUSSCGKSA-N 1 0 347.393 0.194 20 5 ECBDRO C[NH+](C)CCn1cc(NC(=O)Cn2ccc([N+](=O)[O-])n2)ccc1=O ZINC000270305593 263234255 /nfs/dbraw/zinc/23/42/55/263234255.db2.gz ZDUJTCHJULIAEB-UHFFFAOYSA-N 1 0 334.336 0.153 20 5 ECBDRO CS[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])nc2C)C[C@H]1[NH+](C)C ZINC000270451209 263242997 /nfs/dbraw/zinc/24/29/97/263242997.db2.gz JJEPWEHZMIYXPI-NEPJUHHUSA-N 1 0 341.437 0.994 20 5 ECBDRO O=C1NC(=O)C2(CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)N1 ZINC000270476838 263244890 /nfs/dbraw/zinc/24/48/90/263244890.db2.gz DAVMZVMALVASTN-UHFFFAOYSA-N 1 0 334.332 0.648 20 5 ECBDRO CN1C(=O)NC2(CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000270950137 263288056 /nfs/dbraw/zinc/28/80/56/263288056.db2.gz SRTBQGDNLCRABF-UHFFFAOYSA-N 1 0 348.359 0.990 20 5 ECBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000272273835 263342261 /nfs/dbraw/zinc/34/22/61/263342261.db2.gz NYBWZUJLBPRFTO-GHMZBOCLSA-N 1 0 330.348 0.985 20 5 ECBDRO CCCC[N@@H+](CC(N)=O)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272975267 263383849 /nfs/dbraw/zinc/38/38/49/263383849.db2.gz CENWBOPAEMMDFK-LBPRGKRZSA-N 1 0 325.365 0.922 20 5 ECBDRO C[C@@H]1C[C@@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000278313004 263828234 /nfs/dbraw/zinc/82/82/34/263828234.db2.gz UEAPIVYGSHDMEY-YPMHNXCESA-N 1 0 334.376 0.971 20 5 ECBDRO C[C@@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000420602625 274360497 /nfs/dbraw/zinc/36/04/97/274360497.db2.gz BODKOWKMTDVESO-LLVKDONJSA-N 1 0 336.392 0.975 20 5 ECBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000418786780 279655977 /nfs/dbraw/zinc/65/59/77/279655977.db2.gz JJLBUAPHWPCETN-QWHCGFSZSA-N 1 0 348.407 0.949 20 5 ECBDRO O=C(NCC1=CC[NH2+]CC1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000418544345 279835744 /nfs/dbraw/zinc/83/57/44/279835744.db2.gz UOHNNIYEIFPUKF-UHFFFAOYSA-N 1 0 346.391 0.741 20 5 ECBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](CCO)[C@H]1CCCSC1 ZINC000433189794 280394697 /nfs/dbraw/zinc/39/46/97/280394697.db2.gz DQNPIMVBCWDUFQ-ZDUSSCGKSA-N 1 0 327.406 0.946 20 5 ECBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000354398340 437606542 /nfs/dbraw/zinc/60/65/42/437606542.db2.gz GIBZSODEWFVDGX-NSHDSACASA-N 1 0 336.396 0.328 20 5 ECBDRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000331877028 296977276 /nfs/dbraw/zinc/97/72/76/296977276.db2.gz HHXYVSDEHSHJOF-UHFFFAOYSA-N 1 0 336.348 0.568 20 5 ECBDRO COC[C@@]1(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC[NH2+]C1 ZINC000423414710 292958938 /nfs/dbraw/zinc/95/89/38/292958938.db2.gz NRMJJBDEKOKERK-MLGOLLRUSA-N 1 0 349.391 0.629 20 5 ECBDRO O=C(N[C@H]1CCC[NH2+]C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000332523420 297048406 /nfs/dbraw/zinc/04/84/06/297048406.db2.gz CXTHEJKFEZPFJS-LBPRGKRZSA-N 1 0 334.380 0.573 20 5 ECBDRO CCn1cc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCC2)c([N+](=O)[O-])n1 ZINC000339042544 297316235 /nfs/dbraw/zinc/31/62/35/297316235.db2.gz SZAIABLRXBDTCW-NSHDSACASA-N 1 0 345.425 0.821 20 5 ECBDRO Cc1nn(C)c(NC2CC[NH+](CCC(=O)N(C)C)CC2)c1[N+](=O)[O-] ZINC000344438364 298020287 /nfs/dbraw/zinc/02/02/87/298020287.db2.gz HIBJBUYRSDJXKH-UHFFFAOYSA-N 1 0 338.412 0.991 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000346177904 298233214 /nfs/dbraw/zinc/23/32/14/298233214.db2.gz AKOKSKAZLIZSTK-YPMHNXCESA-N 1 0 348.363 0.902 20 5 ECBDRO C[NH+](C)CCOCCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000352645673 298957189 /nfs/dbraw/zinc/95/71/89/298957189.db2.gz QTQHACRQHHLEJD-UHFFFAOYSA-N 1 0 325.321 0.632 20 5 ECBDRO C[N@@H+]1CCN(CCNC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000361773995 300123945 /nfs/dbraw/zinc/12/39/45/300123945.db2.gz JWHQLKFEEGGNMQ-OWCLPIDISA-N 1 0 332.404 0.757 20 5 ECBDRO CSC1(CNC(=O)Cn2cnc([N+](=O)[O-])n2)CC[NH+](C)CC1 ZINC000362189492 300168906 /nfs/dbraw/zinc/16/89/06/300168906.db2.gz LDGMGLNXWKDFAM-UHFFFAOYSA-N 1 0 328.398 0.130 20 5 ECBDRO C[NH+]1C[C@H]2CN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000362666985 300208649 /nfs/dbraw/zinc/20/86/49/300208649.db2.gz QWKCAPYSGFXOLA-QWRGUYRKSA-N 1 0 325.390 0.996 20 5 ECBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000186967099 300243553 /nfs/dbraw/zinc/24/35/53/300243553.db2.gz YNWLLLFDGAPJPQ-LBPRGKRZSA-N 1 0 339.396 0.485 20 5 ECBDRO C[C@H]1CN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1[NH3+] ZINC000447252290 300286597 /nfs/dbraw/zinc/28/65/97/300286597.db2.gz QXLMZRUQKXPGAJ-IUCAKERBSA-N 1 0 343.361 0.334 20 5 ECBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000364628102 300373870 /nfs/dbraw/zinc/37/38/70/300373870.db2.gz ITTPLUHKQDNUPY-UHFFFAOYSA-N 1 0 337.380 0.505 20 5 ECBDRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000364656575 300376155 /nfs/dbraw/zinc/37/61/55/300376155.db2.gz ALBNEFXJNIYUQZ-ZGKBOVNRSA-N 1 0 335.408 0.927 20 5 ECBDRO 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/nfs/dbraw/zinc/18/46/83/438184683.db2.gz RQZVCHBBJWAZBA-ZDUSSCGKSA-N 1 0 329.378 0.081 20 5 ECBDRO Cc1c(C(=O)N[C@H](C)CC[NH3+])cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000349933961 438188513 /nfs/dbraw/zinc/18/85/13/438188513.db2.gz GOYPNWWOENJGIE-SSDOTTSWSA-N 1 0 330.366 0.018 20 5 ECBDRO Cc1c(NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000358095733 438151833 /nfs/dbraw/zinc/15/18/33/438151833.db2.gz QOKQZAKRDFEKJV-HNNXBMFYSA-N 1 0 336.348 0.025 20 5 ECBDRO COc1ccc(NC(=O)CCN2CCO[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000358123773 438159865 /nfs/dbraw/zinc/15/98/65/438159865.db2.gz NOTLJRFBIHYBCJ-GFCCVEGCSA-N 1 0 338.364 0.592 20 5 ECBDRO O=[N+]([O-])c1cnc(N2CCC(O)(C[NH+]3CCOCC3)CC2)s1 ZINC000374487195 438211931 /nfs/dbraw/zinc/21/19/31/438211931.db2.gz GOGRQIBTKMNRNL-UHFFFAOYSA-N 1 0 328.394 0.715 20 5 ECBDRO COCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCSC1 ZINC000433195872 438229441 /nfs/dbraw/zinc/22/94/41/438229441.db2.gz ZFWVHGHVEHGYTI-GXTWGEPZSA-N 1 0 344.437 0.996 20 5 ECBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000358498252 438238221 /nfs/dbraw/zinc/23/82/21/438238221.db2.gz OJZUUYAVMVZWGQ-MNOVXSKESA-N 1 0 340.384 0.013 20 5 ECBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000374311689 438201326 /nfs/dbraw/zinc/20/13/26/438201326.db2.gz POSCYBFONBFITI-NEPJUHHUSA-N 1 0 335.412 0.429 20 5 ECBDRO COc1ccc(CNC(=O)C(=O)N2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000418952196 438261756 /nfs/dbraw/zinc/26/17/56/438261756.db2.gz VIYDOXZFSGCAQI-UHFFFAOYSA-N 1 0 336.348 0.042 20 5 ECBDRO CCn1cc(S(=O)(=O)N(C)CC[N@H+](C)C2CC2)c([N+](=O)[O-])n1 ZINC000351567585 438290589 /nfs/dbraw/zinc/29/05/89/438290589.db2.gz KBBRSGHPUUKYHO-UHFFFAOYSA-N 1 0 331.398 0.526 20 5 ECBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000351731366 438329170 /nfs/dbraw/zinc/32/91/70/438329170.db2.gz RGOAVKNPENFPTD-SWHYSGLUSA-N 1 0 349.391 0.896 20 5 ECBDRO O=C(C[N@H+](CCO)CC1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000352491963 438430092 /nfs/dbraw/zinc/43/00/92/438430092.db2.gz UDFDWWDNRGEMDI-UHFFFAOYSA-N 1 0 337.332 0.966 20 5 ECBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2C[NH2+]CCCO2)cc1C ZINC000390277766 438431492 /nfs/dbraw/zinc/43/14/92/438431492.db2.gz ZKJYESGTAXMBKP-LBPRGKRZSA-N 1 0 343.405 0.868 20 5 ECBDRO CS(=O)(=O)c1cc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000359423758 438431557 /nfs/dbraw/zinc/43/15/57/438431557.db2.gz MDDHGEUBYHSUGT-PHIMTYICSA-N 1 0 339.373 0.290 20 5 ECBDRO CC(C)C(=O)NC1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000438834078 438487099 /nfs/dbraw/zinc/48/70/99/438487099.db2.gz RAAJIBIECIPCRU-AWEZNQCLSA-N 1 0 339.396 0.389 20 5 ECBDRO CN1CCN(C(=O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000369691339 438506567 /nfs/dbraw/zinc/50/65/67/438506567.db2.gz HKSHAKPTRFJWSM-UHFFFAOYSA-N 1 0 336.396 0.202 20 5 ECBDRO [NH3+][C@H]1CCC[C@@H]1NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422979030 438623799 /nfs/dbraw/zinc/62/37/99/438623799.db2.gz IQVRATVKBOGKJD-QWRGUYRKSA-N 1 0 328.394 0.343 20 5 ECBDRO COC[C@]1(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000422999724 438626283 /nfs/dbraw/zinc/62/62/83/438626283.db2.gz FTPNWFCONNRQDS-HNNXBMFYSA-N 1 0 337.332 0.946 20 5 ECBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000493545530 438633004 /nfs/dbraw/zinc/63/30/04/438633004.db2.gz CSVVNMRORIHBNW-VTUYONSCSA-N 1 0 330.344 0.378 20 5 ECBDRO CCn1cc(S(=O)(=O)NC(C)(C)C[NH+]2CCCC2)c([N+](=O)[O-])n1 ZINC000452087704 438638651 /nfs/dbraw/zinc/63/86/51/438638651.db2.gz QZZSTFFZZNXKCX-UHFFFAOYSA-N 1 0 345.425 0.964 20 5 ECBDRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000494721461 438706296 /nfs/dbraw/zinc/70/62/96/438706296.db2.gz MCOITIVGVHGMJJ-CYBMUJFWSA-N 1 0 343.405 0.987 20 5 ECBDRO Cc1nc(NCC2(N3CCOCC3)CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000413479826 438694712 /nfs/dbraw/zinc/69/47/12/438694712.db2.gz KQMKLYVTXQAZOR-UHFFFAOYSA-N 1 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COC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCOCC1 ZINC000595613666 438833231 /nfs/dbraw/zinc/83/32/31/438833231.db2.gz DGCGTURRVPXZMX-KGLIPLIRSA-N 1 0 328.369 0.183 20 5 ECBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000601253528 438834274 /nfs/dbraw/zinc/83/42/74/438834274.db2.gz UQVQRVQMXVUKTF-NEPJUHHUSA-N 1 0 332.360 0.943 20 5 ECBDRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000595631891 438836207 /nfs/dbraw/zinc/83/62/07/438836207.db2.gz LHRNGXMYWWBSCB-BPLDGKMQSA-N 1 0 339.392 0.912 20 5 ECBDRO COc1ccc(OCC[NH+]2CCC(O)(CO)CC2)c([N+](=O)[O-])c1 ZINC000595734078 438851656 /nfs/dbraw/zinc/85/16/56/438851656.db2.gz UVLDBNYPYQFSJO-UHFFFAOYSA-N 1 0 326.349 0.801 20 5 ECBDRO [NH3+]CC12CC(C1)CN2C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000595965267 438902025 /nfs/dbraw/zinc/90/20/25/438902025.db2.gz AURCBRCGNSPKOI-UHFFFAOYSA-N 1 0 347.375 0.344 20 5 ECBDRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000595770022 438859375 /nfs/dbraw/zinc/85/93/75/438859375.db2.gz MEYYQGLZMJXZOU-NUEKZKHPSA-N 1 0 348.407 0.887 20 5 ECBDRO O=C1CCCN1C[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595833130 438868237 /nfs/dbraw/zinc/86/82/37/438868237.db2.gz RZQGDUWHLVFGTI-TZMCWYRMSA-N 1 0 337.380 0.097 20 5 ECBDRO CSC[C@H](O)C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000578232417 438907722 /nfs/dbraw/zinc/90/77/22/438907722.db2.gz SAMKJMCVGAVBRE-LLVKDONJSA-N 1 0 349.434 0.187 20 5 ECBDRO C[NH+](C)CCCS(=O)(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000601389465 438870155 /nfs/dbraw/zinc/87/01/55/438870155.db2.gz IQIXCRHGWCCYSL-UHFFFAOYSA-N 1 0 328.394 0.629 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](CO)c2ccc(F)cc2F)c1 ZINC000595866443 438872816 /nfs/dbraw/zinc/87/28/16/438872816.db2.gz GYQRDPRTFFKULT-FZMZJTMJSA-N 1 0 342.302 0.754 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000589928944 438893677 /nfs/dbraw/zinc/89/36/77/438893677.db2.gz IAALWVZKOPTMLS-GWCFXTLKSA-N 1 0 341.389 0.928 20 5 ECBDRO Cn1c(C(=O)NC[C@@H]2CCCN(Cc3ncon3)C2)ccc1[N+](=O)[O-] ZINC000590362446 438915115 /nfs/dbraw/zinc/91/51/15/438915115.db2.gz IUEOBORCMYVFPF-NSHDSACASA-N 1 0 348.363 0.958 20 5 ECBDRO NS(=O)(=O)c1cc(N[C@H]2CC[N@@H+](C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000596091204 438924069 /nfs/dbraw/zinc/92/40/69/438924069.db2.gz YEPTUSNAXHMECO-VIFPVBQESA-N 1 0 326.378 0.891 20 5 ECBDRO COC(=O)c1cc(C(=O)N2CCOC3(C[NH2+]C3)C2)cc([N+](=O)[O-])c1 ZINC000596097237 438925668 /nfs/dbraw/zinc/92/56/68/438925668.db2.gz GNNWWOWPYPNYBN-UHFFFAOYSA-N 1 0 335.316 0.196 20 5 ECBDRO CN(CCC[NH3+])C(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000565250565 438937586 /nfs/dbraw/zinc/93/75/86/438937586.db2.gz RADUMYNSPIYRCN-UHFFFAOYSA-N 1 0 342.783 0.714 20 5 ECBDRO Nc1nc(NCC2CC[NH+](C3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000596315553 438956102 /nfs/dbraw/zinc/95/61/02/438956102.db2.gz XQIFSTOQFRZKBS-UHFFFAOYSA-N 1 0 336.396 0.692 20 5 ECBDRO C[NH+](C)CCOc1cc(CNC(=O)c2c[nH]nc2[N+](=O)[O-])ccn1 ZINC000565728529 438976318 /nfs/dbraw/zinc/97/63/18/438976318.db2.gz VJNUAHYYEHKMAG-UHFFFAOYSA-N 1 0 334.336 0.583 20 5 ECBDRO CN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C[NH3+])C1 ZINC000579474680 439010586 /nfs/dbraw/zinc/01/05/86/439010586.db2.gz IRSYZVNHSRBWQJ-LBPRGKRZSA-N 1 0 326.784 0.892 20 5 ECBDRO COC(=O)COc1ccc(C[NH2+][C@H]2COC[C@H]2OC)cc1[N+](=O)[O-] ZINC000459753094 438995008 /nfs/dbraw/zinc/99/50/08/438995008.db2.gz JYLUHTKMLIFVDT-SMDDNHRTSA-N 1 0 340.332 0.650 20 5 ECBDRO Cc1c(NC(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000591299581 438998918 /nfs/dbraw/zinc/99/89/18/438998918.db2.gz LWKMKPTTXAFOSC-ZWNOBZJWSA-N 1 0 336.348 0.416 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2nccn2CC(F)(F)F)c1 ZINC000566063130 439001335 /nfs/dbraw/zinc/00/13/35/439001335.db2.gz DNACPWGDCBSGKC-SNVBAGLBSA-N 1 0 348.285 0.701 20 5 ECBDRO C[C@H](CS(C)(=O)=O)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566118231 439006433 /nfs/dbraw/zinc/00/64/33/439006433.db2.gz YKKRVXYKYIYKJB-MNOVXSKESA-N 1 0 332.378 0.357 20 5 ECBDRO C[C@H]1CC[N@H+](CCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000519576504 439043150 /nfs/dbraw/zinc/04/31/50/439043150.db2.gz UZAPZWBGAYIRSA-LBPRGKRZSA-N 1 0 334.376 0.783 20 5 ECBDRO C[N@@H+]1CCC[C@H](N2CCN(c3c(C(N)=O)cccc3[N+](=O)[O-])CC2)C1 ZINC000591459469 439016709 /nfs/dbraw/zinc/01/67/09/439016709.db2.gz RJWRZKDNVYITSC-ZDUSSCGKSA-N 1 0 347.419 0.910 20 5 ECBDRO COc1c(N)ncnc1N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000518999870 439018476 /nfs/dbraw/zinc/01/84/76/439018476.db2.gz MWZHHLUSICRGIT-UHFFFAOYSA-N 1 0 331.336 0.697 20 5 ECBDRO C[C@@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000602485779 439098630 /nfs/dbraw/zinc/09/86/30/439098630.db2.gz ZKVKOHCKOBIWBB-UKRRQHHQSA-N 1 0 336.440 0.786 20 5 ECBDRO CN1CCN(C)[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602544205 439108273 /nfs/dbraw/zinc/10/82/73/439108273.db2.gz FTXOCOSRSIAPBN-MRXNPFEDSA-N 1 0 348.451 0.794 20 5 ECBDRO CN1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)[C@H](C[NH3+])C1 ZINC000567047107 439108622 /nfs/dbraw/zinc/10/86/22/439108622.db2.gz KHFYLMUHVVFMIQ-LLVKDONJSA-N 1 0 345.359 0.564 20 5 ECBDRO O=C1NCCC[C@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591735068 439077713 /nfs/dbraw/zinc/07/77/13/439077713.db2.gz NWHNJIGNMUYHHM-NSHDSACASA-N 1 0 341.389 0.484 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCN2Cc3ccccc3C2)c1 ZINC000591728452 439078477 /nfs/dbraw/zinc/07/84/77/439078477.db2.gz FYBACWBXYDUEOL-INIZCTEOSA-N 1 0 331.376 0.758 20 5 ECBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]CC1(O)CCC1 ZINC000591742888 439079893 /nfs/dbraw/zinc/07/98/93/439079893.db2.gz QOBNRVDHOCWICR-UHFFFAOYSA-N 1 0 329.378 0.378 20 5 ECBDRO COc1cc(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1O ZINC000591756760 439080331 /nfs/dbraw/zinc/08/03/31/439080331.db2.gz ZGBHOTJPTSMEBD-CYBMUJFWSA-N 1 0 336.348 0.699 20 5 ECBDRO O=C1CCC[C@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)N1 ZINC000591764217 439082397 /nfs/dbraw/zinc/08/23/97/439082397.db2.gz XNVHWKRYUBWNGZ-LLVKDONJSA-N 1 0 341.389 0.627 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H](CO)C2CCCCC2)c1 ZINC000580893272 439144784 /nfs/dbraw/zinc/14/47/84/439144784.db2.gz QTQZCCMIJWOYGQ-HIFRSBDPSA-N 1 0 326.397 0.931 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000592389717 439219623 /nfs/dbraw/zinc/21/96/23/439219623.db2.gz YBYNGQHMAABVQA-LLVKDONJSA-N 1 0 329.378 0.961 20 5 ECBDRO O=[N+]([O-])c1cccc(OCCn2cc(CCN3CC[NH2+]CC3)nn2)c1 ZINC000603199572 439206916 /nfs/dbraw/zinc/20/69/16/439206916.db2.gz CFGFDVASQFMYRU-UHFFFAOYSA-N 1 0 346.391 0.713 20 5 ECBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000592338067 439209075 /nfs/dbraw/zinc/20/90/75/439209075.db2.gz MVCINZUQMLDFLJ-GARJFASQSA-N 1 0 342.375 0.643 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c([N+](=O)[O-])n1 ZINC000592381485 439215457 /nfs/dbraw/zinc/21/54/57/439215457.db2.gz PRVDRYACUPJATG-VHSXEESVSA-N 1 0 329.382 0.184 20 5 ECBDRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000592384726 439216245 /nfs/dbraw/zinc/21/62/45/439216245.db2.gz VPFHLYSVXXWRAG-SNVBAGLBSA-N 1 0 329.378 0.976 20 5 ECBDRO C[NH+](C)[C@H]1CCCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000598593062 439283083 /nfs/dbraw/zinc/28/30/83/439283083.db2.gz OUPTWLDPRGMDEK-LBPRGKRZSA-N 1 0 336.396 0.752 20 5 ECBDRO COc1ccc(NC(=O)CN2CCO[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000592474821 439236886 /nfs/dbraw/zinc/23/68/86/439236886.db2.gz DFHJKQCERWUDME-IINYFYTJSA-N 1 0 338.364 0.590 20 5 ECBDRO [NH3+][C@@H](CNC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000581657513 439239141 /nfs/dbraw/zinc/23/91/41/439239141.db2.gz UYWFKFPIKIXRCZ-ZDUSSCGKSA-N 1 0 332.360 0.333 20 5 ECBDRO Nc1nccc(C(=O)NCC2([NH+]3CCCC3)CCOCC2)c1[N+](=O)[O-] ZINC000581734716 439248500 /nfs/dbraw/zinc/24/85/00/439248500.db2.gz URSCNKUQYNLMGF-UHFFFAOYSA-N 1 0 349.391 0.947 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000568512360 439253608 /nfs/dbraw/zinc/25/36/08/439253608.db2.gz NWSBIQPOHQAMOI-VHSXEESVSA-N 1 0 338.364 0.462 20 5 ECBDRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CCO1 ZINC000598779559 439316265 /nfs/dbraw/zinc/31/62/65/439316265.db2.gz KJNIOHLIBFSFCW-LBPRGKRZSA-N 1 0 338.364 0.878 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]Cc2cn[nH]c2)cc1 ZINC000604549815 439319041 /nfs/dbraw/zinc/31/90/41/439319041.db2.gz XPFYCRKHCJXLCT-UHFFFAOYSA-N 1 0 325.350 0.386 20 5 ECBDRO C[NH+]1CCC(CNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 ZINC000598597413 439285309 /nfs/dbraw/zinc/28/53/09/439285309.db2.gz XHLUXFAXWCAPJN-UHFFFAOYSA-N 1 0 336.396 0.975 20 5 ECBDRO C[NH+](C)[C@H]1C[C@@H](CNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000598630952 439293635 /nfs/dbraw/zinc/29/36/35/439293635.db2.gz OAZQQGASUDNBQX-TXEJJXNPSA-N 1 0 336.396 0.974 20 5 ECBDRO C[NH+]1CCC2(CC1)CN(C(=O)CCn1cc([N+](=O)[O-])cn1)CCO2 ZINC000592898279 439300683 /nfs/dbraw/zinc/30/06/83/439300683.db2.gz DKONPWHCHPZDLQ-UHFFFAOYSA-N 1 0 337.380 0.505 20 5 ECBDRO Cc1ccc(S(=O)(=O)N2CCN(C)C[C@H]2C[NH3+])c(C)c1[N+](=O)[O-] ZINC000598716251 439308486 /nfs/dbraw/zinc/30/84/86/439308486.db2.gz DXXZVJXXDSQDRR-GFCCVEGCSA-N 1 0 342.421 0.475 20 5 ECBDRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000599103548 439358200 /nfs/dbraw/zinc/35/82/00/439358200.db2.gz XABMEJIIESPOIM-OPRDCNLKSA-N 1 0 331.398 0.322 20 5 ECBDRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599236909 439394919 /nfs/dbraw/zinc/39/49/19/439394919.db2.gz OWWIDYFDLPSERB-NSHDSACASA-N 1 0 345.425 0.871 20 5 ECBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599305671 439426191 /nfs/dbraw/zinc/42/61/91/439426191.db2.gz AXBUPZNFIPNTAO-QWRGUYRKSA-N 1 0 343.409 0.576 20 5 ECBDRO C[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCC[C@@H](C)C1 ZINC000583376444 439455104 /nfs/dbraw/zinc/45/51/04/439455104.db2.gz NYGRBXHIDKYEGA-NFAWXSAZSA-N 1 0 325.413 0.862 20 5 ECBDRO C[NH2+]C[C@H](C)CNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000571062084 439473910 /nfs/dbraw/zinc/47/39/10/439473910.db2.gz LYJHDEBNDFJGKR-LBPRGKRZSA-N 1 0 336.396 0.677 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H](CO)CN1CCCC1 ZINC000583871905 439522440 /nfs/dbraw/zinc/52/24/40/439522440.db2.gz HYNUOGPNGHUWIL-KBPBESRZSA-N 1 0 339.392 0.381 20 5 ECBDRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000599682113 439536131 /nfs/dbraw/zinc/53/61/31/439536131.db2.gz CLKVFJVPFVJZGT-WCQYABFASA-N 1 0 335.320 0.568 20 5 ECBDRO CNc1c(C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000594359979 439547913 /nfs/dbraw/zinc/54/79/13/439547913.db2.gz WCBPBKYDMIIDNK-JTQLQIEISA-N 1 0 337.380 0.433 20 5 ECBDRO COc1ccc(NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594077919 439514738 /nfs/dbraw/zinc/51/47/38/439514738.db2.gz BSZMXBNZCZLERH-NWDGAFQWSA-N 1 0 336.348 0.886 20 5 ECBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000599937094 439578253 /nfs/dbraw/zinc/57/82/53/439578253.db2.gz DBVNJPZOPBLZHU-VXGBXAGGSA-N 1 0 349.343 0.605 20 5 ECBDRO [NH3+][C@@H]1C[C@H]2CN(c3ncnc4sc([N+](=O)[O-])cc43)CCN2C1=O ZINC000594702759 439593358 /nfs/dbraw/zinc/59/33/58/439593358.db2.gz XGHNABXNDCTHIP-IONNQARKSA-N 1 0 334.361 0.348 20 5 ECBDRO [NH3+][C@H]1C[C@@H]2CN(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CCN2C1=O ZINC000594736409 439599747 /nfs/dbraw/zinc/59/97/47/439599747.db2.gz GBBXLHGQZSOBRF-NEPJUHHUSA-N 1 0 348.359 0.110 20 5 ECBDRO C[NH+](C)C[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)c2ccccc2O1 ZINC000610761994 439645084 /nfs/dbraw/zinc/64/50/84/439645084.db2.gz RZBCIJFJWHSIMW-NSHDSACASA-N 1 0 346.347 0.542 20 5 ECBDRO COCC1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC[NH2+]CC1 ZINC000595111396 439654133 /nfs/dbraw/zinc/65/41/33/439654133.db2.gz JQXHUZROMGXWJM-UHFFFAOYSA-N 1 0 344.393 0.284 20 5 ECBDRO C[S@](=O)C1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000573597024 439654426 /nfs/dbraw/zinc/65/44/26/439654426.db2.gz PYRLSYVQZHLXRU-IPQOISQHSA-N 1 0 328.390 0.835 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)N(C)CC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000595115903 439655855 /nfs/dbraw/zinc/65/58/55/439655855.db2.gz MXJMSXZNFRBQBI-UHFFFAOYSA-N 1 0 345.377 0.739 20 5 ECBDRO Cn1c(=O)oc2ccc(C[NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)cc21 ZINC000600758978 439700981 /nfs/dbraw/zinc/70/09/81/439700981.db2.gz XYCSLRPDSJLTBU-LBPRGKRZSA-N 1 0 347.331 0.387 20 5 ECBDRO CC(C)(CO)[NH+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000611515659 439702991 /nfs/dbraw/zinc/70/29/91/439702991.db2.gz DQKABZUSYFRHOZ-UHFFFAOYSA-N 1 0 336.392 0.922 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CCCC[C@H]2C[NH+](C)C)c([N+](=O)[O-])n1 ZINC000595344613 439708520 /nfs/dbraw/zinc/70/85/20/439708520.db2.gz HPWNLDCZGPSKBI-NSHDSACASA-N 1 0 345.425 0.916 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CC[NH2+][C@H](C(C)C)C2)c([N+](=O)[O-])n1 ZINC000595411984 439724107 /nfs/dbraw/zinc/72/41/07/439724107.db2.gz JSDPXIGFIWTDJM-JTQLQIEISA-N 1 0 331.398 0.430 20 5 ECBDRO Cc1c(NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000595230195 439677013 /nfs/dbraw/zinc/67/70/13/439677013.db2.gz MFXBWNSUNBVIEY-MNOVXSKESA-N 1 0 333.348 0.679 20 5 ECBDRO C[NH2+]CCOCCN(C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600725201 439694800 /nfs/dbraw/zinc/69/48/00/439694800.db2.gz CZEKVUXAPYIBDJ-OAHLLOKOSA-N 1 0 336.392 0.868 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCCn2cncn2)cc1 ZINC000612029845 439743679 /nfs/dbraw/zinc/74/36/79/439743679.db2.gz GYUIIZBLLSNQAR-UHFFFAOYSA-N 1 0 339.377 0.640 20 5 ECBDRO COC[C@H](C)C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000187912687 320538096 /nfs/dbraw/zinc/53/80/96/320538096.db2.gz GRKXJKFXMPCNRZ-LLVKDONJSA-N 1 0 331.394 0.745 20 5 ECBDRO C[NH+](C)CCN1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000282569389 320610170 /nfs/dbraw/zinc/61/01/70/320610170.db2.gz AEXYIWAPVLXNLT-UHFFFAOYSA-N 1 0 339.371 0.636 20 5 ECBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)Cn2cncn2)cc1[N+](=O)[O-] ZINC000353768462 321413669 /nfs/dbraw/zinc/41/36/69/321413669.db2.gz OCLWQHUQVONOFB-NSHDSACASA-N 1 0 349.347 0.916 20 5 ECBDRO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccnc(OCC[NH+](C)C)c1 ZINC000361545153 321615006 /nfs/dbraw/zinc/61/50/06/321615006.db2.gz ZSOBBEKWBASNMH-UHFFFAOYSA-N 1 0 334.336 0.916 20 5 ECBDRO C[N@H+]1C[C@H]2CN(c3cccc([N+](=O)[O-])c3S(N)(=O)=O)C[C@H]2C1 ZINC000555498912 322181765 /nfs/dbraw/zinc/18/17/65/322181765.db2.gz XKGDHQASSKAQCW-AOOOYVTPSA-N 1 0 326.378 0.240 20 5 ECBDRO Cc1nc2n(n1)C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000560871479 322251017 /nfs/dbraw/zinc/25/10/17/322251017.db2.gz AWBNTFKSEXRQML-JSGCOSHPSA-N 1 0 347.375 0.839 20 5 ECBDRO COC[C@]1(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC[NH2+]C1 ZINC000562977810 322290643 /nfs/dbraw/zinc/29/06/43/322290643.db2.gz LNKHWJNMQPZNPC-HNNXBMFYSA-N 1 0 337.380 0.581 20 5 ECBDRO CNc1ccc(C(=O)N(C)CC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000563038084 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C[C@@H]([NH3+])CCNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000429050102 210294657 /nfs/dbraw/zinc/29/46/57/210294657.db2.gz XEQIEFZSDLWWHA-SNVBAGLBSA-N 1 0 344.393 0.117 20 5 ECBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419168422 209008776 /nfs/dbraw/zinc/00/87/76/209008776.db2.gz SDIMPEORVHWRQD-VIFPVBQESA-N 1 0 326.740 0.343 20 5 ECBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000419276527 209048458 /nfs/dbraw/zinc/04/84/58/209048458.db2.gz SZIAVKYBELHHFD-YPMHNXCESA-N 1 0 334.376 0.949 20 5 ECBDRO C[C@@H](C[NH3+])CNC(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000419349145 209066140 /nfs/dbraw/zinc/06/61/40/209066140.db2.gz LXADAWOINHMTNH-LBPRGKRZSA-N 1 0 336.392 0.745 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000261636106 286350171 /nfs/dbraw/zinc/35/01/71/286350171.db2.gz DKDJLHBKVXKUJI-CMPLNLGQSA-N 1 0 341.389 0.976 20 5 ECBDRO C[C@H]1C[NH2+]CCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000261892418 165260057 /nfs/dbraw/zinc/26/00/57/165260057.db2.gz UCOQONUETHZTGK-NSHDSACASA-N 1 0 335.364 0.214 20 5 ECBDRO CCCN(c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000261961185 165269200 /nfs/dbraw/zinc/26/92/00/165269200.db2.gz ORMNKJYYKFRFEI-SNVBAGLBSA-N 1 0 328.394 0.821 20 5 ECBDRO C[C@]1(C[NH3+])CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000262181292 165304927 /nfs/dbraw/zinc/30/49/27/165304927.db2.gz ZCSWFOGOKIFSPE-MRXNPFEDSA-N 1 0 349.391 0.591 20 5 ECBDRO C[NH2+]CCNC(=O)c1cc(OC)c(OCCOC)cc1[N+](=O)[O-] ZINC000262527360 165359620 /nfs/dbraw/zinc/35/96/20/165359620.db2.gz BIJJUAFLIRJBBC-UHFFFAOYSA-N 1 0 327.337 0.578 20 5 ECBDRO CC[NH2+]CCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262727833 165378170 /nfs/dbraw/zinc/37/81/70/165378170.db2.gz BPIPCLXYIQLWDK-UHFFFAOYSA-N 1 0 331.350 0.254 20 5 ECBDRO C[NH+](C)C1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000301094783 296882140 /nfs/dbraw/zinc/88/21/40/296882140.db2.gz QGIWSUMVOROCOA-UHFFFAOYSA-N 1 0 328.394 0.773 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000171956136 227385756 /nfs/dbraw/zinc/38/57/56/227385756.db2.gz AANQMTJDANSDSX-CYBMUJFWSA-N 1 0 337.380 0.362 20 5 ECBDRO CSC1(CNC(=O)c2nn(C)cc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000359258368 299830076 /nfs/dbraw/zinc/83/00/76/299830076.db2.gz JBRKHRFGDKWABI-UHFFFAOYSA-N 1 0 327.410 0.886 20 5 ECBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000331688178 296957343 /nfs/dbraw/zinc/95/73/43/296957343.db2.gz WHGKTSILBMYTIO-ZIAGYGMSSA-N 1 0 346.387 0.988 20 5 ECBDRO [NH3+]CCN(Cc1ccccc1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000184194285 263158389 /nfs/dbraw/zinc/15/83/89/263158389.db2.gz FXBCIQJVYFIHEI-UHFFFAOYSA-N 1 0 330.344 0.744 20 5 ECBDRO COCC[NH+]1CCC(NC(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000195356413 263171043 /nfs/dbraw/zinc/17/10/43/263171043.db2.gz GEHXLBXYRKPZQD-UHFFFAOYSA-N 1 0 339.396 0.717 20 5 ECBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NCCCC[N@H+]1CCC[C@H]1CO ZINC000270684006 263262681 /nfs/dbraw/zinc/26/26/81/263262681.db2.gz QLBCDUJCMOJLTH-LBPRGKRZSA-N 1 0 325.369 0.144 20 5 ECBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272410810 263347373 /nfs/dbraw/zinc/34/73/73/263347373.db2.gz ZHPATPGSYKMERY-LLVKDONJSA-N 1 0 336.348 0.299 20 5 ECBDRO C[NH+](C)[C@H]1CCCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000272520260 263350201 /nfs/dbraw/zinc/35/02/01/263350201.db2.gz NRYBEZBGPAUMMO-JTQLQIEISA-N 1 0 328.394 0.773 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1(CO)CCOCC1 ZINC000272966854 263383045 /nfs/dbraw/zinc/38/30/45/263383045.db2.gz AWUXZGNZGQENMJ-LBPRGKRZSA-N 1 0 326.349 0.466 20 5 ECBDRO COCCC[NH+]1CCC(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000274997763 263537910 /nfs/dbraw/zinc/53/79/10/263537910.db2.gz NQGOENQMCZLJND-UHFFFAOYSA-N 1 0 338.364 0.926 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCOCCO ZINC000282310473 264033578 /nfs/dbraw/zinc/03/35/78/264033578.db2.gz GWBRCLIGGBBFPT-UHFFFAOYSA-N 1 0 341.364 0.873 20 5 ECBDRO CC1(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)COC1 ZINC000285543320 264321366 /nfs/dbraw/zinc/32/13/66/264321366.db2.gz UDAXZVCADBIODA-UHFFFAOYSA-N 1 0 329.378 0.499 20 5 ECBDRO CN(CC[NH3+])S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000420472974 276942400 /nfs/dbraw/zinc/94/24/00/276942400.db2.gz UEEGTABBHUNIID-UHFFFAOYSA-N 1 0 338.183 0.937 20 5 ECBDRO COC(=O)c1cn(C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)nn1 ZINC000183730506 277445165 /nfs/dbraw/zinc/44/51/65/277445165.db2.gz PDCJFLMNPHDGLK-UHFFFAOYSA-N 1 0 349.351 0.507 20 5 ECBDRO COc1ccc(OCCN2CC[NH+](C[C@@H](C)O)CC2)c([N+](=O)[O-])c1 ZINC000189401700 437597368 /nfs/dbraw/zinc/59/73/68/437597368.db2.gz DKDFRHDAOKTPGH-CYBMUJFWSA-N 1 0 339.392 0.981 20 5 ECBDRO C[C@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1C[NH2+]C1 ZINC000422951001 279471214 /nfs/dbraw/zinc/47/12/14/279471214.db2.gz ZJZMONUUWWADCE-JTQLQIEISA-N 1 0 328.394 0.071 20 5 ECBDRO Cc1cccc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1[N+](=O)[O-] ZINC000264496131 281194001 /nfs/dbraw/zinc/19/40/01/281194001.db2.gz JVIOTSFMRXKGSG-ZDUSSCGKSA-N 1 0 334.376 0.973 20 5 ECBDRO C[N@@H+]1CC[C@@]2(CCN(c3cc([N+](=O)[O-])cc(S(N)(=O)=O)c3)C2)C1 ZINC000291616920 437613123 /nfs/dbraw/zinc/61/31/23/437613123.db2.gz ANPBPOVRNGYNLN-CQSZACIVSA-N 1 0 340.405 0.774 20 5 ECBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184795345 289143503 /nfs/dbraw/zinc/14/35/03/289143503.db2.gz NVNZRLHEEYRWEX-GFCCVEGCSA-N 1 0 337.380 0.755 20 5 ECBDRO C[NH+](C)CCOc1cc(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)ccn1 ZINC000354436054 437615964 /nfs/dbraw/zinc/61/59/64/437615964.db2.gz SWTVDABPVITUDR-UHFFFAOYSA-N 1 0 334.336 0.583 20 5 ECBDRO C[C@H](C[NH+](C)C)NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000346257393 298243440 /nfs/dbraw/zinc/24/34/40/298243440.db2.gz JKWFNDXOMFNKDP-LLVKDONJSA-N 1 0 337.380 0.460 20 5 ECBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352478014 298933220 /nfs/dbraw/zinc/93/32/20/298933220.db2.gz QYVSWGNZUGTVNA-XJKSGUPXSA-N 1 0 347.419 0.901 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)s1 ZINC000352536130 298941440 /nfs/dbraw/zinc/94/14/40/298941440.db2.gz ZXFJIDCSJPTFFB-JTQLQIEISA-N 1 0 346.434 0.325 20 5 ECBDRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000363300737 300259473 /nfs/dbraw/zinc/25/94/73/300259473.db2.gz YGQHATLZWDWHFL-AYRXBEOTSA-N 1 0 325.409 0.999 20 5 ECBDRO NC(=O)c1ccc(CN2CC[NH+](C[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000073100672 436069688 /nfs/dbraw/zinc/06/96/88/436069688.db2.gz MWBIBBXCVVPELR-OAHLLOKOSA-N 1 0 348.403 0.990 20 5 ECBDRO O=C1CC2(CN1)CC[NH+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000075013535 436147413 /nfs/dbraw/zinc/14/74/13/436147413.db2.gz HNMFGNPRPRJLGF-CQSZACIVSA-N 1 0 349.387 0.937 20 5 ECBDRO CC(C)(O)C[N@@H+]1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000372559374 301009448 /nfs/dbraw/zinc/00/94/48/301009448.db2.gz ZQTSNPBFIGFHTP-UHFFFAOYSA-N 1 0 325.369 0.097 20 5 ECBDRO C[NH+](C)CCN1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000376493734 301267672 /nfs/dbraw/zinc/26/76/72/301267672.db2.gz WYJIXKBZSXKMEQ-UHFFFAOYSA-N 1 0 335.408 0.887 20 5 ECBDRO CCCc1n[nH]c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000377593344 301363040 /nfs/dbraw/zinc/36/30/40/301363040.db2.gz NNLILDLRTKTGSD-MNOVXSKESA-N 1 0 337.380 0.863 20 5 ECBDRO CC(=O)N1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000028694871 436192521 /nfs/dbraw/zinc/19/25/21/436192521.db2.gz HQKWGRVQZQXLEZ-OAHLLOKOSA-N 1 0 337.376 0.889 20 5 ECBDRO C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000493768663 301552656 /nfs/dbraw/zinc/55/26/56/301552656.db2.gz PLLKHRQQEIDSOF-NXEZZACHSA-N 1 0 340.405 0.924 20 5 ECBDRO COC1CC[NH+](CCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000079668520 436303045 /nfs/dbraw/zinc/30/30/45/436303045.db2.gz CHDQSCUOIMJLAC-UHFFFAOYSA-N 1 0 339.396 0.753 20 5 ECBDRO COCCC[N@@H+]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000081100691 436338459 /nfs/dbraw/zinc/33/84/59/436338459.db2.gz ODDRRFYSBUHPCM-HNNXBMFYSA-N 1 0 341.412 0.196 20 5 ECBDRO CCOC(=O)C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000083244267 436368768 /nfs/dbraw/zinc/36/87/68/436368768.db2.gz MVYDOAFCWBDVCV-AWEZNQCLSA-N 1 0 340.380 0.960 20 5 ECBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)C1CC1 ZINC000091481315 436450302 /nfs/dbraw/zinc/45/03/02/436450302.db2.gz SBPBLCOCSDUCQB-LBPRGKRZSA-N 1 0 328.394 0.994 20 5 ECBDRO COC(=O)CCC1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000531002068 302037356 /nfs/dbraw/zinc/03/73/56/302037356.db2.gz LSHJPXPNYXSZOA-AWEZNQCLSA-N 1 0 340.380 0.817 20 5 ECBDRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])CCSC1 ZINC000531368047 302051109 /nfs/dbraw/zinc/05/11/09/302051109.db2.gz SKNLPYYJXWHANH-GFCCVEGCSA-N 1 0 346.434 0.705 20 5 ECBDRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)CC1 ZINC000535727606 302123811 /nfs/dbraw/zinc/12/38/11/302123811.db2.gz IDEKHEDGASVLBE-LBPRGKRZSA-N 1 0 336.396 0.558 20 5 ECBDRO CC(C)c1n[nH]c(C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC000552028297 302381583 /nfs/dbraw/zinc/38/15/83/302381583.db2.gz UOHSECHHMGZLEM-OAHLLOKOSA-N 1 0 337.380 0.628 20 5 ECBDRO CCCc1n[nH]c(C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)c1[N+](=O)[O-] ZINC000552082765 302383475 /nfs/dbraw/zinc/38/34/75/302383475.db2.gz BHVHSIRWACTPMN-VIFPVBQESA-N 1 0 340.384 0.067 20 5 ECBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000556849890 302452697 /nfs/dbraw/zinc/45/26/97/302452697.db2.gz DWAGBSOWSQGPTJ-MRXNPFEDSA-N 1 0 335.360 0.547 20 5 ECBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000556852032 302453104 /nfs/dbraw/zinc/45/31/04/302453104.db2.gz ZXYCMIFGDJYKJL-INIZCTEOSA-N 1 0 335.360 0.547 20 5 ECBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000068467611 436745757 /nfs/dbraw/zinc/74/57/57/436745757.db2.gz MNTUSUGPEWTZJF-LBPRGKRZSA-N 1 0 338.412 0.242 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCN2CC[NH2+]CC2)c(Cl)c1 ZINC000237814177 436745838 /nfs/dbraw/zinc/74/58/38/436745838.db2.gz RZQDQRBMEARMMY-UHFFFAOYSA-N 1 0 348.812 0.432 20 5 ECBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000237892583 436747808 /nfs/dbraw/zinc/74/78/08/436747808.db2.gz XYDJEMJJNPCQAP-LHRNQBEKSA-N 1 0 346.387 0.922 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](OCCO)C1 ZINC000273349879 436748454 /nfs/dbraw/zinc/74/84/54/436748454.db2.gz PBYSQOJXEIFPGW-KBPBESRZSA-N 1 0 340.376 0.808 20 5 ECBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272491548 436717908 /nfs/dbraw/zinc/71/79/08/436717908.db2.gz TYSMSOFEDYEQGB-SWLSCSKDSA-N 1 0 346.387 0.877 20 5 ECBDRO C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CN(C)CCO1 ZINC000125982976 436780345 /nfs/dbraw/zinc/78/03/45/436780345.db2.gz UKNIBACXWMFLQM-ZWNOBZJWSA-N 1 0 329.378 0.592 20 5 ECBDRO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000275132108 436928021 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C[NH2+]CCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440334979 438546444 /nfs/dbraw/zinc/54/64/44/438546444.db2.gz FHAYEATVGMWGLK-UHFFFAOYSA-N 1 0 338.183 0.855 20 5 ECBDRO C[C@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]1 ZINC000422936409 438619303 /nfs/dbraw/zinc/61/93/03/438619303.db2.gz MIXCPOSLIYYOKE-FZMZJTMJSA-N 1 0 342.421 0.603 20 5 ECBDRO C[C@@H]1CC[NH2+]C[C@H]1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422950014 438620049 /nfs/dbraw/zinc/62/00/49/438620049.db2.gz WZODHWYLOFDQBJ-BXUZGUMPSA-N 1 0 342.421 0.461 20 5 ECBDRO C[C@@H]1CC[NH2+]C[C@H]1NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422979796 438623009 /nfs/dbraw/zinc/62/30/09/438623009.db2.gz KGWZKQPEDXBCRQ-VXGBXAGGSA-N 1 0 342.421 0.461 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)NCC[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000422809516 438607839 /nfs/dbraw/zinc/60/78/39/438607839.db2.gz RXKNONCOHIKCSM-LBPRGKRZSA-N 1 0 334.376 0.749 20 5 ECBDRO C[C@H]1CN(C(=O)C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000423580865 438691692 /nfs/dbraw/zinc/69/16/92/438691692.db2.gz AARHHYWUGLBSKU-SMDDNHRTSA-N 1 0 334.376 0.401 20 5 ECBDRO C[C@H]1CN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1[NH3+] ZINC000423305660 438659156 /nfs/dbraw/zinc/65/91/56/438659156.db2.gz KXQZMVHZHQBMGP-HZMBPMFUSA-N 1 0 332.360 0.285 20 5 ECBDRO CNc1nc(C(=O)NCC2CC[NH+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000455982698 438755432 /nfs/dbraw/zinc/75/54/32/438755432.db2.gz LKHNVDNDLIMXAC-UHFFFAOYSA-N 1 0 337.380 0.466 20 5 ECBDRO CNc1nc(C(=O)NCCC[N@H+](C)CCOC)ccc1[N+](=O)[O-] ZINC000454692547 438725610 /nfs/dbraw/zinc/72/56/10/438725610.db2.gz BWYBPARCMNNNBK-UHFFFAOYSA-N 1 0 325.369 0.730 20 5 ECBDRO CNc1nc(C(=O)NC2CC[NH+](CCOC)CC2)ccc1[N+](=O)[O-] ZINC000455018904 438736091 /nfs/dbraw/zinc/73/60/91/438736091.db2.gz FRYSHJXSRJRKMX-UHFFFAOYSA-N 1 0 337.380 0.872 20 5 ECBDRO [NH3+][C@H]1C[C@@H]2CN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000575936111 438760914 /nfs/dbraw/zinc/76/09/14/438760914.db2.gz LUWJTXMHSFPVRN-KOLCDFICSA-N 1 0 338.751 0.632 20 5 ECBDRO CCO[C@H]1C[C@@]([NH3+])(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000577103962 438815046 /nfs/dbraw/zinc/81/50/46/438815046.db2.gz GSDYNWVRGFXPRE-SMDDNHRTSA-N 1 0 325.369 0.440 20 5 ECBDRO CO[C@@]1(CO)CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000595661091 438841228 /nfs/dbraw/zinc/84/12/28/438841228.db2.gz IAZZIFWLFZUTTA-HOCLYGCPSA-N 1 0 340.376 0.808 20 5 ECBDRO [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000595965547 438904170 /nfs/dbraw/zinc/90/41/70/438904170.db2.gz FXPCMPNWTBWDNL-CSJGVYOVSA-N 1 0 348.359 0.742 20 5 ECBDRO [NH3+]CC12CC(C1)CN2C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000595942860 438892488 /nfs/dbraw/zinc/89/24/88/438892488.db2.gz KXIYWCGDEBZIJK-UHFFFAOYSA-N 1 0 328.332 0.739 20 5 ECBDRO CC(C)c1n[nH]c(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000590338110 438912333 /nfs/dbraw/zinc/91/23/33/438912333.db2.gz VFYSZTBVYAAQRY-OAHLLOKOSA-N 1 0 339.396 0.970 20 5 ECBDRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000590402419 438918600 /nfs/dbraw/zinc/91/86/00/438918600.db2.gz TUAKHAIBMJYVSS-ZIAGYGMSSA-N 1 0 337.380 0.503 20 5 ECBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCOC2(C[NH2+]C2)C1 ZINC000596098329 438924457 /nfs/dbraw/zinc/92/44/57/438924457.db2.gz KZYMSJROHIDNQX-UHFFFAOYSA-N 1 0 343.343 0.595 20 5 ECBDRO COc1cc(C(=O)N2CCOC3(C[NH2+]C3)C2)c([N+](=O)[O-])cc1OC ZINC000596099227 438925000 /nfs/dbraw/zinc/92/50/00/438925000.db2.gz QAIFSDXSCQNOIP-UHFFFAOYSA-N 1 0 337.332 0.426 20 5 ECBDRO C[NH+](C)C[C@H]1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000596125465 438929462 /nfs/dbraw/zinc/92/94/62/438929462.db2.gz CCONXNGDBLRESY-SNVBAGLBSA-N 1 0 328.394 0.630 20 5 ECBDRO C[NH+](C)[C@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000590586643 438936787 /nfs/dbraw/zinc/93/67/87/438936787.db2.gz PLEUEBDVMDSTQM-STQMWFEESA-N 1 0 329.378 0.031 20 5 ECBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000590586955 438937363 /nfs/dbraw/zinc/93/73/63/438937363.db2.gz XXYRDJQDBLLPSV-RYUDHWBXSA-N 1 0 329.378 0.199 20 5 ECBDRO C[NH2+]C[C@](C)(O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000578778264 438954647 /nfs/dbraw/zinc/95/46/47/438954647.db2.gz NTEQNPCPBPTAGQ-AWEZNQCLSA-N 1 0 342.421 0.385 20 5 ECBDRO C[C@@H](CN(C)CCC[NH+](C)C)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000596359813 438958831 /nfs/dbraw/zinc/95/88/31/438958831.db2.gz FYINXZHUUPBQTD-LBPRGKRZSA-N 1 0 335.412 1.321 20 5 ECBDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000596449341 438963645 /nfs/dbraw/zinc/96/36/45/438963645.db2.gz FFGFHHWXPBKHRG-LBPRGKRZSA-N 1 0 325.413 0.935 20 5 ECBDRO COCC[N@@H+]1CC[C@H](NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000517403916 438965220 /nfs/dbraw/zinc/96/52/20/438965220.db2.gz JJEUDYULPOCPNW-ZDUSSCGKSA-N 1 0 337.376 0.983 20 5 ECBDRO O=C1C[C@H]([N@@H+]2C[C@@H]3COC[C@@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000601909557 438990100 /nfs/dbraw/zinc/99/01/00/438990100.db2.gz FQMIVHBBOCPNHW-WDMOLILDSA-N 1 0 331.328 0.805 20 5 ECBDRO O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000601980809 438995953 /nfs/dbraw/zinc/99/59/53/438995953.db2.gz PMLVYJSPZNGNBI-INIZCTEOSA-N 1 0 348.407 0.801 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000591299743 438998948 /nfs/dbraw/zinc/99/89/48/438998948.db2.gz TZLWSAVNHMUSFX-ZWNOBZJWSA-N 1 0 336.348 0.416 20 5 ECBDRO C[NH+](C)CCC[C@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CCO1 ZINC000596818010 439003616 /nfs/dbraw/zinc/00/36/16/439003616.db2.gz XOQUZWYZNYWCMB-LBPRGKRZSA-N 1 0 337.380 0.986 20 5 ECBDRO C[C@H]([NH3+])CNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000591361326 439009069 /nfs/dbraw/zinc/00/90/69/439009069.db2.gz UISBNGBIBKBFIT-NSHDSACASA-N 1 0 335.364 0.409 20 5 ECBDRO C[C@@]1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC(=O)N1 ZINC000566121548 439011424 /nfs/dbraw/zinc/01/14/24/439011424.db2.gz JFMCWCRHPPLRFY-AWEZNQCLSA-N 1 0 341.389 0.627 20 5 ECBDRO Cc1ccc(NCCCNC(=O)CN2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000602455960 439088088 /nfs/dbraw/zinc/08/80/88/439088088.db2.gz UTJKPVJZIQLBMV-UHFFFAOYSA-N 1 0 335.408 0.727 20 5 ECBDRO CC[NH2+][C@@H](C)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000602444742 439089190 /nfs/dbraw/zinc/08/91/90/439089190.db2.gz NXXKZXMJSJFBRC-JTQLQIEISA-N 1 0 340.405 0.939 20 5 ECBDRO Cn1cc(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c([N+](=O)[O-])n1 ZINC000602463958 439091465 /nfs/dbraw/zinc/09/14/65/439091465.db2.gz YCCQUQUQRXMAIZ-OAHLLOKOSA-N 1 0 336.440 0.930 20 5 ECBDRO COc1cc(OCC(=O)N2CCC(O)(C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000519825199 439066938 /nfs/dbraw/zinc/06/69/38/439066938.db2.gz KLFAIQZFVFGSDT-UHFFFAOYSA-N 1 0 339.348 0.294 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCCS2(=O)=O)c1 ZINC000566556674 439071451 /nfs/dbraw/zinc/07/14/51/439071451.db2.gz KNKNWSZEFQZGBY-TZMCWYRMSA-N 1 0 344.389 0.501 20 5 ECBDRO [NH3+][C@H]1C[C@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CCN2C1=O ZINC000566573016 439074038 /nfs/dbraw/zinc/07/40/38/439074038.db2.gz UWYFDLYJUOVARJ-RYUDHWBXSA-N 1 0 344.327 0.725 20 5 ECBDRO COC(=O)c1ccc(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000566673252 439080490 /nfs/dbraw/zinc/08/04/90/439080490.db2.gz GCZNYULGETYPLO-OAHLLOKOSA-N 1 0 348.359 0.771 20 5 ECBDRO CCN(C)C(=O)[C@@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591763455 439082970 /nfs/dbraw/zinc/08/29/70/439082970.db2.gz HNIMSOAYBWIYSN-DGCLKSJQSA-N 1 0 325.365 0.791 20 5 ECBDRO CN1C(=O)CC[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1=O ZINC000566733727 439085300 /nfs/dbraw/zinc/08/53/00/439085300.db2.gz XXWCBYKVFHKPQG-QWRGUYRKSA-N 1 0 337.332 0.072 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000566761047 439086050 /nfs/dbraw/zinc/08/60/50/439086050.db2.gz CEDWGOMBHBZVOI-WFASDCNBSA-N 1 0 337.376 0.907 20 5 ECBDRO COc1cc(CN2C(=O)NC3(CC[NH2+]CC3)C2=O)ccc1[N+](=O)[O-] ZINC000592166608 439170430 /nfs/dbraw/zinc/17/04/30/439170430.db2.gz GRDUJXRHBKPQHI-UHFFFAOYSA-N 1 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ZINC000592387387 439217749 /nfs/dbraw/zinc/21/77/49/439217749.db2.gz WUVMOURUJQGAFE-NXEZZACHSA-N 1 0 329.378 0.974 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000598540549 439276971 /nfs/dbraw/zinc/27/69/71/439276971.db2.gz PLZGBMLVRGKELA-CYBMUJFWSA-N 1 0 339.396 0.669 20 5 ECBDRO CC[NH2+]CCCNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000592459147 439234086 /nfs/dbraw/zinc/23/40/86/439234086.db2.gz KZZHITHNHKTKIH-UHFFFAOYSA-N 1 0 340.405 0.902 20 5 ECBDRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000592549398 439249790 /nfs/dbraw/zinc/24/97/90/439249790.db2.gz BUGSTZCIGBQLAG-LBPRGKRZSA-N 1 0 337.332 0.581 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCS(=O)(=O)C2)c1 ZINC000603495434 439265406 /nfs/dbraw/zinc/26/54/06/439265406.db2.gz YNUQZGGHMGCZFP-WCQYABFASA-N 1 0 344.389 0.359 20 5 ECBDRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000582295377 439314719 /nfs/dbraw/zinc/31/47/19/439314719.db2.gz DWUANJRWOMAHRL-UHFFFAOYSA-N 1 0 334.376 0.547 20 5 ECBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000598776965 439314767 /nfs/dbraw/zinc/31/47/67/439314767.db2.gz RDVTVENJNYNOQK-GFCCVEGCSA-N 1 0 336.348 0.367 20 5 ECBDRO CN(CCN1CC[NH2+]CC1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000592982741 439327684 /nfs/dbraw/zinc/32/76/84/439327684.db2.gz GITFBTQVLFUQDJ-UHFFFAOYSA-N 1 0 342.421 0.262 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCCS1(=O)=O ZINC000569449675 439332922 /nfs/dbraw/zinc/33/29/22/439332922.db2.gz NQUTUFHAKVHFBK-VXGBXAGGSA-N 1 0 344.389 0.501 20 5 ECBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598663860 439298224 /nfs/dbraw/zinc/29/82/24/439298224.db2.gz AHQSNLLTIIFEDW-GWCFXTLKSA-N 1 0 335.364 0.831 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)ccc1[N+](=O)[O-] ZINC000598668113 439300063 /nfs/dbraw/zinc/30/00/63/439300063.db2.gz QKQUQHKNYZCDTO-GUYCJALGSA-N 1 0 346.387 0.973 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]([NH3+])Cc3ccccc32)n1 ZINC000599103968 439359056 /nfs/dbraw/zinc/35/90/56/439359056.db2.gz YACQHXBENMSNMF-JTQLQIEISA-N 1 0 337.361 0.407 20 5 ECBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCN1CC[C@H](O)C1 ZINC000599093247 439355202 /nfs/dbraw/zinc/35/52/02/439355202.db2.gz NEVZCRZJQPBSPU-DOMZBBRYSA-N 1 0 336.392 0.968 20 5 ECBDRO Cc1cc(NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000569710155 439356148 /nfs/dbraw/zinc/35/61/48/439356148.db2.gz OOYSFTSGKQEJKW-NWDGAFQWSA-N 1 0 333.348 0.679 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1([NH3+])CCOCC1 ZINC000599103374 439356691 /nfs/dbraw/zinc/35/66/91/439356691.db2.gz RUZRQXSVANVPGW-UHFFFAOYSA-N 1 0 329.378 0.689 20 5 ECBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC2(C[NH3+])CCOCC2)c1C ZINC000599105027 439358229 /nfs/dbraw/zinc/35/82/29/439358229.db2.gz WTQXTOGUUZHYEG-UHFFFAOYSA-N 1 0 343.405 0.998 20 5 ECBDRO CCc1nn(C)c(OC)c1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000569921553 439373911 /nfs/dbraw/zinc/37/39/11/439373911.db2.gz XTNIQZDXNJEGJZ-LLVKDONJSA-N 1 0 338.368 0.247 20 5 ECBDRO CN1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000582727292 439374722 /nfs/dbraw/zinc/37/47/22/439374722.db2.gz GAPJYSDGVHHCAP-ZDUSSCGKSA-N 1 0 342.421 0.042 20 5 ECBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593554296 439403181 /nfs/dbraw/zinc/40/31/81/439403181.db2.gz VFBDXAPXMNNPBL-LLVKDONJSA-N 1 0 328.394 0.952 20 5 ECBDRO Cc1cc(S(=O)(=O)N2CC(N3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000593651351 439436544 /nfs/dbraw/zinc/43/65/44/439436544.db2.gz IPIJDNZGLYNJAP-GFCCVEGCSA-N 1 0 341.389 0.343 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)n1 ZINC000599338745 439440355 /nfs/dbraw/zinc/44/03/55/439440355.db2.gz WDDUIJZKKPTILK-SECBINFHSA-N 1 0 331.398 0.479 20 5 ECBDRO CCOC(=O)C[C@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000599387775 439451832 /nfs/dbraw/zinc/45/18/32/439451832.db2.gz RNKUPAXHDGEWGO-LBPRGKRZSA-N 1 0 326.353 0.742 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000593770030 439464589 /nfs/dbraw/zinc/46/45/89/439464589.db2.gz ITDLLRFQTIMYNV-UHFFFAOYSA-N 1 0 336.348 0.787 20 5 ECBDRO COc1ccc(NC(=O)CC[N@H+](C)CCNC(C)=O)c([N+](=O)[O-])c1 ZINC000571043259 439470051 /nfs/dbraw/zinc/47/00/51/439470051.db2.gz FSDCEWQODYFTCD-UHFFFAOYSA-N 1 0 338.364 1.000 20 5 ECBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000571102987 439475347 /nfs/dbraw/zinc/47/53/47/439475347.db2.gz YIXHUDWDZJKCBO-NSHDSACASA-N 1 0 336.396 0.328 20 5 ECBDRO CCO[C@@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@H]1C[NH3+] ZINC000593917003 439494058 /nfs/dbraw/zinc/49/40/58/439494058.db2.gz UAVOFMYUZYIMGN-ZYHUDNBSSA-N 1 0 325.369 0.349 20 5 ECBDRO CN1CC[C@@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000583747845 439507747 /nfs/dbraw/zinc/50/77/47/439507747.db2.gz GUVQYZZNMVZYER-OCCSQVGLSA-N 1 0 337.376 0.793 20 5 ECBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCC[NH+]1CCC(O)CC1 ZINC000593739286 439459237 /nfs/dbraw/zinc/45/92/37/439459237.db2.gz XVXOPANDGUBLIK-UHFFFAOYSA-N 1 0 325.340 0.849 20 5 ECBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599633804 439521580 /nfs/dbraw/zinc/52/15/80/439521580.db2.gz WTUTVFKNQSXHHK-IFMYKAFSSA-N 1 0 325.390 0.742 20 5 ECBDRO CNS(=O)(=O)C[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000599693064 439536966 /nfs/dbraw/zinc/53/69/66/439536966.db2.gz WAUZWBVWFWNIHO-NSHDSACASA-N 1 0 331.398 0.053 20 5 ECBDRO Cn1c(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000608861428 439547785 /nfs/dbraw/zinc/54/77/85/439547785.db2.gz VKHHXOTUCVXXEE-GFCCVEGCSA-N 1 0 349.391 0.488 20 5 ECBDRO CCNC(=O)c1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000572101137 439555632 /nfs/dbraw/zinc/55/56/32/439555632.db2.gz LEIIZYLXNXVKNI-HNNXBMFYSA-N 1 0 347.375 0.692 20 5 ECBDRO CN1C[C@@H]([N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCC1=O ZINC000572100428 439555763 /nfs/dbraw/zinc/55/57/63/439555763.db2.gz XEEYVCFNHLQGLP-KBPBESRZSA-N 1 0 337.376 0.887 20 5 ECBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594420429 439557381 /nfs/dbraw/zinc/55/73/81/439557381.db2.gz TVCMXVXUYQDXMZ-CHWSQXEVSA-N 1 0 334.376 0.890 20 5 ECBDRO [NH3+]C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C(F)(F)F ZINC000594450710 439562278 /nfs/dbraw/zinc/56/22/78/439562278.db2.gz SPCMITIZTSMACM-SECBINFHSA-N 1 0 335.238 0.985 20 5 ECBDRO CC(C)(C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1)n1cc([N+](=O)[O-])cn1 ZINC000599938933 439580490 /nfs/dbraw/zinc/58/04/90/439580490.db2.gz STKZNWIKTBAVHA-WCQYABFASA-N 1 0 337.380 0.194 20 5 ECBDRO COCCC[N@H+](C)CCNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610265574 439608627 /nfs/dbraw/zinc/60/86/27/439608627.db2.gz UQCDECGLSUTPNE-UHFFFAOYSA-N 1 0 332.382 0.236 20 5 ECBDRO COC[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000584715416 439609989 /nfs/dbraw/zinc/60/99/89/439609989.db2.gz SFGLICOEMZKYHA-ZBFHGGJFSA-N 1 0 334.376 1.000 20 5 ECBDRO CCn1cc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])n1 ZINC000611105829 439672397 /nfs/dbraw/zinc/67/23/97/439672397.db2.gz XRBBGOYSYROAHG-SNVBAGLBSA-N 1 0 331.398 0.431 20 5 ECBDRO CC[N@@H+]1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000611084668 439671691 /nfs/dbraw/zinc/67/16/91/439671691.db2.gz IDTHXKCPAWNJCQ-SNVBAGLBSA-N 1 0 328.394 0.773 20 5 ECBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000600532196 439675149 /nfs/dbraw/zinc/67/51/49/439675149.db2.gz HLPUTYWEAAFMQR-SNVBAGLBSA-N 1 0 345.302 0.993 20 5 ECBDRO [NH3+][C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[C@@H]1c1cccc(F)c1 ZINC000595223842 439675971 /nfs/dbraw/zinc/67/59/71/439675971.db2.gz BQAAQXHMJNVRQP-CHWSQXEVSA-N 1 0 348.338 0.669 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)n1 ZINC000611334842 439691315 /nfs/dbraw/zinc/69/13/15/439691315.db2.gz PKENHZQJYHAKRG-LBPRGKRZSA-N 1 0 337.380 0.655 20 5 ECBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@H+](CCOC)C2)n1 ZINC000617405657 439877555 /nfs/dbraw/zinc/87/75/55/439877555.db2.gz JNMUPORREWEFOH-LLVKDONJSA-N 1 0 325.369 0.652 20 5 ECBDRO Cc1c(CC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000290114641 320678781 /nfs/dbraw/zinc/67/87/81/320678781.db2.gz YPBVGCHBDREKLH-OAHLLOKOSA-N 1 0 332.404 0.952 20 5 ECBDRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000313345011 320703698 /nfs/dbraw/zinc/70/36/98/320703698.db2.gz INXDDMOWVPZOSK-SNVBAGLBSA-N 1 0 349.796 0.987 20 5 ECBDRO CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C[NH3+])C1 ZINC000316582778 320707845 /nfs/dbraw/zinc/70/78/45/320707845.db2.gz MVLCKGMBPJKGMO-JTQLQIEISA-N 1 0 348.812 0.512 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000323153284 320719240 /nfs/dbraw/zinc/71/92/40/320719240.db2.gz JBNQETSPMIUICY-CMPLNLGQSA-N 1 0 341.389 0.976 20 5 ECBDRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000330612985 320844281 /nfs/dbraw/zinc/84/42/81/320844281.db2.gz RNBJSCNFXYDLBS-RYUDHWBXSA-N 1 0 331.398 0.241 20 5 ECBDRO O=C(NCC[NH+]1CCC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000337308114 320944068 /nfs/dbraw/zinc/94/40/68/320944068.db2.gz XMQOLJVROFRWAG-NSHDSACASA-N 1 0 336.348 0.614 20 5 ECBDRO CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N[C@@H](C)C[NH3+] ZINC000347643547 321247114 /nfs/dbraw/zinc/24/71/14/321247114.db2.gz AQSIEDQTXNTOBA-IUCAKERBSA-N 1 0 344.393 0.503 20 5 ECBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000355317128 321498558 /nfs/dbraw/zinc/49/85/58/321498558.db2.gz MGICOBQWJJPCDV-LBPRGKRZSA-N 1 0 325.369 0.361 20 5 ECBDRO CN(CC[N@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000547439179 322126920 /nfs/dbraw/zinc/12/69/20/322126920.db2.gz SUQDSIIZQSOCFX-UHFFFAOYSA-N 1 0 328.394 0.773 20 5 ECBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000560506440 322245653 /nfs/dbraw/zinc/24/56/53/322245653.db2.gz XZLZKMGQIYENAS-INIZCTEOSA-N 1 0 335.360 0.547 20 5 ECBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000562383069 322272130 /nfs/dbraw/zinc/27/21/30/322272130.db2.gz QDTHGGWMGUITQL-WFASDCNBSA-N 1 0 337.376 0.907 20 5 ECBDRO O=C(NCCN1C[C@H]2CC[C@@H](C1)O2)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000562628689 322279558 /nfs/dbraw/zinc/27/95/58/322279558.db2.gz CDBBSPIUFBAQHI-PHIMTYICSA-N 1 0 349.343 0.917 20 5 ECBDRO C[NH2+]CCCN(C)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000566208296 322513441 /nfs/dbraw/zinc/51/34/41/322513441.db2.gz ITEJXDBOKZRDRY-UHFFFAOYSA-N 1 0 329.378 0.680 20 5 ECBDRO COc1ccc2c(c1)OC[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000567581766 322587679 /nfs/dbraw/zinc/58/76/79/322587679.db2.gz PLLKAMFZLSWISK-GXTWGEPZSA-N 1 0 348.359 0.754 20 5 ECBDRO COC1([C@@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCOCC1 ZINC000567693058 322593269 /nfs/dbraw/zinc/59/32/69/322593269.db2.gz JOMKIQDPXALHEF-YPMHNXCESA-N 1 0 328.369 0.326 20 5 ECBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCCO1 ZINC000568392284 322626705 /nfs/dbraw/zinc/62/67/05/322626705.db2.gz PWUACMJIDCOJBY-CYBMUJFWSA-N 1 0 345.359 0.970 20 5 ECBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)NCc3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000569215987 322646859 /nfs/dbraw/zinc/64/68/59/322646859.db2.gz JJJZPLKIRVPMMA-MRVWCRGKSA-N 1 0 332.360 0.407 20 5 ECBDRO Cc1c(C(=O)N[C@@H](C)C[C@H](C)[NH3+])cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000569246457 322648238 /nfs/dbraw/zinc/64/82/38/322648238.db2.gz CUBSAFHUIOJJJR-YUMQZZPRSA-N 1 0 344.393 0.406 20 5 ECBDRO CCNC(=O)C1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1 ZINC000569687512 322661246 /nfs/dbraw/zinc/66/12/46/322661246.db2.gz WZFRWUZLQGKPQV-GFCCVEGCSA-N 1 0 325.369 0.048 20 5 ECBDRO O=C([C@H]1C[C@@]12CC[NH2+]C2)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000571916335 322736307 /nfs/dbraw/zinc/73/63/07/322736307.db2.gz WPLXPBTWPCRLNF-CZUORRHYSA-N 1 0 331.376 0.638 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000576123554 322802063 /nfs/dbraw/zinc/80/20/63/322802063.db2.gz PTDXXSFVUSTDAJ-MNOVXSKESA-N 1 0 349.347 0.379 20 5 ECBDRO CC(=O)N1CCC([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000580415132 322924699 /nfs/dbraw/zinc/92/46/99/322924699.db2.gz CYFYTNNAIVUNHV-HNNXBMFYSA-N 1 0 337.376 0.935 20 5 ECBDRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000237321928 536468167 /nfs/dbraw/zinc/46/81/67/536468167.db2.gz XZSAQNFHZDFYOF-SNVBAGLBSA-N 1 0 329.378 0.833 20 5 ECBDRO CN(C(=O)c1c[nH]nc1[N+](=O)[O-])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000619789008 546369606 /nfs/dbraw/zinc/36/96/06/546369606.db2.gz POTGZTSHTLUWSA-LBPRGKRZSA-N 1 0 336.396 0.558 20 5 ECBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000619874151 546376553 /nfs/dbraw/zinc/37/65/53/546376553.db2.gz ZVSZVYMUHKPVNH-AWEZNQCLSA-N 1 0 334.376 0.480 20 5 ECBDRO C[N@@H+]1CCCN(CCCNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000759849098 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OBELOEVCPNYZIL-GDBMZVCRSA-N 1 0 337.424 0.960 20 5 ECBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1(CO)CCOCC1 ZINC000276769727 437158723 /nfs/dbraw/zinc/15/87/23/437158723.db2.gz KVVLIKUJFGPESG-AWEZNQCLSA-N 1 0 340.376 0.808 20 5 ECBDRO CNC(=O)OC[C@H]1CCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000286684643 437117911 /nfs/dbraw/zinc/11/79/11/437117911.db2.gz CNWRMEFJBYKCAM-YPMHNXCESA-N 1 0 341.368 0.363 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000313353591 437173118 /nfs/dbraw/zinc/17/31/18/437173118.db2.gz NPFUQMSZIKEMGS-GFCCVEGCSA-N 1 0 329.378 0.642 20 5 ECBDRO COC(=O)c1cnc(N[C@H](C)CN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000276898315 437174130 /nfs/dbraw/zinc/17/41/30/437174130.db2.gz MZBMAHTVGHERGK-LLVKDONJSA-N 1 0 337.380 0.824 20 5 ECBDRO Cc1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000316266673 437186110 /nfs/dbraw/zinc/18/61/10/437186110.db2.gz AZKHALBPXCCBIT-NSHDSACASA-N 1 0 328.394 0.167 20 5 ECBDRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000332013871 437195390 /nfs/dbraw/zinc/19/53/90/437195390.db2.gz YMQHPOIQJKWSOG-LBPRGKRZSA-N 1 0 330.348 0.706 20 5 ECBDRO COCC[N@H+](C)CCCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000277158859 437197909 /nfs/dbraw/zinc/19/79/09/437197909.db2.gz SINAKCRVJFVRMM-UHFFFAOYSA-N 1 0 346.409 0.622 20 5 ECBDRO CC(C)(CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000276837188 437168210 /nfs/dbraw/zinc/16/82/10/437168210.db2.gz IVFGXTJBIHYWMB-UHFFFAOYSA-N 1 0 336.392 0.995 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000322683806 437219950 /nfs/dbraw/zinc/21/99/50/437219950.db2.gz HMUAWUKCXHPKGO-SKDRFNHKSA-N 1 0 345.377 0.340 20 5 ECBDRO O=C(NC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1)C1CC1 ZINC000179198468 437254709 /nfs/dbraw/zinc/25/47/09/437254709.db2.gz CAJAHDPMTXMFHH-UHFFFAOYSA-N 1 0 334.376 0.747 20 5 ECBDRO C[NH+](C)[C@]1(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CCSC1 ZINC000278030098 437272891 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20 5 ECBDRO C[NH+](C)CCOc1cnccc1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000341051499 437783514 /nfs/dbraw/zinc/78/35/14/437783514.db2.gz QGEDHWISBQJXGZ-UHFFFAOYSA-N 1 0 333.352 0.336 20 5 ECBDRO CC(C)[NH+]1CCN([C@H]2CCN(c3ncc([N+](=O)[O-])c(N)n3)C2)CC1 ZINC000363922511 437809007 /nfs/dbraw/zinc/80/90/07/437809007.db2.gz QLVXQTFNSDPJSF-LBPRGKRZSA-N 1 0 335.412 0.572 20 5 ECBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000415848860 437870621 /nfs/dbraw/zinc/87/06/21/437870621.db2.gz DXPGGKFKGYQVME-GFCCVEGCSA-N 1 0 349.391 0.170 20 5 ECBDRO Cc1cc(C(=O)N2CCC[C@H]2C(=O)N(C)CC[NH3+])ccc1[N+](=O)[O-] ZINC000424011142 437875321 /nfs/dbraw/zinc/87/53/21/437875321.db2.gz PZSCKEWTKPEJNM-AWEZNQCLSA-N 1 0 334.376 0.925 20 5 ECBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000415719758 437846734 /nfs/dbraw/zinc/84/67/34/437846734.db2.gz HJBMGAKGDBZZPJ-ONGXEEELSA-N 1 0 336.348 0.880 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415747362 437852712 /nfs/dbraw/zinc/85/27/12/437852712.db2.gz ONLUUTKMDGMWHD-WDEREUQCSA-N 1 0 348.359 0.610 20 5 ECBDRO O=[N+]([O-])c1cnc2ccc(NC[C@H]3CCC[C@H]3[NH+]3CCOCC3)nn21 ZINC000371336594 437920779 /nfs/dbraw/zinc/92/07/79/437920779.db2.gz RWVSPYUXBGGKMT-CHWSQXEVSA-N 1 0 346.391 1.550 20 5 ECBDRO Cc1cc(=O)c(C(=O)N[C@H](C)C[NH3+])nn1-c1ccccc1[N+](=O)[O-] ZINC000347658901 437925705 /nfs/dbraw/zinc/92/57/05/437925705.db2.gz QYCKBTOBOGEKGW-SECBINFHSA-N 1 0 331.332 0.526 20 5 ECBDRO C[NH+](C)C1(CNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000416289855 437906515 /nfs/dbraw/zinc/90/65/15/437906515.db2.gz KOUPKJVVAKEPEC-UHFFFAOYSA-N 1 0 334.376 0.925 20 5 ECBDRO COC[C@@]1(CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCC[NH2+]1 ZINC000357263481 437950094 /nfs/dbraw/zinc/95/00/94/437950094.db2.gz YGVHSQOPTPTILT-AWEZNQCLSA-N 1 0 325.369 0.411 20 5 ECBDRO O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)Nc1ccncc1[N+](=O)[O-] ZINC000371578968 437960662 /nfs/dbraw/zinc/96/06/62/437960662.db2.gz HCPUFSGLUUFQJB-VXGBXAGGSA-N 1 0 335.364 0.787 20 5 ECBDRO O=C(NC[C@H]1CN2CCCC[C@@H]2CO1)Nc1ccncc1[N+](=O)[O-] ZINC000371578965 437960852 /nfs/dbraw/zinc/96/08/52/437960852.db2.gz HCPUFSGLUUFQJB-NEPJUHHUSA-N 1 0 335.364 0.787 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000417172693 438028885 /nfs/dbraw/zinc/02/88/85/438028885.db2.gz GFCNYCRJDXPXAK-CYBMUJFWSA-N 1 0 338.364 0.781 20 5 ECBDRO COCC(C)(C)[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000424995078 438006395 /nfs/dbraw/zinc/00/63/95/438006395.db2.gz ABJKVGIXCOGDMO-UHFFFAOYSA-N 1 0 339.396 0.669 20 5 ECBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425048640 438009816 /nfs/dbraw/zinc/00/98/16/438009816.db2.gz OMGAXKMJPJQZNG-DZGCQCFKSA-N 1 0 346.387 0.877 20 5 ECBDRO COc1cc(CN2CC[C@H]3OCC(=O)N[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000366805383 438131007 /nfs/dbraw/zinc/13/10/07/438131007.db2.gz UURVFJLNBNISRA-WCQYABFASA-N 1 0 339.323 0.832 20 5 ECBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000358068961 438142439 /nfs/dbraw/zinc/14/24/39/438142439.db2.gz RZTVXOPHYDRRLN-CQSZACIVSA-N 1 0 327.768 0.974 20 5 ECBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358209594 438181673 /nfs/dbraw/zinc/18/16/73/438181673.db2.gz IBVJAPHUMBBBFT-CQSZACIVSA-N 1 0 343.405 0.557 20 5 ECBDRO Cc1cc(S(=O)(=O)NC[C@@]2(O)CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000358210960 438183222 /nfs/dbraw/zinc/18/32/22/438183222.db2.gz JXVOYPPVQLDUFO-ZDUSSCGKSA-N 1 0 329.378 0.248 20 5 ECBDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418764449 438185248 /nfs/dbraw/zinc/18/52/48/438185248.db2.gz ALADAGJUXWPPMO-FZMZJTMJSA-N 1 0 334.376 0.982 20 5 ECBDRO C[C@@H]1CN(C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000358229854 438186654 /nfs/dbraw/zinc/18/66/54/438186654.db2.gz XQUVLAKLFRMDMB-RISCZKNCSA-N 1 0 342.421 0.413 20 5 ECBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418867992 438227366 /nfs/dbraw/zinc/22/73/66/438227366.db2.gz MTEXFGQYOAVSIB-KGLIPLIRSA-N 1 0 346.387 0.321 20 5 ECBDRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000418867676 438227410 /nfs/dbraw/zinc/22/74/10/438227410.db2.gz MLKPJRGFTCFOPE-CQSZACIVSA-N 1 0 348.403 0.712 20 5 ECBDRO O=C(CC[N@@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000377680550 438324654 /nfs/dbraw/zinc/32/46/54/438324654.db2.gz QDLUQGCGKHJMJW-NEPJUHHUSA-N 1 0 332.360 0.991 20 5 ECBDRO CC[NH2+][C@H](C)CNC(=O)[C@@H](CC)Nc1c([N+](=O)[O-])c(C)nn1C ZINC000358943324 438334652 /nfs/dbraw/zinc/33/46/52/438334652.db2.gz OPRBYKGVOQPCOP-MWLCHTKSSA-N 1 0 326.401 0.941 20 5 ECBDRO COC(=O)[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000378006356 438337039 /nfs/dbraw/zinc/33/70/39/438337039.db2.gz VCRGHOQIBUBDCQ-RYUDHWBXSA-N 1 0 326.353 0.283 20 5 ECBDRO C[C@H](NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000419133271 438339611 /nfs/dbraw/zinc/33/96/11/438339611.db2.gz FTWPUHBQRANAGU-GVXVVHGQSA-N 1 0 334.376 0.968 20 5 ECBDRO C[N@H+](CCN1CCOC(C)(C)C1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000434708389 438318082 /nfs/dbraw/zinc/31/80/82/438318082.db2.gz ROHFWIFKUDRMRQ-CQSZACIVSA-N 1 0 341.412 0.195 20 5 ECBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000368594792 438352071 /nfs/dbraw/zinc/35/20/71/438352071.db2.gz XLNWTCBSQZWYRE-IUODEOHRSA-N 1 0 346.387 0.877 20 5 ECBDRO COCC[N@H+](C)C[C@H](O)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000388284064 438424784 /nfs/dbraw/zinc/42/47/84/438424784.db2.gz SDEXONXJCDZJKG-QMMMGPOBSA-N 1 0 337.174 0.493 20 5 ECBDRO CS(=O)(=O)c1cccc(NC[C@@H]2C[NH2+]CCCO2)c1[N+](=O)[O-] ZINC000389904805 438429898 /nfs/dbraw/zinc/42/98/98/438429898.db2.gz PBEGSFPKBOHVSR-JTQLQIEISA-N 1 0 329.378 0.789 20 5 ECBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H]1C[NH2+]CCN1C ZINC000394095319 438445192 /nfs/dbraw/zinc/44/51/92/438445192.db2.gz MWGXJFYDIRZLFC-LLVKDONJSA-N 1 0 328.394 0.085 20 5 ECBDRO C[C@@H]1[NH2+]CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C ZINC000436064728 438398980 /nfs/dbraw/zinc/39/89/80/438398980.db2.gz MZRYPZZXNCCOBA-UWVGGRQHSA-N 1 0 336.348 0.944 20 5 ECBDRO CCO[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C[C@H]1C[NH3+] ZINC000405804819 438470778 /nfs/dbraw/zinc/47/07/78/438470778.db2.gz SHKOHDTVTZHYKL-DGCLKSJQSA-N 1 0 343.405 0.888 20 5 ECBDRO COc1ccc(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000400219296 438457928 /nfs/dbraw/zinc/45/79/28/438457928.db2.gz WKGYWVRBVHDRIF-LLVKDONJSA-N 1 0 329.378 0.727 20 5 ECBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@]1(CO)CCOC1 ZINC000359581284 438462088 /nfs/dbraw/zinc/46/20/88/438462088.db2.gz WRMXASHOBNUNSR-SWLSCSKDSA-N 1 0 326.349 0.418 20 5 ECBDRO CNS(=O)(=O)CC[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000439145708 438500282 /nfs/dbraw/zinc/50/02/82/438500282.db2.gz JXDVBPMIRLAOEL-JTQLQIEISA-N 1 0 344.393 0.451 20 5 ECBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CCN1C1CC[NH+](C)CC1 ZINC000408076453 438504927 /nfs/dbraw/zinc/50/49/27/438504927.db2.gz JDDDLRSMTUTRIB-NSHDSACASA-N 1 0 336.396 0.558 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1CN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000370055583 438547793 /nfs/dbraw/zinc/54/77/93/438547793.db2.gz KPWREGZPOSMPKR-CQSZACIVSA-N 1 0 336.440 0.930 20 5 ECBDRO C[C@@H]1CC[NH2+]C[C@@H]1NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422940674 438617908 /nfs/dbraw/zinc/61/79/08/438617908.db2.gz TYWXZPISIHICBG-RISCZKNCSA-N 1 0 342.421 0.461 20 5 ECBDRO CCCc1n[nH]c(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)c1[N+](=O)[O-] ZINC000452348354 438653564 /nfs/dbraw/zinc/65/35/64/438653564.db2.gz LHBNJMWOJNIBRM-LLVKDONJSA-N 1 0 339.396 0.847 20 5 ECBDRO Nc1c(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)cc(F)cc1[N+](=O)[O-] ZINC000452352678 438653685 /nfs/dbraw/zinc/65/36/85/438653685.db2.gz SMLNSTQQAXDIHU-NSHDSACASA-N 1 0 340.355 0.893 20 5 ECBDRO C[C@@H]1[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@@H+]1Cc1ccccc1 ZINC000494029171 438666361 /nfs/dbraw/zinc/66/63/61/438666361.db2.gz VGWLREWDSUZQHB-TZMCWYRMSA-N 1 0 344.375 0.966 20 5 ECBDRO Cc1ccsc1[C@@H](CO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000494636856 438701388 /nfs/dbraw/zinc/70/13/88/438701388.db2.gz MMAVKYBYWQOBDT-VXGBXAGGSA-N 1 0 326.378 0.845 20 5 ECBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCC[N@H+]1CCO ZINC000452391084 438659758 /nfs/dbraw/zinc/65/97/58/438659758.db2.gz PLEPUTGUMUVFJT-CQSZACIVSA-N 1 0 337.376 0.937 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H](CO)Cc1cccnc1 ZINC000575312469 438744572 /nfs/dbraw/zinc/74/45/72/438744572.db2.gz SONSCNTXGMPEQV-LSDHHAIUSA-N 1 0 347.371 0.923 20 5 ECBDRO CNC(=O)C(C)(C)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000576747787 438797242 /nfs/dbraw/zinc/79/72/42/438797242.db2.gz CGOLQDULGLIEOS-LLVKDONJSA-N 1 0 325.365 0.696 20 5 ECBDRO C[C@H](C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)[NH+]1CC(C)C1 ZINC000576597092 438790140 /nfs/dbraw/zinc/79/01/40/438790140.db2.gz HURUSJPUKPVQLN-CYBMUJFWSA-N 1 0 333.392 0.979 20 5 ECBDRO CC(C)C[NH2+]C1(CO)CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000595512785 438812422 /nfs/dbraw/zinc/81/24/22/438812422.db2.gz YKNKNBYWHLEUKJ-UHFFFAOYSA-N 1 0 325.413 0.864 20 5 ECBDRO O=[N+]([O-])c1ccc(OCC[NH2+]CC2(O)CCS(=O)(=O)CC2)cc1 ZINC000577275157 438828506 /nfs/dbraw/zinc/82/85/06/438828506.db2.gz MCIDCEODLISDPG-UHFFFAOYSA-N 1 0 344.389 0.503 20 5 ECBDRO C[N@@H+]1C[C@@H]2CCN(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C1 ZINC000590011908 438897441 /nfs/dbraw/zinc/89/74/41/438897441.db2.gz MUZCOKDNWJRZIW-GXFFZTMASA-N 1 0 348.359 0.898 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](CO)c2ccc(F)cc2F)c1 ZINC000595866445 438873180 /nfs/dbraw/zinc/87/31/80/438873180.db2.gz GYQRDPRTFFKULT-RISCZKNCSA-N 1 0 342.302 0.754 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000589925736 438891501 /nfs/dbraw/zinc/89/15/01/438891501.db2.gz PDBIMKJJFWZXAE-ZYHUDNBSSA-N 1 0 341.389 0.928 20 5 ECBDRO CC(C)CN1CCO[C@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000516533150 438912484 /nfs/dbraw/zinc/91/24/84/438912484.db2.gz WCNJIQLSJKRPKZ-LSDHHAIUSA-N 1 0 341.412 0.099 20 5 ECBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590447261 438925854 /nfs/dbraw/zinc/92/58/54/438925854.db2.gz WZTCRVGMQRHMHX-IUODEOHRSA-N 1 0 342.359 0.952 20 5 ECBDRO NC(=O)c1cc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000596111625 438927814 /nfs/dbraw/zinc/92/78/14/438927814.db2.gz AJUORFJYIVBHDQ-LSDHHAIUSA-N 1 0 334.376 0.729 20 5 ECBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCN1CCC(O)CC1)OCCO2 ZINC000590662233 438945898 /nfs/dbraw/zinc/94/58/98/438945898.db2.gz ZJHGDRPATKJYMC-UHFFFAOYSA-N 1 0 337.376 0.912 20 5 ECBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)C2)C1 ZINC000596241875 438946618 /nfs/dbraw/zinc/94/66/18/438946618.db2.gz JCBBCONHHGNFKA-CQSZACIVSA-N 1 0 340.405 0.774 20 5 ECBDRO CNS(=O)(=O)c1ccc(N(C)CC2C[NH+](C)C2)c([N+](=O)[O-])c1 ZINC000596453509 438964169 /nfs/dbraw/zinc/96/41/69/438964169.db2.gz LXKXGOMOHLVSOG-UHFFFAOYSA-N 1 0 328.394 0.501 20 5 ECBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000517404563 438965849 /nfs/dbraw/zinc/96/58/49/438965849.db2.gz PWISSGAMNVLYBM-JTQLQIEISA-N 1 0 337.332 0.774 20 5 ECBDRO CN1CCN(C)[C@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000579104040 438981109 /nfs/dbraw/zinc/98/11/09/438981109.db2.gz ZZMYSQDNTGLBLZ-KGLIPLIRSA-N 1 0 338.408 0.170 20 5 ECBDRO O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601983245 438995331 /nfs/dbraw/zinc/99/53/31/438995331.db2.gz MEUMPYHABSQJKY-CHWSQXEVSA-N 1 0 348.407 0.800 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCO[C@]3(CCSC3)C2)c1 ZINC000566066300 439000561 /nfs/dbraw/zinc/00/05/61/439000561.db2.gz LQNVHBJUZLRRRJ-CHWSQXEVSA-N 1 0 328.394 0.360 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCO[C@@]3(CCSC3)C2)c1 ZINC000566066303 439001350 /nfs/dbraw/zinc/00/13/50/439001350.db2.gz LQNVHBJUZLRRRJ-STQMWFEESA-N 1 0 328.394 0.360 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000591449930 439014631 /nfs/dbraw/zinc/01/46/31/439014631.db2.gz AVQQIFVYSIXRRH-CMPLNLGQSA-N 1 0 341.389 0.976 20 5 ECBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1CCc3nnnn3CC1)OCCO2 ZINC000591504129 439018144 /nfs/dbraw/zinc/01/81/44/439018144.db2.gz OZIMGYYKKBHBEX-LLVKDONJSA-N 1 0 346.347 0.847 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2COc3ccc(F)cc3C2)c1 ZINC000519594582 439042093 /nfs/dbraw/zinc/04/20/93/439042093.db2.gz HEKLGFHBJIKHNS-OCCSQVGLSA-N 1 0 336.323 0.885 20 5 ECBDRO CC[NH+](CC)CC(=O)N1CCN(Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602457378 439090065 /nfs/dbraw/zinc/09/00/65/439090065.db2.gz AQDVDIUVJFSENC-UHFFFAOYSA-N 1 0 338.412 0.314 20 5 ECBDRO C[NH+](C)CCOCCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000471647101 439090317 /nfs/dbraw/zinc/09/03/17/439090317.db2.gz OPLKTSREQBTGSC-UHFFFAOYSA-N 1 0 331.394 0.592 20 5 ECBDRO COCCN1CC[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000591734802 439078767 /nfs/dbraw/zinc/07/87/67/439078767.db2.gz HMGYANCBAMPSGM-UKRRQHHQSA-N 1 0 339.392 0.645 20 5 ECBDRO COC[C@@](C)(O)CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591769553 439082351 /nfs/dbraw/zinc/08/23/51/439082351.db2.gz SLRQQXLKZWYBLO-AWEZNQCLSA-N 1 0 346.405 0.746 20 5 ECBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1nc2sccn2c1[N+](=O)[O-] ZINC000591983050 439126770 /nfs/dbraw/zinc/12/67/70/439126770.db2.gz WCIOURATEFLNEE-VIFPVBQESA-N 1 0 338.393 0.860 20 5 ECBDRO COC(=O)CC[N@@H+]1CCN(Cc2cn(C)nc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602804563 439137709 /nfs/dbraw/zinc/13/77/09/439137709.db2.gz JHNYSRPOTMYMGO-NSHDSACASA-N 1 0 325.369 0.398 20 5 ECBDRO COC(=O)[C@@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000602840660 439141950 /nfs/dbraw/zinc/14/19/50/439141950.db2.gz OYZBMQWVRRLETB-LBPRGKRZSA-N 1 0 325.369 0.136 20 5 ECBDRO COc1cc(OCC(=O)N[C@@H](CO)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000597653803 439150101 /nfs/dbraw/zinc/15/01/01/439150101.db2.gz MQBFDXMESOYMNF-SNVBAGLBSA-N 1 0 327.337 0.021 20 5 ECBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@@H+](C)C[C@@H]1CO ZINC000602904776 439157672 /nfs/dbraw/zinc/15/76/72/439157672.db2.gz LPZRTAOOLFOEJM-CQSZACIVSA-N 1 0 336.392 0.840 20 5 ECBDRO Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000597941683 439201970 /nfs/dbraw/zinc/20/19/70/439201970.db2.gz CWQVYYNHMZTMOI-JTQLQIEISA-N 1 0 326.401 0.628 20 5 ECBDRO CCN(C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000597943983 439202452 /nfs/dbraw/zinc/20/24/52/439202452.db2.gz BJFZAYQQUBZYPX-AWEZNQCLSA-N 1 0 334.376 0.877 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N[C@@H]2CC23CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000592337265 439208938 /nfs/dbraw/zinc/20/89/38/439208938.db2.gz CKZGIJVUINLGCI-CQSZACIVSA-N 1 0 346.387 0.891 20 5 ECBDRO COCC[NH2+]C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000568057118 439209976 /nfs/dbraw/zinc/20/99/76/439209976.db2.gz QZRNTWHGHNYNBK-UHFFFAOYSA-N 1 0 343.405 0.984 20 5 ECBDRO C[C@@H](CCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[NH+](C)C ZINC000598001003 439210632 /nfs/dbraw/zinc/21/06/32/439210632.db2.gz WWWCLXJLKNBJJE-JTQLQIEISA-N 1 0 348.359 0.647 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH2+]CC1(C)C ZINC000592372070 439211866 /nfs/dbraw/zinc/21/18/66/439211866.db2.gz CWNCRLFOAOAUQE-UHFFFAOYSA-N 1 0 329.378 0.976 20 5 ECBDRO C[NH2+]C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000592368892 439213054 /nfs/dbraw/zinc/21/30/54/439213054.db2.gz KZXOCMAHNJCDTO-UHFFFAOYSA-N 1 0 329.378 0.976 20 5 ECBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000592374245 439214911 /nfs/dbraw/zinc/21/49/11/439214911.db2.gz IDOTXHONLLWFGJ-GWCFXTLKSA-N 1 0 343.405 0.894 20 5 ECBDRO C[C@H]([NH3+])CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000592383512 439216370 /nfs/dbraw/zinc/21/63/70/439216370.db2.gz ZRADQFWVVIHNTP-LURJTMIESA-N 1 0 338.183 0.983 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000592387242 439217956 /nfs/dbraw/zinc/21/79/56/439217956.db2.gz BLFPKXRYGDXEKB-UWVGGRQHSA-N 1 0 329.378 0.880 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000592387241 439218311 /nfs/dbraw/zinc/21/83/11/439218311.db2.gz BLFPKXRYGDXEKB-NXEZZACHSA-N 1 0 329.378 0.880 20 5 ECBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)CC1C[NH+](C)C1 ZINC000598162893 439234636 /nfs/dbraw/zinc/23/46/36/439234636.db2.gz KRVQFHDNBUZHNR-GFCCVEGCSA-N 1 0 338.412 0.847 20 5 ECBDRO C[C@H]([NH3+])[C@@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000592475171 439235879 /nfs/dbraw/zinc/23/58/79/439235879.db2.gz ZHKCZYVSOLWYQG-NHYWBVRUSA-N 1 0 334.376 0.532 20 5 ECBDRO COc1cc(CCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000592481020 439237102 /nfs/dbraw/zinc/23/71/02/439237102.db2.gz UDGRDYCJPVPKFC-HBYGRHMLSA-N 1 0 335.360 0.736 20 5 ECBDRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000592555826 439253722 /nfs/dbraw/zinc/25/37/22/439253722.db2.gz QFAJIDBVZXHWBY-AWEZNQCLSA-N 1 0 335.360 0.891 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCS(=O)(=O)C2)c1 ZINC000603495431 439265418 /nfs/dbraw/zinc/26/54/18/439265418.db2.gz YNUQZGGHMGCZFP-AAEUAGOBSA-N 1 0 344.389 0.359 20 5 ECBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CCO1 ZINC000598779558 439316563 /nfs/dbraw/zinc/31/65/63/439316563.db2.gz KJNIOHLIBFSFCW-GFCCVEGCSA-N 1 0 338.364 0.878 20 5 ECBDRO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@@H+]2CC[C@H]1C2 ZINC000598903425 439325493 /nfs/dbraw/zinc/32/54/93/439325493.db2.gz RVBFYWDQKJQUBM-ZDUSSCGKSA-N 1 0 333.348 0.633 20 5 ECBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000598915798 439326596 /nfs/dbraw/zinc/32/65/96/439326596.db2.gz PDMVMVRABPOTNJ-CQSZACIVSA-N 1 0 347.375 0.039 20 5 ECBDRO COC[C@@]1(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)CC[NH2+]C1 ZINC000569481796 439337136 /nfs/dbraw/zinc/33/71/36/439337136.db2.gz RAMUDXMVGSOYPG-MRXNPFEDSA-N 1 0 345.359 1.550 20 5 ECBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000592878920 439294678 /nfs/dbraw/zinc/29/46/78/439294678.db2.gz IMMMNTQXAGUCEZ-GFCCVEGCSA-N 1 0 349.391 0.585 20 5 ECBDRO CNc1ccc(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)cc1[N+](=O)[O-] ZINC000592881602 439297464 /nfs/dbraw/zinc/29/74/64/439297464.db2.gz UOHJDWDJLYMNOI-NSHDSACASA-N 1 0 349.391 0.829 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CCOCC[NH3+] ZINC000599110594 439362256 /nfs/dbraw/zinc/36/22/56/439362256.db2.gz BLALGLWXKVPZBV-UHFFFAOYSA-N 1 0 333.366 0.199 20 5 ECBDRO C[NH+](C)CCN1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1=O ZINC000593235705 439354936 /nfs/dbraw/zinc/35/49/36/439354936.db2.gz VHJWRQWFTBUABL-UHFFFAOYSA-N 1 0 338.339 0.580 20 5 ECBDRO COc1ccc(CC(=O)NC[C@@](C)(O)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000569699169 439355418 /nfs/dbraw/zinc/35/54/18/439355418.db2.gz OFAUPOKGKBPXEZ-INIZCTEOSA-N 1 0 339.392 0.965 20 5 ECBDRO C[C@@H]([NH3+])c1ccc(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000599096968 439355616 /nfs/dbraw/zinc/35/56/16/439355616.db2.gz CVEISJAMMUIRRY-SECBINFHSA-N 1 0 339.377 0.827 20 5 ECBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC1([NH3+])CCOCC1 ZINC000599102565 439356397 /nfs/dbraw/zinc/35/63/97/439356397.db2.gz MQNAUUHITQMCIY-UHFFFAOYSA-N 1 0 343.405 0.998 20 5 ECBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC1([NH3+])CCOCC1 ZINC000599104326 439358657 /nfs/dbraw/zinc/35/86/57/439358657.db2.gz VZGURXXVMOZCCM-UHFFFAOYSA-N 1 0 329.378 0.689 20 5 ECBDRO CN1CCN(C)[C@@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000570273566 439407045 /nfs/dbraw/zinc/40/70/45/439407045.db2.gz PCCMDBWGXQQZFH-ZDUSSCGKSA-N 1 0 335.408 0.759 20 5 ECBDRO CC(C)(CO)[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccnc1 ZINC000570791139 439450449 /nfs/dbraw/zinc/45/04/49/439450449.db2.gz RNEAKDXTKDVITL-HUUCEWRRSA-N 1 0 349.391 0.897 20 5 ECBDRO C[C@H]1CCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000570943837 439463224 /nfs/dbraw/zinc/46/32/24/439463224.db2.gz IQTFORUJWHHMOY-WCQYABFASA-N 1 0 334.376 0.654 20 5 ECBDRO O=C(CC[NH2+]CCNC(=O)c1ccn[nH]1)Nc1ccccc1[N+](=O)[O-] ZINC000570956353 439464772 /nfs/dbraw/zinc/46/47/72/439464772.db2.gz GRYYHQMRJVNLCG-UHFFFAOYSA-N 1 0 346.347 0.666 20 5 ECBDRO O=C(N1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000593901216 439489358 /nfs/dbraw/zinc/48/93/58/439489358.db2.gz BROIHLQSCJRVKU-GUYCJALGSA-N 1 0 346.387 0.479 20 5 ECBDRO C[NH+](C)CC[C@H](N)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000593902019 439489872 /nfs/dbraw/zinc/48/98/72/439489872.db2.gz MNNZWVLMXMHKOP-ZDUSSCGKSA-N 1 0 335.408 0.522 20 5 ECBDRO C[NH+](C)CC[C@H](N)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000593905982 439492799 /nfs/dbraw/zinc/49/27/99/439492799.db2.gz QVPGUXJKEXVHAU-AAEUAGOBSA-N 1 0 336.396 0.282 20 5 ECBDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000593919041 439493848 /nfs/dbraw/zinc/49/38/48/439493848.db2.gz MFBVTPAKIYQUSM-MRVWCRGKSA-N 1 0 337.380 0.679 20 5 ECBDRO COc1cc(C[NH2+]CCCN(C)S(C)(=O)=O)c([N+](=O)[O-])cc1O ZINC000608781908 439546749 /nfs/dbraw/zinc/54/67/49/439546749.db2.gz CYUOTXGZFCQZIA-UHFFFAOYSA-N 1 0 347.393 0.680 20 5 ECBDRO [NH3+]C[C@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C(F)(F)F ZINC000594450711 439562875 /nfs/dbraw/zinc/56/28/75/439562875.db2.gz SPCMITIZTSMACM-VIFPVBQESA-N 1 0 335.238 0.985 20 5 ECBDRO CN(CCOCC[NH3+])C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000599920004 439575523 /nfs/dbraw/zinc/57/55/23/439575523.db2.gz YFUKMSMWCNIBGP-UHFFFAOYSA-N 1 0 336.352 0.588 20 5 ECBDRO COc1cccc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599937081 439579696 /nfs/dbraw/zinc/57/96/96/439579696.db2.gz CWJKBBUKFMPAQQ-NEPJUHHUSA-N 1 0 335.360 0.885 20 5 ECBDRO COc1cc(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000599939530 439580102 /nfs/dbraw/zinc/58/01/02/439580102.db2.gz WKMPWQQLCZLDAN-QWHCGFSZSA-N 1 0 335.360 0.885 20 5 ECBDRO Cc1cc(OCC(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000599938655 439580213 /nfs/dbraw/zinc/58/02/13/439580213.db2.gz CSDVDJZDJWUCCC-UONOGXRCSA-N 1 0 349.387 0.950 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000599939245 439580736 /nfs/dbraw/zinc/58/07/36/439580736.db2.gz UCDIXCIOGBDUEL-OLZOCXBDSA-N 1 0 335.360 0.885 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000599938600 439581880 /nfs/dbraw/zinc/58/18/80/439581880.db2.gz QMCDZRXWUOIZFN-CHWSQXEVSA-N 1 0 335.360 0.885 20 5 ECBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000584361930 439583231 /nfs/dbraw/zinc/58/32/31/439583231.db2.gz IARDJSZAVPETCU-RYUDHWBXSA-N 1 0 347.375 0.086 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000599989360 439589910 /nfs/dbraw/zinc/58/99/10/439589910.db2.gz YGDAEANDVHPQRK-BSLXNSKLSA-N 1 0 346.387 0.732 20 5 ECBDRO COC[C@H](Cc1ccccc1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000584715415 439609391 /nfs/dbraw/zinc/60/93/91/439609391.db2.gz SFGLICOEMZKYHA-HOCLYGCPSA-N 1 0 334.376 1.000 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCc3ccc(O)cc3CC2)c1 ZINC000610390306 439612898 /nfs/dbraw/zinc/61/28/98/439612898.db2.gz JFSQXZDMIMJTFW-INIZCTEOSA-N 1 0 332.360 0.959 20 5 ECBDRO Cc1ccc(NCCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)nc1 ZINC000573357908 439643296 /nfs/dbraw/zinc/64/32/96/439643296.db2.gz HMNNWLMHXMQELN-CQSZACIVSA-N 1 0 334.380 0.947 20 5 ECBDRO COc1cc(CN[C@H]2CS(=O)(=O)C[C@@H]2OC)c([N+](=O)[O-])cc1O ZINC000594964913 439644522 /nfs/dbraw/zinc/64/45/22/439644522.db2.gz CYNMUFNQCHQOQW-ZANVPECISA-N 1 0 346.361 0.211 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CCN(C3CCC3)CC2)c([N+](=O)[O-])n1 ZINC000611107542 439672471 /nfs/dbraw/zinc/67/24/71/439672471.db2.gz ORWCOAUZEDLJJF-UHFFFAOYSA-N 1 0 343.409 0.670 20 5 ECBDRO COc1c(F)cc(S(=O)(=O)NCC23CC(C2)C[NH2+]3)cc1[N+](=O)[O-] ZINC000595121848 439657132 /nfs/dbraw/zinc/65/71/32/439657132.db2.gz SWSHSSOGWZDHHG-UHFFFAOYSA-N 1 0 345.352 0.773 20 5 ECBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000573754614 439664208 /nfs/dbraw/zinc/66/42/08/439664208.db2.gz IGHAWFMDQHUPPK-WFASDCNBSA-N 1 0 337.376 0.907 20 5 ECBDRO CCc1ccc(S(=O)(=O)N2CCCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000574571914 439713548 /nfs/dbraw/zinc/71/35/48/439713548.db2.gz BUXVNYQQQRBHAN-LBPRGKRZSA-N 1 0 343.405 0.896 20 5 ECBDRO Cc1noc(CN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC000595399320 439721178 /nfs/dbraw/zinc/72/11/78/439721178.db2.gz ZGQGKYUWBMKEMU-LBPRGKRZSA-N 1 0 337.380 0.805 20 5 ECBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000611185088 439678482 /nfs/dbraw/zinc/67/84/82/439678482.db2.gz UVUYQIQWXMAGOK-CABCVRRESA-N 1 0 336.392 0.288 20 5 ECBDRO [NH3+][C@@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1F ZINC000595261323 439683470 /nfs/dbraw/zinc/68/34/70/439683470.db2.gz WFLZEEZQMWERKM-CHWSQXEVSA-N 1 0 338.339 0.612 20 5 ECBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000595275664 439688307 /nfs/dbraw/zinc/68/83/07/439688307.db2.gz QLUIMCMOJRUAJL-UHFFFAOYSA-N 1 0 346.347 0.891 20 5 ECBDRO O=C(N1CC[NH2+]CC1)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000600712869 439694372 /nfs/dbraw/zinc/69/43/72/439694372.db2.gz BVYABOPZTRQFQM-UHFFFAOYSA-N 1 0 333.392 0.738 20 5 ECBDRO NC(=O)C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C1CCOCC1 ZINC000181979711 320528784 /nfs/dbraw/zinc/52/87/84/320528784.db2.gz FUCUCDKPFXXDHF-CYBMUJFWSA-N 1 0 338.364 0.017 20 5 ECBDRO O=C(NCCCC[NH+]1CCN(CCO)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000340231166 321026168 /nfs/dbraw/zinc/02/61/68/321026168.db2.gz LCCDKGLAIQBEAF-UHFFFAOYSA-N 1 0 339.396 0.043 20 5 ECBDRO [NH3+][C@@H](CC(F)F)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345834547 321202619 /nfs/dbraw/zinc/20/26/19/321202619.db2.gz ZRUQPRSTRRWJRP-SCZZXKLOSA-N 1 0 329.307 0.985 20 5 ECBDRO 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338.408 0.147 20 5 ECBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(CO)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983652954 744996696 /nfs/dbraw/zinc/99/66/96/744996696.db2.gz FIWAOHKOXCGVIQ-KLHDSHLOSA-N 1 0 333.388 0.829 20 5 ECBDRO Cn1ncc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001020745978 752074010 /nfs/dbraw/zinc/07/40/10/752074010.db2.gz DFQHWSQKGJZHHP-HAQNSBGRSA-N 1 0 330.348 0.774 20 5 ECBDRO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1-n1nnc(CC[NH3+])n1 ZINC001167792754 747591582 /nfs/dbraw/zinc/59/15/82/747591582.db2.gz MGLDLGQSSZPQIT-UHFFFAOYSA-N 1 0 326.700 0.512 20 5 ECBDRO Cc1cnc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC000985432935 747994221 /nfs/dbraw/zinc/99/42/21/747994221.db2.gz HASCRKFKLPOWAE-HUUCEWRRSA-N 1 0 333.392 0.873 20 5 ECBDRO CC(C)n1ncnc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000996428865 757655229 /nfs/dbraw/zinc/65/52/29/757655229.db2.gz JPKNFZFQWBEJDQ-CHWSQXEVSA-N 1 0 336.396 0.605 20 5 ECBDRO 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Cc1ocnc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001020014276 772076324 /nfs/dbraw/zinc/07/63/24/772076324.db2.gz NKGOCZACLAGLMW-MGCOHNPYSA-N 1 0 334.336 0.675 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)c2ccnn2C)C1 ZINC001020019630 772079461 /nfs/dbraw/zinc/07/94/61/772079461.db2.gz PDDYWOWGQQXTLI-MGCOHNPYSA-N 1 0 333.352 0.112 20 5 ECBDRO Cn1nncc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001020118269 772178671 /nfs/dbraw/zinc/17/86/71/772178671.db2.gz IZZYETPGDQTAJF-HAQNSBGRSA-N 1 0 330.348 0.774 20 5 ECBDRO Cn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC001020125180 772188853 /nfs/dbraw/zinc/18/88/53/772188853.db2.gz DXZNZXZSXOWJBA-HAQNSBGRSA-N 1 0 330.348 0.774 20 5 ECBDRO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)CC[N@H+](C)CC)C1 ZINC001079744109 776788738 /nfs/dbraw/zinc/78/87/38/776788738.db2.gz RZFFQMCBSRKKNW-CHWSQXEVSA-N 1 0 326.397 0.053 20 5 ECBDRO Cc1nccnc1C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001072725010 788651829 /nfs/dbraw/zinc/65/18/29/788651829.db2.gz HIKVGCVJCGJIJX-TZMCWYRMSA-N 1 0 331.376 0.485 20 5 ECBDRO CCC[N@H+](C)CC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001067389266 793076375 /nfs/dbraw/zinc/07/63/75/793076375.db2.gz WGQFAWSUJZEAAN-CHWSQXEVSA-N 1 0 328.413 0.300 20 5 ECBDRO CC(=O)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001266668022 836108278 /nfs/dbraw/zinc/10/82/78/836108278.db2.gz MVADXZLUJCQEEY-OKILXGFUSA-N 1 0 334.376 0.810 20 5 ECBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1cnn2c1CCC2 ZINC001266720285 836196080 /nfs/dbraw/zinc/19/60/80/836196080.db2.gz DADJCDCVAJVCJQ-UHFFFAOYSA-N 1 0 347.379 0.333 20 5 ECBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(OCC[NH+](C)C)CC2)n1 ZINC000427849078 210224379 /nfs/dbraw/zinc/22/43/79/210224379.db2.gz MTQOREHMKNUMRY-UHFFFAOYSA-N 1 0 339.396 0.994 20 5 ECBDRO C[N@H+](CCN1CCOCC1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181744413 529911526 /nfs/dbraw/zinc/91/15/26/529911526.db2.gz AIYLWDWIOUJAKA-AWEZNQCLSA-N 1 0 339.392 0.599 20 5 ECBDRO C[C@@]1(O)CC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000178025985 232063049 /nfs/dbraw/zinc/06/30/49/232063049.db2.gz JAIXSJKZIMFSJV-QGZVFWFLSA-N 1 0 348.403 0.700 20 5 ECBDRO C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000423612225 209779917 /nfs/dbraw/zinc/77/99/17/209779917.db2.gz OWWNKZXEFBTCBD-ZDUSSCGKSA-N 1 0 334.376 0.416 20 5 ECBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2C[NH2+]CCCO2)c1C ZINC000420448006 209368660 /nfs/dbraw/zinc/36/86/60/209368660.db2.gz DJCYNQJVZXYGHH-LBPRGKRZSA-N 1 0 343.405 0.868 20 5 ECBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@H]2C[NH2+]CCCO2)c1[N+](=O)[O-] ZINC000420464293 209372257 /nfs/dbraw/zinc/37/22/57/209372257.db2.gz XLEHOLQZIJVXIJ-GFCCVEGCSA-N 1 0 343.405 0.868 20 5 ECBDRO CC[C@H](CO)[NH+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000072797705 216306079 /nfs/dbraw/zinc/30/60/79/216306079.db2.gz NYBYFYMQUZKQQE-CQSZACIVSA-N 1 0 336.392 0.582 20 5 ECBDRO CC[C@@H](CO)[NH+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000072797703 216306537 /nfs/dbraw/zinc/30/65/37/216306537.db2.gz NYBYFYMQUZKQQE-AWEZNQCLSA-N 1 0 336.392 0.582 20 5 ECBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c([N+](=O)[O-])c1 ZINC000072767595 216304364 /nfs/dbraw/zinc/30/43/64/216304364.db2.gz HWLLRONQZCRLQL-OAHLLOKOSA-N 1 0 348.403 0.990 20 5 ECBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000420049824 209289162 /nfs/dbraw/zinc/28/91/62/209289162.db2.gz UUYPIVOXKBBJDK-SWLSCSKDSA-N 1 0 346.387 0.723 20 5 ECBDRO C[C@@H](O)C[NH+]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000189354569 437592632 /nfs/dbraw/zinc/59/26/32/437592632.db2.gz BJNKKBKMZQFGMW-KGLIPLIRSA-N 1 0 339.392 0.333 20 5 ECBDRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000419887380 209238841 /nfs/dbraw/zinc/23/88/41/209238841.db2.gz JCRPRBRPTFODCG-LLVKDONJSA-N 1 0 348.359 0.053 20 5 ECBDRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000419867304 209231277 /nfs/dbraw/zinc/23/12/77/209231277.db2.gz BOCLRJPATIXDCA-LBPRGKRZSA-N 1 0 332.360 0.564 20 5 ECBDRO CC[NH2+]CCNC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000419868169 209231711 /nfs/dbraw/zinc/23/17/11/209231711.db2.gz HSPMDMLVRQVHNT-UHFFFAOYSA-N 1 0 334.376 0.812 20 5 ECBDRO O=C(C[C@H]1COCC[NH2+]1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000261655795 283872735 /nfs/dbraw/zinc/87/27/35/283872735.db2.gz KDSSEHJPDCYBRA-ZDUSSCGKSA-N 1 0 334.376 0.622 20 5 ECBDRO [NH3+]CCCCNC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000419836778 209219045 /nfs/dbraw/zinc/21/90/45/209219045.db2.gz YHEKPGMOVJMJGA-UHFFFAOYSA-N 1 0 336.348 0.040 20 5 ECBDRO C[NH+](C)C[C@@](C)(O)CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000132931036 223374759 /nfs/dbraw/zinc/37/47/59/223374759.db2.gz MQPJVLHKKXOQDZ-ZDUSSCGKSA-N 1 0 331.394 0.723 20 5 ECBDRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000419764180 209200708 /nfs/dbraw/zinc/20/07/08/209200708.db2.gz VRAXIBJQUXBRPH-CYBMUJFWSA-N 1 0 334.376 0.730 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248701786 243608717 /nfs/dbraw/zinc/60/87/17/243608717.db2.gz ZTXZNVGOHQZAAB-ZMLRMANQSA-N 1 0 341.389 0.961 20 5 ECBDRO C[C@H]1[NH2+]CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)[C@H]1C ZINC000262749874 245160230 /nfs/dbraw/zinc/16/02/30/245160230.db2.gz GMWRZHPVTXWWSD-MNOVXSKESA-N 1 0 330.348 0.998 20 5 ECBDRO C[NH+](C)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000111660348 220177153 /nfs/dbraw/zinc/17/71/53/220177153.db2.gz AAWHRUGVENSOEO-JTQLQIEISA-N 1 0 340.405 0.939 20 5 ECBDRO C[NH+](C)CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000111660279 220177252 /nfs/dbraw/zinc/17/72/52/220177252.db2.gz YVUYRVFCQXWOSL-NSHDSACASA-N 1 0 338.364 0.860 20 5 ECBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000264935836 247061225 /nfs/dbraw/zinc/06/12/25/247061225.db2.gz UJSWZUSTFGIWEQ-ZDUSSCGKSA-N 1 0 338.412 0.181 20 5 ECBDRO Cc1nn(C)c(NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1[N+](=O)[O-] ZINC000265164263 247261466 /nfs/dbraw/zinc/26/14/66/247261466.db2.gz WSWXKMSAUDMRJO-GFCCVEGCSA-N 1 0 338.412 0.991 20 5 ECBDRO C[N@@H+]1CC[C@@H]2CN(c3cc([N+](=O)[O-])cc(S(N)(=O)=O)c3)C[C@@H]21 ZINC000450792819 211343197 /nfs/dbraw/zinc/34/31/97/211343197.db2.gz OIUFIOSMWDQYNK-RNCFNFMXSA-N 1 0 326.378 0.383 20 5 ECBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000449713937 211295643 /nfs/dbraw/zinc/29/56/43/211295643.db2.gz ZHLOFMLGUTXSLH-DGCLKSJQSA-N 1 0 334.376 0.958 20 5 ECBDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000152986614 224041257 /nfs/dbraw/zinc/04/12/57/224041257.db2.gz ZGACGFFBXFBGQQ-CYBMUJFWSA-N 1 0 326.309 0.545 20 5 ECBDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000268650025 252102098 /nfs/dbraw/zinc/10/20/98/252102098.db2.gz ZIJXUQHWKNAULI-UHFFFAOYSA-N 1 0 338.364 0.661 20 5 ECBDRO COC(=O)[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000413502075 208335735 /nfs/dbraw/zinc/33/57/35/208335735.db2.gz PVPHFTYMDYFEKP-VIFPVBQESA-N 1 0 339.377 0.845 20 5 ECBDRO CCOc1cc(OC[C@@H](O)CN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000414130404 208395260 /nfs/dbraw/zinc/39/52/60/208395260.db2.gz WWWHWVBTKBIDDA-ZDUSSCGKSA-N 1 0 339.392 0.981 20 5 ECBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2C[NH2+]CCN2C)c1[N+](=O)[O-] ZINC000420453926 209370312 /nfs/dbraw/zinc/37/03/12/209370312.db2.gz KQEPMLRYLBBZSB-LBPRGKRZSA-N 1 0 342.421 0.394 20 5 ECBDRO [NH3+]C[C@H]1CCCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000428637773 210275828 /nfs/dbraw/zinc/27/58/28/210275828.db2.gz FLXAIDHPEWQCEB-LLVKDONJSA-N 1 0 348.359 0.518 20 5 ECBDRO C[NH2+]CCNC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418313476 208795153 /nfs/dbraw/zinc/79/51/53/208795153.db2.gz BUNYBAZOSUWSPT-UHFFFAOYSA-N 1 0 335.364 0.282 20 5 ECBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419168421 209009045 /nfs/dbraw/zinc/00/90/45/209009045.db2.gz SDIMPEORVHWRQD-SECBINFHSA-N 1 0 326.740 0.343 20 5 ECBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000419276525 209048854 /nfs/dbraw/zinc/04/88/54/209048854.db2.gz SZIAVKYBELHHFD-DGCLKSJQSA-N 1 0 334.376 0.949 20 5 ECBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)N2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000419281820 209050242 /nfs/dbraw/zinc/05/02/42/209050242.db2.gz XZFGUWDHPJBKBV-GFCCVEGCSA-N 1 0 334.376 0.902 20 5 ECBDRO [NH3+][C@@H]1CCN(C(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000419346192 209066652 /nfs/dbraw/zinc/06/66/52/209066652.db2.gz IFIJPZBYMGTBKG-CYBMUJFWSA-N 1 0 334.376 0.593 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)n1 ZINC000357907126 299651058 /nfs/dbraw/zinc/65/10/58/299651058.db2.gz HMIJBNWZIGAROQ-NSHDSACASA-N 1 0 325.369 0.511 20 5 ECBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272345364 296766301 /nfs/dbraw/zinc/76/63/01/296766301.db2.gz 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Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000599106755 439358190 /nfs/dbraw/zinc/35/81/90/439358190.db2.gz GYHWWEVXXMAUCE-GHMZBOCLSA-N 1 0 343.409 0.339 20 5 ECBDRO Cn1c2cc(NCC[N@@H+]3CC[C@@H](O)C3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000599176730 439374204 /nfs/dbraw/zinc/37/42/04/439374204.db2.gz VDWBXKYXSBDVFK-SNVBAGLBSA-N 1 0 335.364 0.264 20 5 ECBDRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000599245125 439397149 /nfs/dbraw/zinc/39/71/49/439397149.db2.gz QJUXIWKXVZRZHR-NXEZZACHSA-N 1 0 331.398 0.432 20 5 ECBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000599244981 439397419 /nfs/dbraw/zinc/39/74/19/439397419.db2.gz OUXZDVAZBRIHNS-GHMZBOCLSA-N 1 0 345.425 0.679 20 5 ECBDRO C[NH+](C)CCN1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1=O ZINC000593485971 439386868 /nfs/dbraw/zinc/38/68/68/439386868.db2.gz DTLYKLVJMFLZOA-UHFFFAOYSA-N 1 0 332.364 0.681 20 5 ECBDRO C[C@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000599218884 439388583 /nfs/dbraw/zinc/38/85/83/439388583.db2.gz FIVNNGFTPADQKF-SNVBAGLBSA-N 1 0 331.398 0.339 20 5 ECBDRO [NH3+]C[C@@H]1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000570333014 439411132 /nfs/dbraw/zinc/41/11/32/439411132.db2.gz HRKLGZJSIQIHES-GFCCVEGCSA-N 1 0 329.378 0.028 20 5 ECBDRO O=C(NCC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000583512808 439476232 /nfs/dbraw/zinc/47/62/32/439476232.db2.gz BIHVNMBWZMHUCP-CYBMUJFWSA-N 1 0 349.343 0.947 20 5 ECBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccnc(N)c3[N+](=O)[O-])[C@H]2C1 ZINC000571223475 439483754 /nfs/dbraw/zinc/48/37/54/439483754.db2.gz FUQAJYFBIOXQBR-NWDGAFQWSA-N 1 0 335.364 0.507 20 5 ECBDRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3ccnc(N)c3[N+](=O)[O-])C2)CC1 ZINC000594287438 439535668 /nfs/dbraw/zinc/53/56/68/439535668.db2.gz AUMXQCYMSVKQIX-LLVKDONJSA-N 1 0 348.407 0.470 20 5 ECBDRO [NH3+]C[C@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000594452097 439562696 /nfs/dbraw/zinc/56/26/96/439562696.db2.gz 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C[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(=O)NCC[NH+](C)C ZINC000493069767 439600001 /nfs/dbraw/zinc/60/00/01/439600001.db2.gz JBKKHXNSQQBZDN-GUOLPTJISA-N 1 0 334.376 0.791 20 5 ECBDRO CS[C@@H]1CN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000594767988 439606686 /nfs/dbraw/zinc/60/66/86/439606686.db2.gz ZLXOXBFKCLOQTQ-GHMZBOCLSA-N 1 0 346.434 0.656 20 5 ECBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000610296342 439609144 /nfs/dbraw/zinc/60/91/44/439609144.db2.gz AQDQPIDNSXYGAP-CQSZACIVSA-N 1 0 344.375 0.919 20 5 ECBDRO CNC(=O)C(C)(C)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000573479488 439648829 /nfs/dbraw/zinc/64/88/29/439648829.db2.gz XXMRDQMNMGIMFR-LBPRGKRZSA-N 1 0 325.365 0.696 20 5 ECBDRO CN1CCN(C)[C@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000573597858 439654603 /nfs/dbraw/zinc/65/46/03/439654603.db2.gz WZRBOQNXLRDDRC-CABCVRRESA-N 1 0 338.408 0.170 20 5 ECBDRO C[NH2+]C[C@H](C)NS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000595119178 439656293 /nfs/dbraw/zinc/65/62/93/439656293.db2.gz OREAVSZJDDGGFA-QMMMGPOBSA-N 1 0 331.350 0.268 20 5 ECBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000610969072 439663932 /nfs/dbraw/zinc/66/39/32/439663932.db2.gz KCJLZIXKIVPLGF-ZDUSSCGKSA-N 1 0 334.376 0.843 20 5 ECBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000600808043 439703955 /nfs/dbraw/zinc/70/39/55/439703955.db2.gz GRRPIGUJZDOBPE-NSHDSACASA-N 1 0 337.332 0.162 20 5 ECBDRO C[NH2+]C1(CNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CCC1 ZINC000600825389 439706818 /nfs/dbraw/zinc/70/68/18/439706818.db2.gz STJKOBQSKRUYLT-UHFFFAOYSA-N 1 0 341.389 0.870 20 5 ECBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000600530826 439674916 /nfs/dbraw/zinc/67/49/16/439674916.db2.gz AZMKJIZLQIIXJL-GFCCVEGCSA-N 1 0 345.359 0.577 20 5 ECBDRO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C[C@@H]1[NH3+] ZINC000595228790 439676297 /nfs/dbraw/zinc/67/62/97/439676297.db2.gz LXPWGOBTDHALGO-RNCFNFMXSA-N 1 0 341.389 0.808 20 5 ECBDRO COc1ccc(NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1[N+](=O)[O-] ZINC000595231232 439676428 /nfs/dbraw/zinc/67/64/28/439676428.db2.gz NYELLBAHGRZGQK-WDEREUQCSA-N 1 0 349.347 0.379 20 5 ECBDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595276508 439688043 /nfs/dbraw/zinc/68/80/43/439688043.db2.gz OVYDPIYSAAYSPW-SECBINFHSA-N 1 0 342.783 0.631 20 5 ECBDRO CN(CC(C)(C)[NH3+])C(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000595279315 439689693 /nfs/dbraw/zinc/68/96/93/439689693.db2.gz HZTMYOCAHNHWTK-UHFFFAOYSA-N 1 0 348.363 0.283 20 5 ECBDRO C[NH2+]C[C@H](C)NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595281066 439689731 /nfs/dbraw/zinc/68/97/31/439689731.db2.gz HMTNHOKPKTWXJF-NSHDSACASA-N 1 0 334.376 0.810 20 5 ECBDRO CN1CC(=O)N(CC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1=O ZINC000595478612 439732784 /nfs/dbraw/zinc/73/27/84/439732784.db2.gz BXZIGGSBQUAZJX-UHFFFAOYSA-N 1 0 336.352 0.322 20 5 ECBDRO O=C1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C2CC2)N1 ZINC000342042542 321073213 /nfs/dbraw/zinc/07/32/13/321073213.db2.gz CYSSQSRZVJOBEQ-DCGLDWPTSA-N 1 0 349.387 0.981 20 5 ECBDRO C[C@H]1CN(C)C[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000349684500 321312905 /nfs/dbraw/zinc/31/29/05/321312905.db2.gz KLXYZEPJDBIRAE-SMDDNHRTSA-N 1 0 327.406 0.908 20 5 ECBDRO CCn1cc(S(=O)(=O)NCC2([NH3+])CCCCC2)c([N+](=O)[O-])n1 ZINC000353255324 321387150 /nfs/dbraw/zinc/38/71/50/321387150.db2.gz QOYBADKLMFWHJP-UHFFFAOYSA-N 1 0 331.398 0.751 20 5 ECBDRO C[C@@H]1C[NH+](CCCNC(=O)c2cc([N+](=O)[O-])nn2C)C[C@@H](C)O1 ZINC000356486775 321533701 /nfs/dbraw/zinc/53/37/01/321533701.db2.gz LFYZYOGWTZWGLK-GHMZBOCLSA-N 1 0 325.369 0.557 20 5 ECBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000415412041 321891232 /nfs/dbraw/zinc/89/12/32/321891232.db2.gz HHKJZCINNDTHJJ-SNVBAGLBSA-N 1 0 338.364 0.904 20 5 ECBDRO COc1ccc(CC(=O)NC[C@@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000532789953 322061261 /nfs/dbraw/zinc/06/12/61/322061261.db2.gz WOKMMMZXBZLDOL-OAHLLOKOSA-N 1 0 325.365 0.575 20 5 ECBDRO CC[N@H+](CCO)CCNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000546718816 322120809 /nfs/dbraw/zinc/12/08/09/322120809.db2.gz DVMMFBZQUZRXPP-UHFFFAOYSA-N 1 0 325.365 0.576 20 5 ECBDRO CNS(=O)(=O)[C@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000555417275 322180716 /nfs/dbraw/zinc/18/07/16/322180716.db2.gz DRQJRSQRRGMVKR-LBPRGKRZSA-N 1 0 329.378 0.814 20 5 ECBDRO CSC1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCOCC1 ZINC000562997240 322292019 /nfs/dbraw/zinc/29/20/19/322292019.db2.gz WLOWCBCMGMDMKM-GFCCVEGCSA-N 1 0 330.410 0.654 20 5 ECBDRO C[C@@H](C[S@](C)=O)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000563014602 322292920 /nfs/dbraw/zinc/29/29/20/322292920.db2.gz ZDNBFDWILSTPNM-FVINQWEUSA-N 1 0 334.419 0.725 20 5 ECBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000566728429 322551067 /nfs/dbraw/zinc/55/10/67/322551067.db2.gz VACMTPRNPMJCIQ-TZMCWYRMSA-N 1 0 334.376 0.845 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)c1 ZINC000568884696 322636357 /nfs/dbraw/zinc/63/63/57/322636357.db2.gz QWFIAHZCMHPUAY-IKGGRYGDSA-N 1 0 346.387 0.908 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@]2(CCO)CCOC2)c1 ZINC000569485839 322655109 /nfs/dbraw/zinc/65/51/09/322655109.db2.gz NAEAMXQWOINIQV-GOEBONIOSA-N 1 0 340.376 0.713 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H](CO)[C@H]2CCOC2)c1 ZINC000570842962 322702031 /nfs/dbraw/zinc/70/20/31/322702031.db2.gz JRZHULHWLUEMGQ-KCQAQPDRSA-N 1 0 340.376 0.569 20 5 ECBDRO C[C@H](C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000573336931 322760288 /nfs/dbraw/zinc/76/02/88/322760288.db2.gz AVYQEKXEMCJJHN-HERUPUMHSA-N 1 0 325.340 0.971 20 5 ECBDRO CC[NH2+]CCCNC(=O)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000576331624 322805382 /nfs/dbraw/zinc/80/53/82/322805382.db2.gz NMTHBOXPHBWJCG-UHFFFAOYSA-N 1 0 338.364 0.335 20 5 ECBDRO 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LTRCNVUABGEBSC-XYPYZODXSA-N 1 0 349.395 0.370 20 5 ECBDRO Cn1cc(C[NH+]2CCC3(CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)CC2)cn1 ZINC001040700726 783296841 /nfs/dbraw/zinc/29/68/41/783296841.db2.gz PSVYJGWSLPAJTQ-HUUCEWRRSA-N 1 0 347.419 0.900 20 5 ECBDRO Cc1ccc(C[NH+]2CCN(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001266283765 835615540 /nfs/dbraw/zinc/61/55/40/835615540.db2.gz VGZGXJNLEINMDM-IAGOWNOFSA-N 1 0 346.431 0.894 20 5 ECBDRO C[N@H+](CCNC(=O)C1CC(=O)NC(=O)C1)Cc1ccc([N+](=O)[O-])cc1 ZINC001266337936 835722331 /nfs/dbraw/zinc/72/23/31/835722331.db2.gz UDCKUQKVDXYCNX-UHFFFAOYSA-N 1 0 348.359 0.196 20 5 ECBDRO Cc1ccc(NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)c1 ZINC001267371753 837272052 /nfs/dbraw/zinc/27/20/52/837272052.db2.gz SZXSGGKUHFQAAJ-UKRRQHHQSA-N 1 0 348.403 0.955 20 5 ECBDRO [NH3+]CCCNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000040807032 213389795 /nfs/dbraw/zinc/38/97/95/213389795.db2.gz PEMJKWHSWKXLPV-UHFFFAOYSA-N 1 0 338.183 0.984 20 5 ECBDRO [NH3+]C1CCN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000423578497 209769529 /nfs/dbraw/zinc/76/95/29/209769529.db2.gz LFPCQQQSLCTYDA-UHFFFAOYSA-N 1 0 348.359 0.134 20 5 ECBDRO CC(C)([NH3+])CNC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000420069143 209296935 /nfs/dbraw/zinc/29/69/35/209296935.db2.gz BFAJQBPWFOIKCR-UHFFFAOYSA-N 1 0 349.391 0.097 20 5 ECBDRO C[C@@H](CC[NH3+])NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000419999591 209272757 /nfs/dbraw/zinc/27/27/57/209272757.db2.gz SEMRUXMIKDHHAK-NSHDSACASA-N 1 0 334.376 0.939 20 5 ECBDRO COc1c(F)cc(S(=O)(=O)N[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000193234238 240070164 /nfs/dbraw/zinc/07/01/64/240070164.db2.gz KWGWJIZEATZXSE-QMMMGPOBSA-N 1 0 333.341 0.773 20 5 ECBDRO COc1c(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000356113639 299353275 /nfs/dbraw/zinc/35/32/75/299353275.db2.gz QRMGUVHEZVEMJX-LBPRGKRZSA-N 1 0 336.392 0.969 20 5 ECBDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000193658277 240253625 /nfs/dbraw/zinc/25/36/25/240253625.db2.gz DHEPLQIVFFSPSS-BMIGLBTASA-N 1 0 332.360 0.598 20 5 ECBDRO C[NH+](C)CC(=O)N1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000132657463 223352184 /nfs/dbraw/zinc/35/21/84/223352184.db2.gz XNFKOAKFSWMQHT-UHFFFAOYSA-N 1 0 338.339 0.580 20 5 ECBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000356150462 299356050 /nfs/dbraw/zinc/35/60/50/299356050.db2.gz WDVIATRAEANWPE-UHFFFAOYSA-N 1 0 337.380 0.513 20 5 ECBDRO C[NH2+]CCCNC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000419839768 209220230 /nfs/dbraw/zinc/22/02/30/209220230.db2.gz BPPHHRHWORAXEV-UHFFFAOYSA-N 1 0 334.376 0.812 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000419758591 209198901 /nfs/dbraw/zinc/19/89/01/209198901.db2.gz KERIGVJCUUQUMR-PHIMTYICSA-N 1 0 334.376 0.728 20 5 ECBDRO COc1ccc(C[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1O ZINC000080985386 217347332 /nfs/dbraw/zinc/34/73/32/217347332.db2.gz ZEWJKZDHFWRRQK-CYBMUJFWSA-N 1 0 336.348 0.998 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H](OCCO)C2)c1 ZINC000265198739 247289465 /nfs/dbraw/zinc/28/94/65/247289465.db2.gz JAIXLQPZFBWUMI-GDBMZVCRSA-N 1 0 340.376 0.808 20 5 ECBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449740638 211295160 /nfs/dbraw/zinc/29/51/60/211295160.db2.gz HBILCVXMDPGLQB-MFKMUULPSA-N 1 0 333.344 0.729 20 5 ECBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000449633616 211286864 /nfs/dbraw/zinc/28/68/64/211286864.db2.gz ZCKXXHSQAKVJCM-IUCAKERBSA-N 1 0 348.354 0.926 20 5 ECBDRO Cc1cc(=O)c(C(=O)N[C@H](C)[C@H](C)[NH3+])nn1-c1ccccc1[N+](=O)[O-] ZINC000449586356 211284213 /nfs/dbraw/zinc/28/42/13/211284213.db2.gz FYTXZVRDKSISQB-WDEREUQCSA-N 1 0 345.359 0.915 20 5 ECBDRO Cc1cc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)cc([N+](=O)[O-])c1F ZINC000093020211 218186129 /nfs/dbraw/zinc/18/61/29/218186129.db2.gz MBLPFQMZVAYAMI-ZDUSSCGKSA-N 1 0 349.384 0.633 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000443865597 211042333 /nfs/dbraw/zinc/04/23/33/211042333.db2.gz CEGZZDSYCXRGJL-CQSZACIVSA-N 1 0 337.380 0.505 20 5 ECBDRO C[NH+]1CCC(O)(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000443772287 211036138 /nfs/dbraw/zinc/03/61/38/211036138.db2.gz NIOWBDNGYREQAB-UHFFFAOYSA-N 1 0 343.405 0.471 20 5 ECBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C[C@H](C)O)[C@H](C)CO ZINC000443341605 211009904 /nfs/dbraw/zinc/00/99/04/211009904.db2.gz CUOIHOVIUSFXAZ-NEPJUHHUSA-N 1 0 325.365 0.905 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CCC(CC[NH2+]C)CC2)c([N+](=O)[O-])n1 ZINC000440846413 210860214 /nfs/dbraw/zinc/86/02/14/210860214.db2.gz QPECRKBCKUUHHL-UHFFFAOYSA-N 1 0 345.425 0.821 20 5 ECBDRO COC[C@](C)(CCO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000267486126 251102823 /nfs/dbraw/zinc/10/28/23/251102823.db2.gz VBUFWHFUUQSQDI-HNNXBMFYSA-N 1 0 341.364 0.919 20 5 ECBDRO O=C(C[C@@H]1COCC[NH2+]1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000357246610 299546447 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338.364 0.892 20 5 ECBDRO C[C@@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000429151613 210302234 /nfs/dbraw/zinc/30/22/34/210302234.db2.gz SWNARMQRKBNSGQ-ZYHUDNBSSA-N 1 0 330.348 0.985 20 5 ECBDRO C[C@@H](CC[NH3+])NC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418533177 208820795 /nfs/dbraw/zinc/82/07/95/208820795.db2.gz UZIOUGFNDAFKTI-LBPRGKRZSA-N 1 0 349.391 0.800 20 5 ECBDRO C[NH2+]CC1CCN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418922290 208910696 /nfs/dbraw/zinc/91/06/96/208910696.db2.gz KMHJXNIIINGWAN-UHFFFAOYSA-N 1 0 348.403 0.712 20 5 ECBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000419045617 208960605 /nfs/dbraw/zinc/96/06/05/208960605.db2.gz WRSSPPNSMTVXNA-JSGCOSHPSA-N 1 0 348.403 0.839 20 5 ECBDRO CN(C[C@H](O)C[NH2+]CCn1cc([N+](=O)[O-])cn1)C(=O)OC(C)(C)C ZINC000496877848 255138675 /nfs/dbraw/zinc/13/86/75/255138675.db2.gz WXYSEIBWLIOAOT-GFCCVEGCSA-N 1 0 343.384 0.609 20 5 ECBDRO C[NH2+][C@@H](C)CNC(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000419162772 209008400 /nfs/dbraw/zinc/00/84/00/209008400.db2.gz HXKKQXGSCLDNQN-QMMMGPOBSA-N 1 0 328.756 0.589 20 5 ECBDRO Cc1c(C(=O)NCC[C@H](C)[NH3+])cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000269170414 255539003 /nfs/dbraw/zinc/53/90/03/255539003.db2.gz TUXZWZWLHJNPHT-ZETCQYMHSA-N 1 0 330.366 0.018 20 5 ECBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000419271632 209047368 /nfs/dbraw/zinc/04/73/68/209047368.db2.gz OQYCAPJOQWXQOI-NWDGAFQWSA-N 1 0 334.376 0.888 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000119068145 221236565 /nfs/dbraw/zinc/23/65/65/221236565.db2.gz FGYNASMQJSQZLW-UWVGGRQHSA-N 1 0 329.378 0.974 20 5 ECBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000119554150 221346712 /nfs/dbraw/zinc/34/67/12/221346712.db2.gz ZZNLOIJLNVVBMF-JSGCOSHPSA-N 1 0 344.375 0.823 20 5 ECBDRO COc1ccc(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000119075269 286350487 /nfs/dbraw/zinc/35/04/87/286350487.db2.gz JDLFJQZJHRIYBY-ZJUUUORDSA-N 1 0 329.378 0.974 20 5 ECBDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CCO1 ZINC000193666841 165059687 /nfs/dbraw/zinc/05/96/87/165059687.db2.gz WACNUTXFSIAPLU-GFCCVEGCSA-N 1 0 337.380 0.503 20 5 ECBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000247291737 165158959 /nfs/dbraw/zinc/15/89/59/165158959.db2.gz GLCIAVGDBHPFRK-GXTWGEPZSA-N 1 0 336.392 0.945 20 5 ECBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000261640139 165219678 /nfs/dbraw/zinc/21/96/78/165219678.db2.gz DUWWYLDJHPNJNG-ZDUSSCGKSA-N 1 0 340.405 0.263 20 5 ECBDRO COC(=O)COc1ccc(CN2C[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000261774159 165242626 /nfs/dbraw/zinc/24/26/26/165242626.db2.gz DZKXSZHNMBTKSI-BETUJISGSA-N 1 0 335.360 0.798 20 5 ECBDRO [NH3+][C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C1CC1 ZINC000261922389 165263954 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0.356 20 5 ECBDRO COc1cc(S(=O)(=O)NCC[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000262767785 165385203 /nfs/dbraw/zinc/38/52/03/165385203.db2.gz UODPQZKZCDPCEN-JTQLQIEISA-N 1 0 329.378 0.881 20 5 ECBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352496077 298935009 /nfs/dbraw/zinc/93/50/09/298935009.db2.gz ROVVLTAVRYDKDQ-OAHLLOKOSA-N 1 0 347.419 0.821 20 5 ECBDRO CCC[NH+]1CCC(NS(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])CC1 ZINC000331216181 296908850 /nfs/dbraw/zinc/90/88/50/296908850.db2.gz DKRVOKVMEZOPRR-UHFFFAOYSA-N 1 0 345.425 0.964 20 5 ECBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000122600629 222121213 /nfs/dbraw/zinc/12/12/13/222121213.db2.gz GLCIAVGDBHPFRK-OCCSQVGLSA-N 1 0 336.392 0.945 20 5 ECBDRO Cc1cc(S(=O)(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)ccc1[N+](=O)[O-] ZINC000331800564 296969488 /nfs/dbraw/zinc/96/94/88/296969488.db2.gz JWHIUTYQOAHESH-QWHCGFSZSA-N 1 0 327.362 0.265 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000237620906 263173967 /nfs/dbraw/zinc/17/39/67/263173967.db2.gz VYLNQDKALZIWKA-RYUDHWBXSA-N 1 0 334.376 0.910 20 5 ECBDRO COCC[NH2+]CCNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000262666255 263177219 /nfs/dbraw/zinc/17/72/19/263177219.db2.gz OWXQAISOXZIWQX-UHFFFAOYSA-N 1 0 327.337 0.578 20 5 ECBDRO CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N(C)CC[NH+](C)C ZINC000267067119 263180288 /nfs/dbraw/zinc/18/02/88/263180288.db2.gz HYJVVWMJMROBTN-UHFFFAOYSA-N 1 0 346.409 0.775 20 5 ECBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000272273846 263342345 /nfs/dbraw/zinc/34/23/45/263342345.db2.gz NYBWZUJLBPRFTO-WDEREUQCSA-N 1 0 330.348 0.985 20 5 ECBDRO C[C@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@@H](C)C[NH2+]1 ZINC000272555017 263352077 /nfs/dbraw/zinc/35/20/77/263352077.db2.gz LCTVYJNYSFDHMR-QWRGUYRKSA-N 1 0 330.348 0.998 20 5 ECBDRO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000272965200 263383087 /nfs/dbraw/zinc/38/30/87/263383087.db2.gz SDRDHDHZUKVJEO-UHFFFAOYSA-N 1 0 338.364 1.000 20 5 ECBDRO CN(C(=O)CN1CCO[C@@H]2CC[N@H+](C)C[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000284830707 264243931 /nfs/dbraw/zinc/24/39/31/264243931.db2.gz MQLGHGURUVWBKB-JKSUJKDBSA-N 1 0 348.403 0.963 20 5 ECBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H](C)C[NH2+]C ZINC000429234308 276594056 /nfs/dbraw/zinc/59/40/56/276594056.db2.gz GQWBCYPZXJPODK-KOLCDFICSA-N 1 0 326.401 0.799 20 5 ECBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000193479292 277056366 /nfs/dbraw/zinc/05/63/66/277056366.db2.gz WLCUNEQJRRMZJN-CQSZACIVSA-N 1 0 333.392 0.920 20 5 ECBDRO C[N@@H+]1CC[C@@H]2CCN(c3cc([N+](=O)[O-])ccc3S(N)(=O)=O)C[C@@H]21 ZINC000371702653 277146766 /nfs/dbraw/zinc/14/67/66/277146766.db2.gz ZCBQZXSVQDCCMG-MFKMUULPSA-N 1 0 340.405 0.773 20 5 ECBDRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000423729024 278245644 /nfs/dbraw/zinc/24/56/44/278245644.db2.gz WOGJOIMNTXENQG-LBPRGKRZSA-N 1 0 349.391 0.049 20 5 ECBDRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000106895285 279312464 /nfs/dbraw/zinc/31/24/64/279312464.db2.gz IZKYIJKPKZSQNN-GFCCVEGCSA-N 1 0 342.421 0.509 20 5 ECBDRO CCn1cc(S(=O)(=O)N[C@@]2(C[NH3+])CCCC[C@H]2C)c([N+](=O)[O-])n1 ZINC000448181344 281629074 /nfs/dbraw/zinc/62/90/74/281629074.db2.gz PKECUSBRXPTOEA-ZWNOBZJWSA-N 1 0 345.425 0.997 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000262793720 295255269 /nfs/dbraw/zinc/25/52/69/295255269.db2.gz SKKWZZMYFWFTBB-NXEZZACHSA-N 1 0 329.378 0.974 20 5 ECBDRO CCn1cc(S(=O)(=O)NC[C@H](C)[N@H+](C)C2CC2)c([N+](=O)[O-])n1 ZINC000339042597 297316288 /nfs/dbraw/zinc/31/62/88/297316288.db2.gz UGCPGCSSRSKYSX-VIFPVBQESA-N 1 0 331.398 0.572 20 5 ECBDRO CCn1cc(S(=O)(=O)N(CC[NH+](C)C)C(C)C)c([N+](=O)[O-])n1 ZINC000339042500 297316452 /nfs/dbraw/zinc/31/64/52/297316452.db2.gz STEVQTBCJPGASZ-UHFFFAOYSA-N 1 0 333.414 0.772 20 5 ECBDRO COC(=O)c1cc(C)nc(N2CCC([NH2+]CCO)CC2)c1[N+](=O)[O-] ZINC000340029862 297422304 /nfs/dbraw/zinc/42/23/04/297422304.db2.gz MNPOTSDQMRZJEO-UHFFFAOYSA-N 1 0 338.364 0.636 20 5 ECBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]C[C@H]1CCCOC1 ZINC000344352843 298008641 /nfs/dbraw/zinc/00/86/41/298008641.db2.gz ZOVRTRIYOHMQCV-GFCCVEGCSA-N 1 0 343.405 0.889 20 5 ECBDRO CC[N@H+](CCO)CCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000345968694 298204441 /nfs/dbraw/zinc/20/44/41/298204441.db2.gz SHVXACLMWYBTBC-UHFFFAOYSA-N 1 0 345.421 0.804 20 5 ECBDRO C[C@H](C[NH+](C)C)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000346181951 298234057 /nfs/dbraw/zinc/23/40/57/298234057.db2.gz CENRRAVDEGICIF-SECBINFHSA-N 1 0 334.332 0.257 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352495575 298934835 /nfs/dbraw/zinc/93/48/35/298934835.db2.gz MUGZEMRRADUNPH-OAHLLOKOSA-N 1 0 347.419 0.821 20 5 ECBDRO CC1(C)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@]2(CCOC2)O1 ZINC000361522215 300104580 /nfs/dbraw/zinc/10/45/80/300104580.db2.gz AGAVLEGTFMXSEL-DZGCQCFKSA-N 1 0 340.380 0.422 20 5 ECBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363104347 300246877 /nfs/dbraw/zinc/24/68/77/300246877.db2.gz OHXYCZGZVIIHIL-HIFRSBDPSA-N 1 0 335.360 0.953 20 5 ECBDRO CC(C)(O)C[N@@H+]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000364618507 300372589 /nfs/dbraw/zinc/37/25/89/300372589.db2.gz YAAHOLKUGKPSKB-UHFFFAOYSA-N 1 0 339.396 0.487 20 5 ECBDRO COC(=O)[C@]12CCC[C@@H]1C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000364691072 300378794 /nfs/dbraw/zinc/37/87/94/300378794.db2.gz PZUVEDGMWNDGHD-KYOSRNDESA-N 1 0 338.364 0.427 20 5 ECBDRO COc1cc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)ccc1[N+](=O)[O-] ZINC000370173829 300801382 /nfs/dbraw/zinc/80/13/82/300801382.db2.gz OSWXZTPJAZAXJJ-ZYHUDNBSSA-N 1 0 341.389 0.976 20 5 ECBDRO Nc1nc(N2CCC(CC[NH+]3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000076269451 436197979 /nfs/dbraw/zinc/19/79/79/436197979.db2.gz HDHKDBNKPVSIFY-UHFFFAOYSA-N 1 0 336.396 0.906 20 5 ECBDRO CN1CC[NH2+]C[C@@H]1CNc1c(Br)cncc1[N+](=O)[O-] ZINC000394733313 301453168 /nfs/dbraw/zinc/45/31/68/301453168.db2.gz LZBJSFAISPIIPW-MRVPVSSYSA-N 1 0 330.186 0.490 20 5 ECBDRO CCC[N@H+](C)C[C@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000081569247 436351453 /nfs/dbraw/zinc/35/14/53/436351453.db2.gz NWDVHAIYFMTKOK-HIFRSBDPSA-N 1 0 325.413 0.816 20 5 ECBDRO Cn1nccc1[C@@H](CO)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000514939013 301624194 /nfs/dbraw/zinc/62/41/94/301624194.db2.gz JQLGOWOEJJWSTR-VXGBXAGGSA-N 1 0 336.348 0.391 20 5 ECBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H](O)CN1CCOCC1 ZINC000083246456 436369962 /nfs/dbraw/zinc/36/99/62/436369962.db2.gz IKZRLENXLPKIHS-AWEZNQCLSA-N 1 0 339.392 0.599 20 5 ECBDRO C[N@@H+]1CCC[C@H](CNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 ZINC000091482881 436450914 /nfs/dbraw/zinc/45/09/14/436450914.db2.gz FVHVBDMLPJEDRK-SNVBAGLBSA-N 1 0 328.394 0.996 20 5 ECBDRO C[C@@H]1C[N@@H+](CCCNC(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000047434878 436418421 /nfs/dbraw/zinc/41/84/21/436418421.db2.gz DJYZSWAWTMPOQB-TXEJJXNPSA-N 1 0 325.369 0.407 20 5 ECBDRO COc1ccc(NC(=O)C(=O)N(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000527343525 301860528 /nfs/dbraw/zinc/86/05/28/301860528.db2.gz JDJJIHIQNZYSKG-UHFFFAOYSA-N 1 0 338.364 0.952 20 5 ECBDRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000531633614 302060263 /nfs/dbraw/zinc/06/02/63/302060263.db2.gz JTYZYBZQWMTQCW-NSHDSACASA-N 1 0 335.364 0.307 20 5 ECBDRO Cc1nn(C)c(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1[N+](=O)[O-] ZINC000194079700 436659593 /nfs/dbraw/zinc/65/95/93/436659593.db2.gz JJIPRDIXEYAHQP-LBPRGKRZSA-N 1 0 339.396 0.723 20 5 ECBDRO C[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000194737117 436670144 /nfs/dbraw/zinc/67/01/44/436670144.db2.gz HCTIEIVLLNMLTF-JTQLQIEISA-N 1 0 329.378 0.976 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195252334 436683721 /nfs/dbraw/zinc/68/37/21/436683721.db2.gz ZYVSQAFHDZZGPA-WCFLWFBJSA-N 1 0 332.360 0.391 20 5 ECBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)[C@H](C)C[NH2+]1 ZINC000237473699 436735728 /nfs/dbraw/zinc/73/57/28/436735728.db2.gz ZXTIYLWODZFBPO-NXEZZACHSA-N 1 0 341.389 0.821 20 5 ECBDRO Cc1cc(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000237693491 436740871 /nfs/dbraw/zinc/74/08/71/436740871.db2.gz ZNHCGFQIKYELNE-LBPRGKRZSA-N 1 0 334.376 0.830 20 5 ECBDRO Cc1sc(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1[N+](=O)[O-] ZINC000237696226 436742827 /nfs/dbraw/zinc/74/28/27/436742827.db2.gz KVARKWGLKLCSRQ-SNVBAGLBSA-N 1 0 340.405 0.892 20 5 ECBDRO COC[C@@](C)(CCO)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273282915 436743269 /nfs/dbraw/zinc/74/32/69/436743269.db2.gz DMJGBRPAMCLXCU-IUODEOHRSA-N 1 0 328.365 0.712 20 5 ECBDRO Cn1cc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000237784861 436745042 /nfs/dbraw/zinc/74/50/42/436745042.db2.gz QKRDEDVBRBWWIQ-UHFFFAOYSA-N 1 0 339.377 0.396 20 5 ECBDRO C[NH+](C)C[C@@H]1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000273484478 436759205 /nfs/dbraw/zinc/75/92/05/436759205.db2.gz NLRSBLSLRZYPGE-JTQLQIEISA-N 1 0 328.394 0.630 20 5 ECBDRO CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H](O)C(F)(F)F ZINC000249446562 436821796 /nfs/dbraw/zinc/82/17/96/436821796.db2.gz LIPLCMUOYOWLTP-NXEZZACHSA-N 1 0 326.275 0.397 20 5 ECBDRO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247197645 436789321 /nfs/dbraw/zinc/78/93/21/436789321.db2.gz BYOLTKYUVCLIGX-KGLIPLIRSA-N 1 0 339.396 0.485 20 5 ECBDRO Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000127431645 436801550 /nfs/dbraw/zinc/80/15/50/436801550.db2.gz CAGKAWASNBODCO-DZGCQCFKSA-N 1 0 346.387 0.986 20 5 ECBDRO [NH3+]CC1(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCOCC1 ZINC000262276323 436921180 /nfs/dbraw/zinc/92/11/80/436921180.db2.gz TXILQEXOVUIRBZ-UHFFFAOYSA-N 1 0 348.403 0.999 20 5 ECBDRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000293977380 436922931 /nfs/dbraw/zinc/92/29/31/436922931.db2.gz BVBMPCWLOKQHKC-CYBMUJFWSA-N 1 0 345.359 0.467 20 5 ECBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3c([N+](=O)[O-])c(C)nn3C)[C@H]2C1 ZINC000293963649 436924055 /nfs/dbraw/zinc/92/40/55/436924055.db2.gz UATFEJOSLPMOKG-NWDGAFQWSA-N 1 0 337.380 0.572 20 5 ECBDRO C[NH+](C)CCn1nccc1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000293995097 436925434 /nfs/dbraw/zinc/92/54/34/436925434.db2.gz HKCSFVKCVKEHPI-UHFFFAOYSA-N 1 0 334.336 0.153 20 5 ECBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCC1CC[NH+](CCO)CC1 ZINC000160573268 436876197 /nfs/dbraw/zinc/87/61/97/436876197.db2.gz LMZLCBRGXZPXKY-UHFFFAOYSA-N 1 0 337.376 0.794 20 5 ECBDRO C[NH2+][C@H](C)CNC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O ZINC000261715488 436884961 /nfs/dbraw/zinc/88/49/61/436884961.db2.gz KKPYHVHNEZMMRU-SNVBAGLBSA-N 1 0 345.359 0.787 20 5 ECBDRO COc1ccc(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000261728928 436885132 /nfs/dbraw/zinc/88/51/32/436885132.db2.gz RMLWCBBJKDOJAR-ZDUSSCGKSA-N 1 0 334.376 0.723 20 5 ECBDRO COc1cc(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000261741148 436886680 /nfs/dbraw/zinc/88/66/80/436886680.db2.gz SUMPYWUPERBQBP-CYBMUJFWSA-N 1 0 334.376 0.723 20 5 ECBDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000161447382 436892253 /nfs/dbraw/zinc/89/22/53/436892253.db2.gz RCBMJFWBOIYOFW-CYBMUJFWSA-N 1 0 331.394 0.327 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)NC[C@@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000293648032 436896265 /nfs/dbraw/zinc/89/62/65/436896265.db2.gz DXGSFNPMNYNJRZ-LLVKDONJSA-N 1 0 336.392 0.947 20 5 ECBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000162632475 436909981 /nfs/dbraw/zinc/90/99/81/436909981.db2.gz DAEFKPBRVPVMDU-ZDUSSCGKSA-N 1 0 336.396 0.030 20 5 ECBDRO CNC(=O)[C@@]1(C)CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000281067529 436943612 /nfs/dbraw/zinc/94/36/12/436943612.db2.gz KORWMVLIFJMGIJ-WBMJQRKESA-N 1 0 337.376 0.793 20 5 ECBDRO C[N@H+](C[C@@H](O)CN1CCN(c2ncccc2[N+](=O)[O-])CC1)C1CC1 ZINC000298111851 437028416 /nfs/dbraw/zinc/02/84/16/437028416.db2.gz OIWOWUPGTXPSGL-CQSZACIVSA-N 1 0 335.408 0.567 20 5 ECBDRO COCC[N@H+](C)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000263802663 436989234 /nfs/dbraw/zinc/98/92/34/436989234.db2.gz UEFVPDOUTCITNW-UHFFFAOYSA-N 1 0 339.348 0.674 20 5 ECBDRO C[NH+](C)C[C@H]1CCCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000263920295 437002333 /nfs/dbraw/zinc/00/23/33/437002333.db2.gz RGQPGPGZWHGFEI-CQSZACIVSA-N 1 0 334.376 0.877 20 5 ECBDRO CCCNC(=O)C1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000173472397 437052933 /nfs/dbraw/zinc/05/29/33/437052933.db2.gz RWJFKZKJMMSLBG-CQSZACIVSA-N 1 0 339.396 0.390 20 5 ECBDRO NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000301167174 437115485 /nfs/dbraw/zinc/11/54/85/437115485.db2.gz VKJGVDAGQVBCJT-NSHDSACASA-N 1 0 340.405 0.917 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2[C@@H](CO)CC[C@@H]2CO)c1 ZINC000287406211 437186390 /nfs/dbraw/zinc/18/63/90/437186390.db2.gz OGYNNQXMHYZWMR-MCIONIFRSA-N 1 0 326.349 0.152 20 5 ECBDRO O=[N+]([O-])c1cnn(CC[N@H+](CCO)CCOCC(F)(F)F)c1 ZINC000266914487 437265945 /nfs/dbraw/zinc/26/59/45/437265945.db2.gz FHQCECDDTQBIAF-UHFFFAOYSA-N 1 0 326.275 0.665 20 5 ECBDRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000325130245 437229809 /nfs/dbraw/zinc/22/98/09/437229809.db2.gz JMPDVRPYPCLJGE-VOTSOKGWSA-N 1 0 332.360 0.498 20 5 ECBDRO O=C(COC1CC[NH2+]CC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000327756309 437235139 /nfs/dbraw/zinc/23/51/39/437235139.db2.gz QWGDKCDPXIIVRJ-UHFFFAOYSA-N 1 0 349.391 0.407 20 5 ECBDRO COC[C@@]1(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC[NH2+]C1 ZINC000327849989 437235948 /nfs/dbraw/zinc/23/59/48/437235948.db2.gz RHFZBPYUTMOEJQ-MRXNPFEDSA-N 1 0 349.391 0.265 20 5 ECBDRO O=C1C[C@@]2(CC[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)CN1 ZINC000278858122 437350503 /nfs/dbraw/zinc/35/05/03/437350503.db2.gz KYUYBUJNUOAWDR-BBRMVZONSA-N 1 0 335.360 0.547 20 5 ECBDRO O=C1NC(=O)[C@]2(CCC[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)N1 ZINC000279135438 437377045 /nfs/dbraw/zinc/37/70/45/437377045.db2.gz WSLYRNNICQDPLU-SWLSCSKDSA-N 1 0 334.332 0.302 20 5 ECBDRO COc1cc(C(=O)NCCN2CC[NH2+]CC2)cc([N+](=O)[O-])c1OC ZINC000269123681 437456650 /nfs/dbraw/zinc/45/66/50/437456650.db2.gz ANBOOAHUKHKCFX-UHFFFAOYSA-N 1 0 338.364 0.247 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000290021890 437458019 /nfs/dbraw/zinc/45/80/19/437458019.db2.gz FLVKJXMMHLJANQ-UBHSHLNASA-N 1 0 346.387 0.781 20 5 ECBDRO C[NH+]1CCC(CCO)(NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000354147261 437541680 /nfs/dbraw/zinc/54/16/80/437541680.db2.gz GYESLPRWJQJRNG-UHFFFAOYSA-N 1 0 337.376 0.937 20 5 ECBDRO CCn1cc(S(=O)(=O)N[C@H](C)C[NH+](CC)CC)c([N+](=O)[O-])n1 ZINC000360012738 437503143 /nfs/dbraw/zinc/50/31/43/437503143.db2.gz WCAWJNJBLJGGPI-SNVBAGLBSA-N 1 0 333.414 0.820 20 5 ECBDRO CCc1n[nH]c(C(=O)NCCC[N@H+](C)CCN(C)C)c1[N+](=O)[O-] ZINC000290660970 437512778 /nfs/dbraw/zinc/51/27/78/437512778.db2.gz OHILIIVOEATOON-UHFFFAOYSA-N 1 0 326.401 0.494 20 5 ECBDRO CCOC(=O)CC(C)(C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000343883233 437679505 /nfs/dbraw/zinc/67/95/05/437679505.db2.gz AACIZCVXXFINGU-GFCCVEGCSA-N 1 0 328.369 0.816 20 5 ECBDRO C[C@H]1COCC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000192509339 437680008 /nfs/dbraw/zinc/68/00/08/437680008.db2.gz PKCIZWLJRCDFHA-FZMZJTMJSA-N 1 0 343.405 0.888 20 5 ECBDRO COc1ccc(S(=O)(=O)N2C[C@H]3C[N@H+](C)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000192915256 437696251 /nfs/dbraw/zinc/69/62/51/437696251.db2.gz NZAHKGLAHPTKAX-PHIMTYICSA-N 1 0 341.389 0.786 20 5 ECBDRO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc([N+](=O)[O-])cnc3N)[C@@H]2C1 ZINC000355374968 437702252 /nfs/dbraw/zinc/70/22/52/437702252.db2.gz XDUVSDNHKUODJB-OLZOCXBDSA-N 1 0 335.364 0.507 20 5 ECBDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3cc([N+](=O)[O-])nn3C)CC2)CCO1 ZINC000356452577 437766242 /nfs/dbraw/zinc/76/62/42/437766242.db2.gz YZDPYFXHVQDJFA-LLVKDONJSA-N 1 0 337.380 0.654 20 5 ECBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423586224 437768709 /nfs/dbraw/zinc/76/87/09/437768709.db2.gz YQJJUHNGDDRQCF-CYBMUJFWSA-N 1 0 334.376 0.545 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2CC[NH2+][C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000423606336 437773997 /nfs/dbraw/zinc/77/39/97/437773997.db2.gz KCOFPSOUTDTOFL-NWDGAFQWSA-N 1 0 334.376 0.842 20 5 ECBDRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000423604595 437774871 /nfs/dbraw/zinc/77/48/71/437774871.db2.gz IJGAWQCVTXQWCT-GFCCVEGCSA-N 1 0 334.376 0.416 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)ccc1[N+](=O)[O-] ZINC000423717925 437812771 /nfs/dbraw/zinc/81/27/71/437812771.db2.gz BITWYHPAJVTJLN-DZGCQCFKSA-N 1 0 346.387 0.843 20 5 ECBDRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423723676 437814036 /nfs/dbraw/zinc/81/40/36/437814036.db2.gz LWYYUGIMRSGYFO-NSHDSACASA-N 1 0 332.320 0.278 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000415605445 437830607 /nfs/dbraw/zinc/83/06/07/437830607.db2.gz CLULOINBQGTWOU-BXKDBHETSA-N 1 0 336.348 0.656 20 5 ECBDRO CN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@@H](C[NH3+])C1CC1 ZINC000423950867 437864895 /nfs/dbraw/zinc/86/48/95/437864895.db2.gz OMLBYMJSMCZCRS-AWEZNQCLSA-N 1 0 330.348 0.985 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC000348759256 438094365 /nfs/dbraw/zinc/09/43/65/438094365.db2.gz AFWIOZALZVYESV-LSDHHAIUSA-N 1 0 337.376 0.351 20 5 ECBDRO [NH3+]C[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000372223774 438052267 /nfs/dbraw/zinc/05/22/67/438052267.db2.gz UHKHSPWKZRHABA-QMMMGPOBSA-N 1 0 335.769 0.596 20 5 ECBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000366427694 438071231 /nfs/dbraw/zinc/07/12/31/438071231.db2.gz JCSMHOQWGHCBPU-UPJWGTAASA-N 1 0 337.380 0.501 20 5 ECBDRO C[C@H](O)COC(=O)CC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000366653650 438110455 /nfs/dbraw/zinc/11/04/55/438110455.db2.gz MTBVYNMGEFIWKE-RYUDHWBXSA-N 1 0 326.353 0.742 20 5 ECBDRO C[NH+]1CCC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000372839519 438114935 /nfs/dbraw/zinc/11/49/35/438114935.db2.gz SJSYGIKUNVDNSW-UHFFFAOYSA-N 1 0 334.376 0.843 20 5 ECBDRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418918859 438247215 /nfs/dbraw/zinc/24/72/15/438247215.db2.gz DQDYKWLWYCTFAF-LBPRGKRZSA-N 1 0 348.403 0.839 20 5 ECBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000418875484 438229807 /nfs/dbraw/zinc/22/98/07/438229807.db2.gz WVHOZJRJMKUUAV-IUODEOHRSA-N 1 0 348.403 0.982 20 5 ECBDRO COc1ccc(CNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000418954170 438263638 /nfs/dbraw/zinc/26/36/38/438263638.db2.gz XGBYWIYWOUOKOP-LLVKDONJSA-N 1 0 336.348 0.169 20 5 ECBDRO [NH3+][C@@H]1CC[C@H]2CN(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)C[C@@H]12 ZINC000351479262 438267077 /nfs/dbraw/zinc/26/70/77/438267077.db2.gz QXWZPUJKAKKNBW-HBNTYKKESA-N 1 0 348.359 0.931 20 5 ECBDRO C[N@@H+]1C[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H](c2ccccc2)C1 ZINC000351486280 438268945 /nfs/dbraw/zinc/26/89/45/438268945.db2.gz MSSZVDZHYNZIEB-OLZOCXBDSA-N 1 0 330.348 0.400 20 5 ECBDRO NC(=O)c1ccc(SCC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c([N+](=O)[O-])c1 ZINC000368160437 438294569 /nfs/dbraw/zinc/29/45/69/438294569.db2.gz GXAMCPXCOCLJFL-WOFXILAISA-N 1 0 336.373 0.120 20 5 ECBDRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000418920421 438249297 /nfs/dbraw/zinc/24/92/97/438249297.db2.gz HEVQTOCFKOIEHI-AWEZNQCLSA-N 1 0 348.403 0.841 20 5 ECBDRO CC[NH2+][C@@H](C)CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000358943219 438334529 /nfs/dbraw/zinc/33/45/29/438334529.db2.gz OEFXPFPSTITLPN-NSHDSACASA-N 1 0 337.380 0.508 20 5 ECBDRO C[C@@H](NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000419132253 438337633 /nfs/dbraw/zinc/33/76/33/438337633.db2.gz DTPPRPFDONDIDJ-LLVKDONJSA-N 1 0 334.376 0.982 20 5 ECBDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000378314693 438375850 /nfs/dbraw/zinc/37/58/50/438375850.db2.gz LDJZKJYBCUGFER-GRYCIOLGSA-N 1 0 337.380 0.937 20 5 ECBDRO CO[C@@H]1CCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)[C@@H](C[NH3+])C1 ZINC000359229410 438384302 /nfs/dbraw/zinc/38/43/02/438384302.db2.gz OTWUIMUJFNOIEW-CHWSQXEVSA-N 1 0 339.396 0.763 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352495574 438429442 /nfs/dbraw/zinc/42/94/42/438429442.db2.gz MUGZEMRRADUNPH-HNNXBMFYSA-N 1 0 347.419 0.821 20 5 ECBDRO C[NH2+][C@H]1CCN(S(=O)(=O)c2ccc(C(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000420406845 438407957 /nfs/dbraw/zinc/40/79/57/438407957.db2.gz SHVKTTAMBWJEBE-VIFPVBQESA-N 1 0 343.361 0.364 20 5 ECBDRO Cc1cc(C)c(S(=O)(=O)NC[C@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000420451848 438408378 /nfs/dbraw/zinc/40/83/78/438408378.db2.gz IGVLIZKFZSHQPU-GFCCVEGCSA-N 1 0 342.421 0.394 20 5 ECBDRO Cc1ccc(S(=O)(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)c([N+](=O)[O-])c1 ZINC000420473445 438411215 /nfs/dbraw/zinc/41/12/15/438411215.db2.gz GXGWAGVQGBDJMU-NWDGAFQWSA-N 1 0 327.362 0.265 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])n1 ZINC000407990421 438478894 /nfs/dbraw/zinc/47/88/94/438478894.db2.gz MXALONSJSGRISM-MNOVXSKESA-N 1 0 343.409 0.668 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H](c3ccncn3)C2)c1 ZINC000369783916 438514473 /nfs/dbraw/zinc/51/44/73/438514473.db2.gz XICGMQUCTBXBRP-JSGCOSHPSA-N 1 0 332.364 0.822 20 5 ECBDRO C[N@H+](CCNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000353847572 438544093 /nfs/dbraw/zinc/54/40/93/438544093.db2.gz QABVKXZRQHXMKG-UHFFFAOYSA-N 1 0 349.391 0.604 20 5 ECBDRO COCCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)C[NH3+])cc1OC ZINC000441612357 438588831 /nfs/dbraw/zinc/58/88/31/438588831.db2.gz OQIHKUBHIWWVIP-JTQLQIEISA-N 1 0 341.364 0.953 20 5 ECBDRO Cn1cc([C@H]2[C@@H](CNc3ncc([N+](=O)[O-])c(N)n3)CCC[N@@H+]2C)cn1 ZINC000370180376 438557212 /nfs/dbraw/zinc/55/72/12/438557212.db2.gz CCDUTXPUFQHXKF-ZWNOBZJWSA-N 1 0 346.395 0.617 20 5 ECBDRO C[C@H]1CC[NH2+]C[C@@H]1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422950015 438620087 /nfs/dbraw/zinc/62/00/87/438620087.db2.gz WZODHWYLOFDQBJ-FZMZJTMJSA-N 1 0 342.421 0.461 20 5 ECBDRO O=[N+]([O-])c1cnc(NCCCC[NH+]2CCN(CCO)CC2)s1 ZINC000443507306 438653054 /nfs/dbraw/zinc/65/30/54/438653054.db2.gz APKPDWKLIFUHJA-UHFFFAOYSA-N 1 0 329.426 0.853 20 5 ECBDRO CCCc1n[nH]c(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)c1[N+](=O)[O-] ZINC000452388698 438660328 /nfs/dbraw/zinc/66/03/28/438660328.db2.gz KDIAKCHIBOXDMZ-LLVKDONJSA-N 1 0 339.396 0.847 20 5 ECBDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccnc(N)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000548056365 438722219 /nfs/dbraw/zinc/72/22/19/438722219.db2.gz AHMMRBIRGSMCNM-PHIMTYICSA-N 1 0 337.380 0.801 20 5 ECBDRO COc1cc(CN(C)C[C@@H](O)C[NH3+])c([N+](=O)[O-])cc1OCC(F)F ZINC000415065996 438728743 /nfs/dbraw/zinc/72/87/43/438728743.db2.gz IGWGLXSKVATAJN-JTQLQIEISA-N 1 0 349.334 0.999 20 5 ECBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000548713362 438732410 /nfs/dbraw/zinc/73/24/10/438732410.db2.gz HVAVVXPXIMOSKM-NSHDSACASA-N 1 0 337.380 0.659 20 5 ECBDRO CNc1nc(C(=O)N(CCOC)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000455456982 438746222 /nfs/dbraw/zinc/74/62/22/438746222.db2.gz BMSJIRFARPDDLT-UHFFFAOYSA-N 1 0 325.369 0.682 20 5 ECBDRO COC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000497067456 438764167 /nfs/dbraw/zinc/76/41/67/438764167.db2.gz XYILDYIJOPBJKI-QMMMGPOBSA-N 1 0 346.365 0.646 20 5 ECBDRO C[C@H](CN1CCOCC1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000554862659 438769249 /nfs/dbraw/zinc/76/92/49/438769249.db2.gz KAQSMWOMEAIBEC-HIFRSBDPSA-N 1 0 339.392 0.645 20 5 ECBDRO COCC[N@H+](C)C[C@H](O)CN1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000576122085 438770445 /nfs/dbraw/zinc/77/04/45/438770445.db2.gz VWHJRQBFXQRBHT-AWEZNQCLSA-N 1 0 339.392 0.597 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000576123553 438770568 /nfs/dbraw/zinc/77/05/68/438770568.db2.gz PTDXXSFVUSTDAJ-GHMZBOCLSA-N 1 0 349.347 0.379 20 5 ECBDRO C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])C(=O)NCC[NH+](C)C ZINC000556903926 438794591 /nfs/dbraw/zinc/79/45/91/438794591.db2.gz GJJAKTQPLIMERE-LLVKDONJSA-N 1 0 338.364 0.156 20 5 ECBDRO O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1c[nH]nc1[N+](=O)[O-] ZINC000577205158 438824783 /nfs/dbraw/zinc/82/47/83/438824783.db2.gz HLRWMUHLZNIMHP-QWHCGFSZSA-N 1 0 345.359 0.683 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)c1 ZINC000595612535 438834931 /nfs/dbraw/zinc/83/49/31/438834931.db2.gz RBGZUDJLGDDLIZ-UKRRQHHQSA-N 1 0 347.375 0.948 20 5 ECBDRO CCCc1[nH]nc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000588861921 438846262 /nfs/dbraw/zinc/84/62/62/438846262.db2.gz YNWXNFAVEHXEEL-GHMZBOCLSA-N 1 0 337.380 0.552 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)N2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000564958151 438894442 /nfs/dbraw/zinc/89/44/42/438894442.db2.gz MUBSWRDBRDHVJA-UHFFFAOYSA-N 1 0 343.361 0.493 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000590045247 438899375 /nfs/dbraw/zinc/89/93/75/438899375.db2.gz OEUOIEUGGWZDJM-LNSITVRQSA-N 1 0 346.387 0.876 20 5 ECBDRO C[NH+]1CCC(N2CC[C@@H](Nc3nccc(C(N)=O)c3[N+](=O)[O-])C2)CC1 ZINC000589572732 438877626 /nfs/dbraw/zinc/87/76/26/438877626.db2.gz WSTMZDBAWFHTLQ-LLVKDONJSA-N 1 0 348.407 0.669 20 5 ECBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000565185513 438925037 /nfs/dbraw/zinc/92/50/37/438925037.db2.gz KJEJGJNHOOADTG-LLVKDONJSA-N 1 0 339.396 1.118 20 5 ECBDRO COC(=O)COc1ccc(CNCC23CC(C2)C[NH2+]3)cc1[N+](=O)[O-] ZINC000596101263 438925877 /nfs/dbraw/zinc/92/58/77/438925877.db2.gz DREFKIQFVWILQN-UHFFFAOYSA-N 1 0 335.360 0.988 20 5 ECBDRO CC(C)[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](O)C(F)(F)F ZINC000578470166 438927130 /nfs/dbraw/zinc/92/71/30/438927130.db2.gz RHRBONGBTZTPCM-DCAQKATOSA-N 1 0 340.302 0.690 20 5 ECBDRO CN1CC[NH+](CC2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000590561822 438932940 /nfs/dbraw/zinc/93/29/40/438932940.db2.gz HSQVVVABXZKWLQ-UHFFFAOYSA-N 1 0 332.404 0.843 20 5 ECBDRO Nc1ccc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)nc1[N+](=O)[O-] ZINC000590573621 438935236 /nfs/dbraw/zinc/93/52/36/438935236.db2.gz WRSCDVAERRMWQO-CQSZACIVSA-N 1 0 343.387 1.403 20 5 ECBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000590586444 438936206 /nfs/dbraw/zinc/93/62/06/438936206.db2.gz OAJCDQXCOCXQLX-STQMWFEESA-N 1 0 343.405 0.507 20 5 ECBDRO C[N@H+]1CC=C(CNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596184419 438938735 /nfs/dbraw/zinc/93/87/35/438938735.db2.gz GYQZYMJNXXMBMV-UHFFFAOYSA-N 1 0 326.378 0.916 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1OC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000517239820 438956184 /nfs/dbraw/zinc/95/61/84/438956184.db2.gz UKHUJUYHYMQEKF-ZDUSSCGKSA-N 1 0 325.365 0.591 20 5 ECBDRO CCn1c(C)nc([N+](=O)[O-])c1N(CC[NH+](C)C)CC(=O)N(C)C ZINC000596460822 438966731 /nfs/dbraw/zinc/96/67/31/438966731.db2.gz BQLSYOZWKAMBFM-UHFFFAOYSA-N 1 0 326.401 0.576 20 5 ECBDRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)C1=O ZINC000518247099 438991009 /nfs/dbraw/zinc/99/10/09/438991009.db2.gz LTAPTBUDFPGHBX-ZDUSSCGKSA-N 1 0 335.364 0.348 20 5 ECBDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)C1=O ZINC000518247098 438991959 /nfs/dbraw/zinc/99/19/59/438991959.db2.gz LTAPTBUDFPGHBX-CYBMUJFWSA-N 1 0 335.364 0.348 20 5 ECBDRO COc1ccc(CNC(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000591346356 439005939 /nfs/dbraw/zinc/00/59/39/439005939.db2.gz YLQUTUGKMQDYSC-IINYFYTJSA-N 1 0 338.364 0.861 20 5 ECBDRO CCCN1C[C@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O ZINC000566119271 439008396 /nfs/dbraw/zinc/00/83/96/439008396.db2.gz WKFNLZZSLAPOPD-AAEUAGOBSA-N 1 0 325.369 0.000 20 5 ECBDRO O=C(N[C@@H]1CCC[NH2+]CC1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000591360323 439009117 /nfs/dbraw/zinc/00/91/17/439009117.db2.gz KWBKLEHWNPKGST-CYBMUJFWSA-N 1 0 348.407 0.964 20 5 ECBDRO CC1(C)C[NH2+]CCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000591678170 439061032 /nfs/dbraw/zinc/06/10/32/439061032.db2.gz LPSQMHLMKLVNTF-UHFFFAOYSA-N 1 0 330.348 1.000 20 5 ECBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000591425678 439012792 /nfs/dbraw/zinc/01/27/92/439012792.db2.gz DMURQWLVNKOSAK-ZDUSSCGKSA-N 1 0 333.392 0.946 20 5 ECBDRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000591578170 439022947 /nfs/dbraw/zinc/02/29/47/439022947.db2.gz JGUZQNXRAIRISS-LBPRGKRZSA-N 1 0 332.360 0.300 20 5 ECBDRO COc1ccc(CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000566236408 439029951 /nfs/dbraw/zinc/02/99/51/439029951.db2.gz DHINOJQMCRIXIL-VHSXEESVSA-N 1 0 338.364 0.462 20 5 ECBDRO CN(C)c1ncc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)n1C ZINC000566791961 439088090 /nfs/dbraw/zinc/08/80/90/439088090.db2.gz HLKAXDHSOMXDLN-AWEZNQCLSA-N 1 0 349.391 0.924 20 5 ECBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000602527258 439104513 /nfs/dbraw/zinc/10/45/13/439104513.db2.gz NMDXDZRUNMBUEK-UHFFFAOYSA-N 1 0 347.375 0.378 20 5 ECBDRO C[C@@H]([NH3+])C[C@H](C)NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000520229140 439074052 /nfs/dbraw/zinc/07/40/52/439074052.db2.gz BZGFTKFDWJLKPB-BDAKNGLRSA-N 1 0 345.377 0.770 20 5 ECBDRO O=C1C[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000581126441 439172511 /nfs/dbraw/zinc/17/25/11/439172511.db2.gz LVBVIGILGVEBTL-BXUZGUMPSA-N 1 0 335.360 0.687 20 5 ECBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCN3CC[C@@H](O)C3)CC2)cn1 ZINC000602724250 439126620 /nfs/dbraw/zinc/12/66/20/439126620.db2.gz LZXKVRBGAZELNL-OAHLLOKOSA-N 1 0 335.408 0.615 20 5 ECBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCN3CC[C@H](O)C3)CC2)cn1 ZINC000602729989 439130058 /nfs/dbraw/zinc/13/00/58/439130058.db2.gz LZXKVRBGAZELNL-HNNXBMFYSA-N 1 0 335.408 0.615 20 5 ECBDRO COC(=O)CC[N@@H+]1CCN(CCn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602803274 439138067 /nfs/dbraw/zinc/13/80/67/439138067.db2.gz BKGXTJYVPWJMGI-LBPRGKRZSA-N 1 0 339.396 0.669 20 5 ECBDRO C[NH+](C)C[C@H](CO)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000597654243 439149757 /nfs/dbraw/zinc/14/97/57/439149757.db2.gz QRDPEWWDLWHFAR-LLVKDONJSA-N 1 0 348.359 0.561 20 5 ECBDRO CCc1n[nH]c(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000597694804 439160780 /nfs/dbraw/zinc/16/07/80/439160780.db2.gz NXOBYQGAMUGCFA-RYUDHWBXSA-N 1 0 337.380 0.816 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1nnc2n1CCC2 ZINC000567679360 439163167 /nfs/dbraw/zinc/16/31/67/439163167.db2.gz UJXATAJVYAHZOM-LBPRGKRZSA-N 1 0 347.375 0.705 20 5 ECBDRO COC(=O)[C@@]1(C)C[C@@H](OC)CN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602937577 439165032 /nfs/dbraw/zinc/16/50/32/439165032.db2.gz SOHDTZUZVVRJQT-BXUZGUMPSA-N 1 0 326.353 0.752 20 5 ECBDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000597942706 439202599 /nfs/dbraw/zinc/20/25/99/439202599.db2.gz LRDDZMFVTGGSAN-NSHDSACASA-N 1 0 326.401 0.330 20 5 ECBDRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000592373527 439212716 /nfs/dbraw/zinc/21/27/16/439212716.db2.gz VBALDRPAXMFYJH-SNVBAGLBSA-N 1 0 329.378 0.976 20 5 ECBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000592374019 439213806 /nfs/dbraw/zinc/21/38/06/439213806.db2.gz GVANABFBKAKELM-DGCLKSJQSA-N 1 0 343.405 0.948 20 5 ECBDRO O=[N+]([O-])c1ccc(Cn2cc(CCN3CC[NH2+]CC3)nn2)c(F)c1 ZINC000603223172 439213853 /nfs/dbraw/zinc/21/38/53/439213853.db2.gz DNQCMNQNBWHXOQ-UHFFFAOYSA-N 1 0 334.355 0.821 20 5 ECBDRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000592375738 439213958 /nfs/dbraw/zinc/21/39/58/439213958.db2.gz WRSRFCPUJZUPDT-GXFFZTMASA-N 1 0 329.378 0.473 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH2+]CC1(C)C ZINC000592472682 439236419 /nfs/dbraw/zinc/23/64/19/439236419.db2.gz ZKZKZMXQUGZIRI-NSHDSACASA-N 1 0 334.376 0.924 20 5 ECBDRO COC[C@H]1C[C@@H](O)C[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000593066411 439336501 /nfs/dbraw/zinc/33/65/01/439336501.db2.gz CPLUGDNJBSBCOO-MGPQQGTHSA-N 1 0 326.349 0.416 20 5 ECBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000592879496 439296870 /nfs/dbraw/zinc/29/68/70/439296870.db2.gz MFDGMSFADALXQK-JTQLQIEISA-N 1 0 338.339 0.926 20 5 ECBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598665245 439300741 /nfs/dbraw/zinc/30/07/41/439300741.db2.gz NTWXDTNQBYIRTP-QWRGUYRKSA-N 1 0 335.364 0.912 20 5 ECBDRO C[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000604199878 439301946 /nfs/dbraw/zinc/30/19/46/439301946.db2.gz VMYGOSMGNPSWQO-NSHDSACASA-N 1 0 348.359 0.531 20 5 ECBDRO O=[N+]([O-])c1cnn(CC[NH2+]CCS(=O)(=O)c2ccc(F)cc2)c1 ZINC000582661123 439362834 /nfs/dbraw/zinc/36/28/34/439362834.db2.gz QOPVJPCYSBPFIV-UHFFFAOYSA-N 1 0 342.352 0.994 20 5 ECBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3ncnc(N4CCOCC4)c3[N+](=O)[O-])C[C@H]21 ZINC000599084771 439352967 /nfs/dbraw/zinc/35/29/67/439352967.db2.gz XRPISFOQQHATRN-GDNZZTSVSA-N 1 0 334.380 0.218 20 5 ECBDRO CNS(=O)(=O)c1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c([N+](=O)[O-])c1 ZINC000599084271 439353429 /nfs/dbraw/zinc/35/34/29/439353429.db2.gz QTVDMMLMLANIRW-YABSGUDNSA-N 1 0 340.405 0.499 20 5 ECBDRO Cc1cc(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)ccc1[N+](=O)[O-] ZINC000593234815 439355491 /nfs/dbraw/zinc/35/54/91/439355491.db2.gz KVLAOSXPEXWQER-UHFFFAOYSA-N 1 0 334.376 0.749 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C[NH3+])C2CCCCC2)n1 ZINC000599096959 439355880 /nfs/dbraw/zinc/35/58/80/439355880.db2.gz COMICLRXNJKWEK-SNVBAGLBSA-N 1 0 331.398 0.514 20 5 ECBDRO C[NH2+]CCOCCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000599106688 439357870 /nfs/dbraw/zinc/35/78/70/439357870.db2.gz HHESOHYQIUOIGV-UHFFFAOYSA-N 1 0 331.394 0.760 20 5 ECBDRO COC[C@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OC ZINC000582721310 439372354 /nfs/dbraw/zinc/37/23/54/439372354.db2.gz ATSQMLASPAUSMS-LBPRGKRZSA-N 1 0 332.378 0.620 20 5 ECBDRO O=C(NC1CC1)c1ccc(NCC[N@H+]2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000599200146 439378905 /nfs/dbraw/zinc/37/89/05/439378905.db2.gz YCWZZSKSMNIXHA-ZDUSSCGKSA-N 1 0 334.376 0.966 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)nc1 ZINC000593531232 439393882 /nfs/dbraw/zinc/39/38/82/439393882.db2.gz PKVMKJMACIHDLM-RYUDHWBXSA-N 1 0 326.378 0.895 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)n1 ZINC000599296383 439423931 /nfs/dbraw/zinc/42/39/31/439423931.db2.gz QPQXQVNTPCTSQM-SNVBAGLBSA-N 1 0 331.398 0.433 20 5 ECBDRO CCOC(=O)C[C@@H](O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000599325822 439433563 /nfs/dbraw/zinc/43/35/63/439433563.db2.gz MJOTYEFKKCROBL-WCQYABFASA-N 1 0 338.364 0.790 20 5 ECBDRO [NH3+][C@H]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CCN2C1=O ZINC000583511174 439475011 /nfs/dbraw/zinc/47/50/11/439475011.db2.gz RZFVBTOAMOHLOP-SKDRFNHKSA-N 1 0 338.751 0.632 20 5 ECBDRO COc1ccc(OCCN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000594027970 439508940 /nfs/dbraw/zinc/50/89/40/439508940.db2.gz WXBSWYXPWYSHKU-QWHCGFSZSA-N 1 0 337.376 0.733 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000594023512 439509703 /nfs/dbraw/zinc/50/97/03/439509703.db2.gz MMGNKDCOEUOSAJ-RRFJBIMHSA-N 1 0 337.376 0.085 20 5 ECBDRO O=C(CCC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000594387063 439551847 /nfs/dbraw/zinc/55/18/47/439551847.db2.gz QZCKPSNVZRFYII-LSDHHAIUSA-N 1 0 347.371 0.835 20 5 ECBDRO [NH3+]C[C@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C(F)(F)F ZINC000594450718 439562431 /nfs/dbraw/zinc/56/24/31/439562431.db2.gz VFHIRLLYSRGFMT-JTQLQIEISA-N 1 0 344.253 0.795 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000599894978 439570534 /nfs/dbraw/zinc/57/05/34/439570534.db2.gz AMTBCJFYSSYMHF-VHSXEESVSA-N 1 0 336.348 0.799 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000594533186 439572905 /nfs/dbraw/zinc/57/29/05/439572905.db2.gz IXJDRGIQFBWVRF-SECBINFHSA-N 1 0 334.254 0.848 20 5 ECBDRO [NH3+]C1(CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000599924916 439574873 /nfs/dbraw/zinc/57/48/73/439574873.db2.gz QTWXZAGIFKDQKE-UHFFFAOYSA-N 1 0 338.364 0.781 20 5 ECBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000599938753 439580435 /nfs/dbraw/zinc/58/04/35/439580435.db2.gz PTIYKSRNPVAXJR-WCQYABFASA-N 1 0 334.380 0.572 20 5 ECBDRO C[N@@H+]1CC[C@@H](C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000610126017 439599501 /nfs/dbraw/zinc/59/95/01/439599501.db2.gz KJFAMWLWPUQXRM-CQSZACIVSA-N 1 0 346.387 0.831 20 5 ECBDRO C[C@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+](C)C ZINC000493086200 439601683 /nfs/dbraw/zinc/60/16/83/439601683.db2.gz DQQBFULINYNJKH-PWWFUAJNSA-N 1 0 334.376 0.791 20 5 ECBDRO C[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+](C)C ZINC000493086201 439602084 /nfs/dbraw/zinc/60/20/84/439602084.db2.gz DQQBFULINYNJKH-UVMWJGKXSA-N 1 0 334.376 0.791 20 5 ECBDRO CN(C)c1ncc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])n1C ZINC000584586278 439603095 /nfs/dbraw/zinc/60/30/95/439603095.db2.gz SFSFQHZWGNZKMC-CYBMUJFWSA-N 1 0 349.391 0.924 20 5 ECBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594761362 439603648 /nfs/dbraw/zinc/60/36/48/439603648.db2.gz XIINUXWWRYCGQO-WDEREUQCSA-N 1 0 328.394 0.951 20 5 ECBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000610296341 439609203 /nfs/dbraw/zinc/60/92/03/439609203.db2.gz AQDQPIDNSXYGAP-AWEZNQCLSA-N 1 0 344.375 0.919 20 5 ECBDRO CN(C)C(=O)c1cccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000610335830 439610571 /nfs/dbraw/zinc/61/05/71/439610571.db2.gz VRVPXFYMSCQPLE-OAHLLOKOSA-N 1 0 347.375 0.644 20 5 ECBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC([NH+]2CCOCC2)CC1 ZINC000600106300 439614097 /nfs/dbraw/zinc/61/40/97/439614097.db2.gz XAFNOJOHRNDIQC-UHFFFAOYSA-N 1 0 337.380 0.505 20 5 ECBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000610767819 439645480 /nfs/dbraw/zinc/64/54/80/439645480.db2.gz LKIJKJVTUVSJGZ-ZDUSSCGKSA-N 1 0 337.380 0.551 20 5 ECBDRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H]1C[NH3+] ZINC000595109858 439655033 /nfs/dbraw/zinc/65/50/33/439655033.db2.gz WEYADPBZWNBXKD-VWYCJHECSA-N 1 0 328.394 0.984 20 5 ECBDRO Nc1cc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc(CO)c1[N+](=O)[O-] ZINC000587862281 439669672 /nfs/dbraw/zinc/66/96/72/439669672.db2.gz VGSWCTPXLQOQIS-CABCVRRESA-N 1 0 336.392 0.705 20 5 ECBDRO Cn1nccc1N1CCC[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000573834589 439670283 /nfs/dbraw/zinc/67/02/83/439670283.db2.gz BJLBQCNYNZUJSN-OCCSQVGLSA-N 1 0 349.395 0.144 20 5 ECBDRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])C1 ZINC000595357026 439713116 /nfs/dbraw/zinc/71/31/16/439713116.db2.gz WOGWSSCVUJILJP-JTQLQIEISA-N 1 0 331.398 0.574 20 5 ECBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCC[N@H+]1CC[C@@H](O)C1 ZINC000600534278 439674797 /nfs/dbraw/zinc/67/47/97/439674797.db2.gz MQWSKIOUZSDDSU-CQSZACIVSA-N 1 0 332.360 0.732 20 5 ECBDRO C[C@H](NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000595264394 439684930 /nfs/dbraw/zinc/68/49/30/439684930.db2.gz XGAQMDCBMAJOBE-GDLCADMTSA-N 1 0 347.375 0.609 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000600668846 439687043 /nfs/dbraw/zinc/68/70/43/439687043.db2.gz DJQLSGGHFGSNEK-YABSGUDNSA-N 1 0 341.389 0.784 20 5 ECBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCC1CS(=O)(=O)C1)OCCO2 ZINC000615728132 439805470 /nfs/dbraw/zinc/80/54/70/439805470.db2.gz BDVAZSLUFRHWAF-UHFFFAOYSA-N 1 0 342.373 0.890 20 5 ECBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000618923032 440177794 /nfs/dbraw/zinc/17/77/94/440177794.db2.gz BEPVIZVXQOFEOQ-MRXNPFEDSA-N 1 0 337.376 0.889 20 5 ECBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000273388472 320561714 /nfs/dbraw/zinc/56/17/14/320561714.db2.gz HQHJPQPUPRPVQL-AEGPPILISA-N 1 0 346.387 0.910 20 5 ECBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289163998 320662864 /nfs/dbraw/zinc/66/28/64/320662864.db2.gz HEBNDSDJNLVZBE-GFCCVEGCSA-N 1 0 349.347 0.623 20 5 ECBDRO C[C@@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000342960960 321113776 /nfs/dbraw/zinc/11/37/76/321113776.db2.gz OROBFRBUNQXNEF-LLVKDONJSA-N 1 0 336.392 0.975 20 5 ECBDRO C[NH+](C)CCc1ccc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000346116280 321215301 /nfs/dbraw/zinc/21/53/01/321215301.db2.gz DSRBUZZFPQUQSK-UHFFFAOYSA-N 1 0 332.364 0.607 20 5 ECBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[N@H+](C)CC ZINC000346140453 321215647 /nfs/dbraw/zinc/21/56/47/321215647.db2.gz XWZYZDMXZWHJAO-NSHDSACASA-N 1 0 326.401 0.895 20 5 ECBDRO Cc1cc(S(=O)(=O)NCCOCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000347187799 321233190 /nfs/dbraw/zinc/23/31/90/321233190.db2.gz YDJDYFFIYKNXNW-UHFFFAOYSA-N 1 0 331.394 0.760 20 5 ECBDRO CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N[C@@H](C)C[NH3+] ZINC000347643544 321247227 /nfs/dbraw/zinc/24/72/27/321247227.db2.gz AQSIEDQTXNTOBA-DTWKUNHWSA-N 1 0 344.393 0.503 20 5 ECBDRO Cc1ccc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)cc1[N+](=O)[O-] ZINC000347864900 321256270 /nfs/dbraw/zinc/25/62/70/321256270.db2.gz OBGHDWHCVYBTJC-UHFFFAOYSA-N 1 0 343.343 0.887 20 5 ECBDRO C[C@H](CC[NH3+])NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000349949895 321319636 /nfs/dbraw/zinc/31/96/36/321319636.db2.gz IVEOXZOGMLYHQG-SNVBAGLBSA-N 1 0 344.393 0.117 20 5 ECBDRO COc1cc(C[N@H+](C)C[C@@H](O)CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000352540569 321363393 /nfs/dbraw/zinc/36/33/93/321363393.db2.gz MTMHAPJWIRTPNZ-CQSZACIVSA-N 1 0 339.392 0.728 20 5 ECBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000354000199 321430998 /nfs/dbraw/zinc/43/09/98/321430998.db2.gz BEKZIUXQENUKKL-CYBMUJFWSA-N 1 0 349.391 0.899 20 5 ECBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531887554 322047401 /nfs/dbraw/zinc/04/74/01/322047401.db2.gz HEXRWRXNDZRVOV-CQSZACIVSA-N 1 0 349.391 0.662 20 5 ECBDRO C[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C(=O)NCC[NH+](C)C ZINC000560567195 322247278 /nfs/dbraw/zinc/24/72/78/322247278.db2.gz ZZYLBBZASBHYOK-SNVBAGLBSA-N 1 0 347.375 0.872 20 5 ECBDRO Cc1nc2n(n1)C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000560871481 322251040 /nfs/dbraw/zinc/25/10/40/322251040.db2.gz AWBNTFKSEXRQML-OCCSQVGLSA-N 1 0 347.375 0.839 20 5 ECBDRO CN1CC[NH2+]C[C@H]1CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000563115129 322299104 /nfs/dbraw/zinc/29/91/04/322299104.db2.gz LUXALSYHFYJECA-NSHDSACASA-N 1 0 345.359 0.482 20 5 ECBDRO CN1CCCC(C)(C)[C@@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000564076387 322359963 /nfs/dbraw/zinc/35/99/63/322359963.db2.gz LXVFXJCREORDOT-KBPBESRZSA-N 1 0 325.413 0.862 20 5 ECBDRO C[C@H](CN1CCOCC1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564118497 322363155 /nfs/dbraw/zinc/36/31/55/322363155.db2.gz IZOZVOKCYODOAM-KGLIPLIRSA-N 1 0 339.392 0.645 20 5 ECBDRO COC(=O)c1cc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)oc1C ZINC000566107251 322502060 /nfs/dbraw/zinc/50/20/60/322502060.db2.gz HUPYBIGVWOPMGY-LLVKDONJSA-N 1 0 338.320 0.630 20 5 ECBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000567521142 322586599 /nfs/dbraw/zinc/58/65/99/322586599.db2.gz RJWAWHQWKCIYIP-CMPLNLGQSA-N 1 0 348.359 0.438 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCC1(O)CCOCC1 ZINC000569232680 322647579 /nfs/dbraw/zinc/64/75/79/322647579.db2.gz IFFPYLBKGRPJDT-ZDUSSCGKSA-N 1 0 340.376 0.856 20 5 ECBDRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000570148217 322677216 /nfs/dbraw/zinc/67/72/16/322677216.db2.gz RCQYKKJKGQFROP-ZDUSSCGKSA-N 1 0 334.376 0.579 20 5 ECBDRO COc1ccc(CNC(=O)c2cn(CCCC[NH3+])nn2)cc1[N+](=O)[O-] ZINC000577218720 322828819 /nfs/dbraw/zinc/82/88/19/322828819.db2.gz HUECXNSFKVSFMJ-UHFFFAOYSA-N 1 0 348.363 0.864 20 5 ECBDRO CCCc1n[nH]c(C(=O)N2CCN(CC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000155116088 528544515 /nfs/dbraw/zinc/54/45/15/528544515.db2.gz NLKADLRLOPBTAK-UHFFFAOYSA-N 1 0 338.412 0.590 20 5 ECBDRO CCn1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H]2C)c([N+](=O)[O-])n1 ZINC000780864791 578701375 /nfs/dbraw/zinc/70/13/75/578701375.db2.gz AVXZUXBWUONVLJ-JTQLQIEISA-N 1 0 331.398 0.574 20 5 ECBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000788472729 578837994 /nfs/dbraw/zinc/83/79/94/578837994.db2.gz RWNITTDYHFIFFY-HNNXBMFYSA-N 1 0 347.375 0.925 20 5 ECBDRO CC1(C2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)OCCO1 ZINC000760901295 579517050 /nfs/dbraw/zinc/51/70/50/579517050.db2.gz QNMNMPXIHFMDGL-CQSZACIVSA-N 1 0 340.380 0.627 20 5 ECBDRO C[C@@H]1CN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1[NH3+] ZINC000842474647 589031971 /nfs/dbraw/zinc/03/19/71/589031971.db2.gz BTGRTZXSCOWEQM-CZUORRHYSA-N 1 0 347.419 0.522 20 5 ECBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000895273998 586173407 /nfs/dbraw/zinc/17/34/07/586173407.db2.gz FEQFEFDYRGHNKL-GFCCVEGCSA-N 1 0 330.348 0.924 20 5 ECBDRO Cn1ncc([N+](=O)[O-])c1NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000894186046 586378461 /nfs/dbraw/zinc/37/84/61/586378461.db2.gz STXMAAMHRDPASV-UHFFFAOYSA-N 1 0 338.412 0.537 20 5 ECBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC2(OCCO)CCOCC2)cc1 ZINC000843103290 589050851 /nfs/dbraw/zinc/05/08/51/589050851.db2.gz KTCBAYJHYBHYNT-OAHLLOKOSA-N 1 0 340.376 0.776 20 5 ECBDRO C[N@H+](CCO)CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000899737821 586504859 /nfs/dbraw/zinc/50/48/59/586504859.db2.gz OSGYOSGOBDAIGF-UHFFFAOYSA-N 1 0 333.747 0.970 20 5 ECBDRO [NH3+][C@@H]1CCCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000843345520 589062667 /nfs/dbraw/zinc/06/26/67/589062667.db2.gz SSCBZUVTPMVOKL-CQSZACIVSA-N 1 0 347.419 0.667 20 5 ECBDRO COc1cc([C@H](C)[NH2+]C[C@]2(CO)COCCN2C)cc([N+](=O)[O-])c1 ZINC000903224384 586772715 /nfs/dbraw/zinc/77/27/15/586772715.db2.gz VJMUCMIFELDGAL-LRDDRELGSA-N 1 0 339.392 0.947 20 5 ECBDRO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839720175 586890017 /nfs/dbraw/zinc/89/00/17/586890017.db2.gz ICSBCPIHVQUEJK-LVQVYYBASA-N 1 0 333.388 0.651 20 5 ECBDRO C[NH+](C)C[C@@H](CO)NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000808174709 587147572 /nfs/dbraw/zinc/14/75/72/587147572.db2.gz OHKKAOZOUGAMIB-IINYFYTJSA-N 1 0 336.348 0.127 20 5 ECBDRO COc1cc(S(=O)(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000813742054 587261410 /nfs/dbraw/zinc/26/14/10/587261410.db2.gz XXWXSSVCRRTWQX-MFKMUULPSA-N 1 0 341.389 0.928 20 5 ECBDRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000817993600 587395564 /nfs/dbraw/zinc/39/55/64/587395564.db2.gz NGADRCUPRFPDBV-GFCCVEGCSA-N 1 0 349.391 0.049 20 5 ECBDRO C[NH2+][C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 ZINC000818557404 587438294 /nfs/dbraw/zinc/43/82/94/587438294.db2.gz YEJKXINKHOMJPO-LBPRGKRZSA-N 1 0 334.376 0.865 20 5 ECBDRO CC[S@@](=O)CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000819047099 587465814 /nfs/dbraw/zinc/46/58/14/587465814.db2.gz IPJUILBATWWABF-HXUWFJFHSA-N 1 0 334.419 0.727 20 5 ECBDRO Cc1ncc2c(n1)CCC[C@H]2[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000819078320 587466926 /nfs/dbraw/zinc/46/69/26/587466926.db2.gz IVDXKAVMDUCIIC-GXTWGEPZSA-N 1 0 332.364 0.918 20 5 ECBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000820262026 587521862 /nfs/dbraw/zinc/52/18/62/587521862.db2.gz QQXCZBFEJJSQCK-JTQLQIEISA-N 1 0 347.383 0.218 20 5 ECBDRO CC[N@H+](C)C[C@@H]1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821164538 587576198 /nfs/dbraw/zinc/57/61/98/587576198.db2.gz GUCAJZQDUQDSCA-JTQLQIEISA-N 1 0 332.368 0.948 20 5 ECBDRO C[N@@H+]1CCO[C@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)C[C@H]21 ZINC000821629068 587609644 /nfs/dbraw/zinc/60/96/44/587609644.db2.gz XVDWLLWSUVPUHB-OLZOCXBDSA-N 1 0 331.336 0.294 20 5 ECBDRO C[NH+](C)C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)CCO1 ZINC000825858949 587967063 /nfs/dbraw/zinc/96/70/63/587967063.db2.gz BGXUESNQBSTRRX-LLVKDONJSA-N 1 0 333.352 0.542 20 5 ECBDRO O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000830553947 588375872 /nfs/dbraw/zinc/37/58/72/588375872.db2.gz MYHMUEMUGZBFFC-CQSZACIVSA-N 1 0 349.303 0.677 20 5 ECBDRO COC(=O)Cc1ccccc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000848679529 589306484 /nfs/dbraw/zinc/30/64/84/589306484.db2.gz WKRUSWSEWQXEPS-OAHLLOKOSA-N 1 0 348.359 0.658 20 5 ECBDRO C[NH+](C)C[C@@H](CO)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000854466146 589587808 /nfs/dbraw/zinc/58/78/08/589587808.db2.gz XAFZTVFYRYWLMQ-VIFPVBQESA-N 1 0 333.747 0.969 20 5 ECBDRO CN1CC[NH+](CC2CN(C(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000854644093 589597967 /nfs/dbraw/zinc/59/79/67/589597967.db2.gz DYZNRTKWLPPVJO-INIZCTEOSA-N 1 0 348.403 0.334 20 5 ECBDRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000855695921 589642143 /nfs/dbraw/zinc/64/21/43/589642143.db2.gz WWPVCNCHXGMNFA-UHFFFAOYSA-N 1 0 337.380 0.269 20 5 ECBDRO C[NH+](C)C1CC(NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000857229214 589690091 /nfs/dbraw/zinc/69/00/91/589690091.db2.gz MPRICAQALPFPCL-UHFFFAOYSA-N 1 0 341.389 0.821 20 5 ECBDRO [NH3+]C[C@@H]1CN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CCO1 ZINC000857766153 589704123 /nfs/dbraw/zinc/70/41/23/589704123.db2.gz KNANBMAZADANQS-LLVKDONJSA-N 1 0 331.275 0.753 20 5 ECBDRO C[NH+]1CCN(CCCS(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000866374349 589736524 /nfs/dbraw/zinc/73/65/24/589736524.db2.gz GXALCRYZCUTETL-UHFFFAOYSA-N 1 0 343.405 0.941 20 5 ECBDRO COc1cc(S(=O)(=O)NC2(C[NH3+])CCOCC2)ccc1[N+](=O)[O-] ZINC000858630051 589761946 /nfs/dbraw/zinc/76/19/46/589761946.db2.gz IVCHVXBNQCMDOT-UHFFFAOYSA-N 1 0 345.377 0.390 20 5 ECBDRO CNc1c(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000861714159 589878368 /nfs/dbraw/zinc/87/83/68/589878368.db2.gz IOWANYUGDOTNRV-RYUDHWBXSA-N 1 0 334.376 0.918 20 5 ECBDRO Cc1ccc(CNC(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000868236259 589883458 /nfs/dbraw/zinc/88/34/58/589883458.db2.gz POCGTNMCMLYLFY-AWEZNQCLSA-N 1 0 335.408 0.948 20 5 ECBDRO CN1Cc2ccccc2[C@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000872235241 590106939 /nfs/dbraw/zinc/10/69/39/590106939.db2.gz DXPGPBNDTFOTME-GDBMZVCRSA-N 1 0 331.376 0.929 20 5 ECBDRO C[C@@]1(C(F)(F)F)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000879504596 590316442 /nfs/dbraw/zinc/31/64/42/590316442.db2.gz IWKOSKMRMUYRNA-QWRGUYRKSA-N 1 0 338.286 0.805 20 5 ECBDRO Cn1cnnc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589411 611356344 /nfs/dbraw/zinc/35/63/44/611356344.db2.gz XWUBQXOHRXKOLM-XJFOESAGSA-N 1 0 348.407 0.151 20 5 ECBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@@H+](Cc3cnon3)C[C@H]2CC1 ZINC000946589392 611356439 /nfs/dbraw/zinc/35/64/39/611356439.db2.gz WWACRDAQSFJKHC-ZMJPVWNMSA-N 1 0 335.364 0.405 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@@H+](C)[C@@H](CO)C1 ZINC000931405177 611537086 /nfs/dbraw/zinc/53/70/86/611537086.db2.gz HCQMPSHEASKPOD-CQSZACIVSA-N 1 0 336.392 0.840 20 5 ECBDRO C[NH+](C)C1(C(=O)N2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CCC1 ZINC000947069421 611557746 /nfs/dbraw/zinc/55/77/46/611557746.db2.gz RLHVTEHUQAOAQK-CHWSQXEVSA-N 1 0 338.408 0.243 20 5 ECBDRO Cc1c(NC(=O)[C@@H](C)N2CCNCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000923463880 611247069 /nfs/dbraw/zinc/24/70/69/611247069.db2.gz HWSFKATXRVNSCX-CYBMUJFWSA-N 1 0 335.408 0.725 20 5 ECBDRO N=C(Nc1ncnc(N2CCOCC2)c1[N+](=O)[O-])SCC[NH3+] ZINC001167912942 736192484 /nfs/dbraw/zinc/19/24/84/736192484.db2.gz IJQLLVIKBXYGMK-UHFFFAOYSA-N 1 0 327.370 0.260 20 5 ECBDRO O=C(N[C@@H]1[C@H]2C[N@H+](CCOc3ccccc3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025777770 739935604 /nfs/dbraw/zinc/93/56/04/739935604.db2.gz OGRVIRNSFMHBBI-LJIZCISZSA-N 1 0 331.372 0.777 20 5 ECBDRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025776127 739944768 /nfs/dbraw/zinc/94/47/68/739944768.db2.gz ZMTRDTGLUCNLNS-LJIZCISZSA-N 1 0 331.372 0.391 20 5 ECBDRO Cc1nn(C)cc1C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001001400959 746341794 /nfs/dbraw/zinc/34/17/94/746341794.db2.gz WGSOFIIIKYPDIS-HUUCEWRRSA-N 1 0 335.408 0.722 20 5 ECBDRO O=C(NCC1CC[NH+](CCN2CCCC2=O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001401132 746342446 /nfs/dbraw/zinc/34/24/46/746342446.db2.gz ZLYOCUGHGVVGMW-ZIAGYGMSSA-N 1 0 338.408 0.102 20 5 ECBDRO O=C(NC1CC[NH+](CCn2cc(Cl)cn2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002789099 747789112 /nfs/dbraw/zinc/78/91/12/747789112.db2.gz SCOBPEMCKFZIQP-CHWSQXEVSA-N 1 0 341.799 0.782 20 5 ECBDRO CN(CCCN(C)c1ncc([N+](=O)[O-])c(N)n1)C(=O)Cc1cnc[nH]1 ZINC001112184247 747956898 /nfs/dbraw/zinc/95/68/98/747956898.db2.gz YRYVMIPRFCHDLO-UHFFFAOYSA-N 1 0 348.367 0.218 20 5 ECBDRO Cc1cc(C[N@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1C ZINC000985426543 747982041 /nfs/dbraw/zinc/98/20/41/747982041.db2.gz SDRRGRCTVSPPPN-HUUCEWRRSA-N 1 0 335.408 0.817 20 5 ECBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](CCc3ccns3)C[C@@H]2C1 ZINC001048812913 757075324 /nfs/dbraw/zinc/07/53/24/757075324.db2.gz UEXZVZXCHBHQSE-ZMJPVWNMSA-N 1 0 336.417 0.741 20 5 ECBDRO CCc1ccccc1NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126949781 757227966 /nfs/dbraw/zinc/22/79/66/757227966.db2.gz ZKUMTJRGWUCHAG-TZMCWYRMSA-N 1 0 334.376 0.559 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)c2ccnc(F)c2)C1 ZINC001021888046 758018054 /nfs/dbraw/zinc/01/80/54/758018054.db2.gz VLZSSENEAOOLSB-PHIMTYICSA-N 1 0 348.338 0.913 20 5 ECBDRO C[NH+](C)CCOCC(=O)NC/C=C\CNc1ccc([N+](=O)[O-])cn1 ZINC001107271951 758128372 /nfs/dbraw/zinc/12/83/72/758128372.db2.gz CAGKVLSHHMWOTK-ARJAWSKDSA-N 1 0 337.380 0.652 20 5 ECBDRO Cn1c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nnc1C1CCC1 ZINC001022063441 758226010 /nfs/dbraw/zinc/22/60/10/758226010.db2.gz BNAIUQQNRXMWIE-YVECIDJPSA-N 1 0 348.407 0.485 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)c2ccncn2)C1 ZINC001022870323 759222396 /nfs/dbraw/zinc/22/23/96/759222396.db2.gz SZUPQNRFZLVVKH-AOOOYVTPSA-N 1 0 331.336 0.169 20 5 ECBDRO NC(=O)C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001050360562 760180994 /nfs/dbraw/zinc/18/09/94/760180994.db2.gz OOWYSFKMNRABON-AULYBMBSSA-N 1 0 334.376 0.845 20 5 ECBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1cncn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048525580 760662464 /nfs/dbraw/zinc/66/24/64/760662464.db2.gz YJNUAAUOKLSVMP-XLWJZTARSA-N 1 0 348.407 0.303 20 5 ECBDRO Cn1cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)cn1 ZINC001048525182 760662838 /nfs/dbraw/zinc/66/28/38/760662838.db2.gz OHVDEWSXNPJRLG-DPZJBDQQSA-N 1 0 347.419 0.945 20 5 ECBDRO NC(=O)CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001048732722 761067162 /nfs/dbraw/zinc/06/71/62/761067162.db2.gz MCLWWBALLHFXID-BETUJISGSA-N 1 0 332.360 0.360 20 5 ECBDRO Cc1noc(C)c1C(=O)N[C@H]1C[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001019981207 772053038 /nfs/dbraw/zinc/05/30/38/772053038.db2.gz YIQHZIKUXFNNNH-XYPYZODXSA-N 1 0 348.363 0.984 20 5 ECBDRO CCCn1c(C)nnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020139140 772205316 /nfs/dbraw/zinc/20/53/16/772205316.db2.gz SJBABRDQQIOCLP-FDYHWXHSSA-N 1 0 336.396 0.399 20 5 ECBDRO Nc1nc(NC2CCN(C(=O)Cc3cnc[nH]3)CC2)ncc1[N+](=O)[O-] ZINC001057433538 772611205 /nfs/dbraw/zinc/61/12/05/772611205.db2.gz MSHINPRAXBYFKP-UHFFFAOYSA-N 1 0 346.351 0.336 20 5 ECBDRO CCC[N@H+](C)CC(=O)N1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001073176748 789571519 /nfs/dbraw/zinc/57/15/19/789571519.db2.gz SYCUXILIOLOVNG-CHWSQXEVSA-N 1 0 340.424 0.491 20 5 ECBDRO CCC[N@H+](C)CCC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001067388868 793075346 /nfs/dbraw/zinc/07/53/46/793075346.db2.gz NGDLCBKUWXEDMA-ZIAGYGMSSA-N 1 0 342.440 0.690 20 5 ECBDRO Cc1nnc(CC(=O)NCCN(C)Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC001267194533 836959065 /nfs/dbraw/zinc/95/90/65/836959065.db2.gz RRHWJQHKDPGZKL-UHFFFAOYSA-N 1 0 332.364 0.812 20 5 ECBDRO CCCN(CCNC(=O)c1ccncn1)Cc1c([N+](=O)[O-])ncn1C ZINC001267319257 837196626 /nfs/dbraw/zinc/19/66/26/837196626.db2.gz ZSCVDOOWVIPRPP-UHFFFAOYSA-N 1 0 347.379 0.760 20 5 ECBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)/C=C\c1ccc[nH]1 ZINC001267365792 837259626 /nfs/dbraw/zinc/25/96/26/837259626.db2.gz LUJWPQRZWUDXAQ-WAYWQWQTSA-N 1 0 332.364 0.918 20 5 ECBDRO C[NH+](C)CC(=O)N1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000051763597 214104166 /nfs/dbraw/zinc/10/41/66/214104166.db2.gz MLCWHVFUAFXRJE-UHFFFAOYSA-N 1 0 336.392 0.679 20 5 ECBDRO CS(=O)(=O)c1cc(C(=O)N2CCC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000428465822 210262978 /nfs/dbraw/zinc/26/29/78/210262978.db2.gz UIIJTISHJOXOFR-UHFFFAOYSA-N 1 0 327.362 0.434 20 5 ECBDRO C[NH2+][C@H]1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000428415318 210259472 /nfs/dbraw/zinc/25/94/72/210259472.db2.gz ZSKBAEKSHOYUIN-LBPRGKRZSA-N 1 0 335.364 0.214 20 5 ECBDRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000354703395 299101128 /nfs/dbraw/zinc/10/11/28/299101128.db2.gz YZZWNGOULJAQAC-LBPRGKRZSA-N 1 0 332.360 0.742 20 5 ECBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1COc2ccccc2O1 ZINC000174710818 529961933 /nfs/dbraw/zinc/96/19/33/529961933.db2.gz HIZTWFJEBZLBDS-UONOGXRCSA-N 1 0 348.359 0.924 20 5 ECBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000354948789 299169117 /nfs/dbraw/zinc/16/91/17/299169117.db2.gz JEDRTKLOVINVFF-LBPRGKRZSA-N 1 0 334.376 0.877 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCCC[C@@H]1n1cc(CO)nn1 ZINC000355310987 299236908 /nfs/dbraw/zinc/23/69/08/299236908.db2.gz JKMNDYYPLWFOOI-NEPJUHHUSA-N 1 0 335.368 0.686 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)NC[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000420418497 209363409 /nfs/dbraw/zinc/36/34/09/209363409.db2.gz IFCSUFKTWZCWBV-MRVPVSSYSA-N 1 0 331.350 0.255 20 5 ECBDRO [NH3+]C[C@@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000420411429 209362600 /nfs/dbraw/zinc/36/26/00/209362600.db2.gz ATWHUTNSBMAPMI-CYBMUJFWSA-N 1 0 329.378 0.127 20 5 ECBDRO COc1ccc(NC(=O)CCN(CC[NH3+])CCO)c([N+](=O)[O-])c1 ZINC000420309123 209350430 /nfs/dbraw/zinc/35/04/30/209350430.db2.gz OGVZWOQCIBGHKT-UHFFFAOYSA-N 1 0 326.353 0.185 20 5 ECBDRO [NH3+][C@@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000132312690 223319518 /nfs/dbraw/zinc/31/95/18/223319518.db2.gz QHNSDCXYIBHPDK-NXEZZACHSA-N 1 0 338.389 0.821 20 5 ECBDRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000419884069 209237367 /nfs/dbraw/zinc/23/73/67/209237367.db2.gz NNFPGJYKCVQTHE-LBPRGKRZSA-N 1 0 332.360 0.564 20 5 ECBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419857502 209228132 /nfs/dbraw/zinc/22/81/32/209228132.db2.gz GJFSFUVPERHBHC-CQSZACIVSA-N 1 0 334.376 0.449 20 5 ECBDRO COc1c(F)cc(S(=O)(=O)N2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000193225031 240065942 /nfs/dbraw/zinc/06/59/42/240065942.db2.gz FWKHRPOVQNFAHJ-MRVPVSSYSA-N 1 0 333.341 0.854 20 5 ECBDRO Cc1ccc(C)c(S(=O)(=O)NCCN2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000193237821 240072343 /nfs/dbraw/zinc/07/23/43/240072343.db2.gz KGJBKCIIIPSJQJ-UHFFFAOYSA-N 1 0 342.421 0.395 20 5 ECBDRO COc1cc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000193409394 240153878 /nfs/dbraw/zinc/15/38/78/240153878.db2.gz AOFXGOZJMJTJCI-KOLCDFICSA-N 1 0 329.378 0.880 20 5 ECBDRO [NH3+]CCCCNC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000419837715 209219805 /nfs/dbraw/zinc/21/98/05/209219805.db2.gz DIYXFUAMPDLJKN-UHFFFAOYSA-N 1 0 349.391 0.099 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000419762709 209200388 /nfs/dbraw/zinc/20/03/88/209200388.db2.gz SOWZEVCEYFGHDB-MFKMUULPSA-N 1 0 334.376 0.634 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000419759587 209198294 /nfs/dbraw/zinc/19/82/94/209198294.db2.gz MKCZYTMWDJCKIB-BXUZGUMPSA-N 1 0 348.403 0.963 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H](C[NH3+])C1 ZINC000237190792 242519922 /nfs/dbraw/zinc/51/99/22/242519922.db2.gz ATHBFLCVNBJNLK-SNVBAGLBSA-N 1 0 329.378 0.963 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000237205761 242529830 /nfs/dbraw/zinc/52/98/30/242529830.db2.gz TYGHXPBTFHKBJA-SNVBAGLBSA-N 1 0 329.378 0.881 20 5 ECBDRO COCC[NH2+]CCNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000262658602 245104757 /nfs/dbraw/zinc/10/47/57/245104757.db2.gz MIEGLFAGTIENLV-LLVKDONJSA-N 1 0 338.364 0.065 20 5 ECBDRO C[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)[N@H+](C)Cc1ccccc1 ZINC000110350341 220030772 /nfs/dbraw/zinc/03/07/72/220030772.db2.gz SYZTUZOUIZLBRM-LBPRGKRZSA-N 1 0 332.364 0.823 20 5 ECBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000356730741 299433994 /nfs/dbraw/zinc/43/39/94/299433994.db2.gz OAVTTYKAQSMWIS-UHFFFAOYSA-N 1 0 348.363 0.594 20 5 ECBDRO NS(=O)(=O)C[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000265212358 247303723 /nfs/dbraw/zinc/30/37/23/247303723.db2.gz LWZIRGRTWIEHMY-LBPRGKRZSA-N 1 0 343.405 0.974 20 5 ECBDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000451587589 211398198 /nfs/dbraw/zinc/39/81/98/211398198.db2.gz MMCBINLLMYSHEH-UPJWGTAASA-N 1 0 326.353 0.474 20 5 ECBDRO Cc1c(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000449738230 211295410 /nfs/dbraw/zinc/29/54/10/211295410.db2.gz ADZABCNWZLHKMT-RISCZKNCSA-N 1 0 342.359 0.918 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000449609249 211287087 /nfs/dbraw/zinc/28/70/87/211287087.db2.gz BATQGEIZOGNRGL-GZMMTYOYSA-N 1 0 344.318 0.812 20 5 ECBDRO COCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](C)C(N)=O ZINC000411254021 208078330 /nfs/dbraw/zinc/07/83/30/208078330.db2.gz HRGDNICBMIRLNQ-LLVKDONJSA-N 1 0 338.364 0.746 20 5 ECBDRO CN(C)C(=O)[C@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000411959599 208178792 /nfs/dbraw/zinc/17/87/92/208178792.db2.gz VUAWRVSUEVVFSP-ZDUSSCGKSA-N 1 0 346.387 0.894 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCNC2CC[NH2+]CC2)cc1 ZINC000415083645 208453059 /nfs/dbraw/zinc/45/30/59/208453059.db2.gz QDVLRZSPPYWCQP-UHFFFAOYSA-N 1 0 328.394 0.215 20 5 ECBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000415537775 208539632 /nfs/dbraw/zinc/53/96/32/208539632.db2.gz PXKWMLIBNLIMDT-NSHDSACASA-N 1 0 336.348 0.786 20 5 ECBDRO C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000418784640 208848648 /nfs/dbraw/zinc/84/86/48/208848648.db2.gz PWPTWNFAEKWLIP-GRYCIOLGSA-N 1 0 334.376 0.981 20 5 ECBDRO CN(CC[NH3+])C(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000418809164 208856105 /nfs/dbraw/zinc/85/61/05/208856105.db2.gz MRPZCFVEEQLKLY-UHFFFAOYSA-N 1 0 328.756 0.324 20 5 ECBDRO COC(=O)N1CC([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000496679946 255120708 /nfs/dbraw/zinc/12/07/08/255120708.db2.gz UQFIYJCXCUUQGX-LLVKDONJSA-N 1 0 325.321 0.375 20 5 ECBDRO Cc1c(C(=O)NC(C)(C)C[NH3+])cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000269179630 255540606 /nfs/dbraw/zinc/54/06/06/255540606.db2.gz OIUOJYFPBZVTQM-UHFFFAOYSA-N 1 0 330.366 0.018 20 5 ECBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)N2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000419271634 209047215 /nfs/dbraw/zinc/04/72/15/209047215.db2.gz OQYCAPJOQWXQOI-VXGBXAGGSA-N 1 0 334.376 0.888 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000119067877 221236741 /nfs/dbraw/zinc/23/67/41/221236741.db2.gz FGYNASMQJSQZLW-NXEZZACHSA-N 1 0 329.378 0.974 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccnc(OCC[NH+](C)C)c2)n1 ZINC000357937010 299655772 /nfs/dbraw/zinc/65/57/72/299655772.db2.gz RNCNPHHUTAOYBG-UHFFFAOYSA-N 1 0 334.336 0.916 20 5 ECBDRO C[NH+]1CCN(c2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cn2)CC1 ZINC000159478975 296711479 /nfs/dbraw/zinc/71/14/79/296711479.db2.gz FOEHKAFELITYRQ-UHFFFAOYSA-N 1 0 331.336 0.717 20 5 ECBDRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])n3C)C2)CC1 ZINC000359060586 299807941 /nfs/dbraw/zinc/80/79/41/299807941.db2.gz IHLJTWWRDQHUOT-ZDUSSCGKSA-N 1 0 335.408 0.785 20 5 ECBDRO COCCOC[C@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000174117101 164867432 /nfs/dbraw/zinc/86/74/32/164867432.db2.gz GVBKDXHJAPWAFF-JSGCOSHPSA-N 1 0 328.369 0.137 20 5 ECBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CN1c2cc([N+](=O)[O-])ccc2OCC1=O ZINC000261663400 165222855 /nfs/dbraw/zinc/22/28/55/165222855.db2.gz GJKXIRGTDJRHNS-MNOVXSKESA-N 1 0 348.359 0.516 20 5 ECBDRO C[C@]1(C[NH3+])CCN(C(=O)CN2c3cc([N+](=O)[O-])ccc3OCC2=O)C1 ZINC000261740403 165234889 /nfs/dbraw/zinc/23/48/89/165234889.db2.gz DHXWZPRUBUFFSV-MRXNPFEDSA-N 1 0 348.359 0.518 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000261804110 165244977 /nfs/dbraw/zinc/24/49/77/165244977.db2.gz FYJLTXLBRJOAPU-GHMZBOCLSA-N 1 0 341.389 0.833 20 5 ECBDRO COC[C@@]1(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CCC[NH2+]1 ZINC000262297991 165326397 /nfs/dbraw/zinc/32/63/97/165326397.db2.gz NPFMLTXLXNTCKY-AWEZNQCLSA-N 1 0 343.405 0.950 20 5 ECBDRO COC[C@]1(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000262357392 165336647 /nfs/dbraw/zinc/33/66/47/165336647.db2.gz VEPYFQDLURRYLP-CQSZACIVSA-N 1 0 343.405 0.783 20 5 ECBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC[C@@H]1CCC[NH2+]1 ZINC000262530674 165358947 /nfs/dbraw/zinc/35/89/47/165358947.db2.gz GNGYIQWKQQDINS-JTQLQIEISA-N 1 0 334.332 0.188 20 5 ECBDRO C[C@H](C[NH3+])N(C)C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262595987 165366462 /nfs/dbraw/zinc/36/64/62/165366462.db2.gz IWOCOLAFMGOLQJ-SNVBAGLBSA-N 1 0 344.393 0.069 20 5 ECBDRO 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348.363 0.267 20 5 ECBDRO CNc1ccc(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000577508592 438849264 /nfs/dbraw/zinc/84/92/64/438849264.db2.gz KEIBZPBEAVNJBS-GHMZBOCLSA-N 1 0 333.348 0.021 20 5 ECBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCC12CC(C1)C[NH2+]2 ZINC000595952014 438898709 /nfs/dbraw/zinc/89/87/09/438898709.db2.gz VOFORIRKCPOFQL-UHFFFAOYSA-N 1 0 332.360 0.583 20 5 ECBDRO [NH3+]CC12CC(C1)CN2C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000595943452 438892433 /nfs/dbraw/zinc/89/24/33/438892433.db2.gz OUSRTOZRTNHOOM-UHFFFAOYSA-N 1 0 346.343 0.270 20 5 ECBDRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000590400489 438918172 /nfs/dbraw/zinc/91/81/72/438918172.db2.gz VBWHXFMEKWKCMO-AAEUAGOBSA-N 1 0 336.348 0.631 20 5 ECBDRO CC[N@@H+]1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000596173497 438936961 /nfs/dbraw/zinc/93/69/61/438936961.db2.gz VSXGLUGQCCGZCH-JTQLQIEISA-N 1 0 328.394 0.773 20 5 ECBDRO O=[N+]([O-])c1cc2c(cc1CN1CCC([NH2+]CCO)CC1)OCCO2 ZINC000602019580 438997996 /nfs/dbraw/zinc/99/79/96/438997996.db2.gz HDMQBCYPCHGTMA-UHFFFAOYSA-N 1 0 337.376 0.912 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591304781 439000655 /nfs/dbraw/zinc/00/06/55/439000655.db2.gz OSTFVFKPYYFYFX-GXFFZTMASA-N 1 0 348.359 0.752 20 5 ECBDRO C[C@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)[NH+](C)C ZINC000602064338 439005050 /nfs/dbraw/zinc/00/50/50/439005050.db2.gz ZTQHONXRIWCXLT-SNVBAGLBSA-N 1 0 340.405 0.891 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccnc(-n3cccn3)c2)c1 ZINC000566106668 439007714 /nfs/dbraw/zinc/00/77/14/439007714.db2.gz WSXSHKUZQUCAGJ-AWEZNQCLSA-N 1 0 343.347 0.523 20 5 ECBDRO C[C@@H]1CC[N@H+](CCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000519576501 439043453 /nfs/dbraw/zinc/04/34/53/439043453.db2.gz UZAPZWBGAYIRSA-GFCCVEGCSA-N 1 0 334.376 0.783 20 5 ECBDRO COc1ccc(CNC(=O)c2cn(CCC[NH3+])nn2)cc1[N+](=O)[O-] ZINC000591668760 439054671 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331.394 0.753 20 5 ECBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593235511 439355815 /nfs/dbraw/zinc/35/58/15/439355815.db2.gz VANIOHASXOWOFN-UHFFFAOYSA-N 1 0 335.364 0.144 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)n1 ZINC000599249039 439400358 /nfs/dbraw/zinc/40/03/58/439400358.db2.gz RVAHZSUQRGAWKF-NSHDSACASA-N 1 0 349.438 0.044 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)n1 ZINC000599263815 439406337 /nfs/dbraw/zinc/40/63/37/439406337.db2.gz RTIUCWKJGGJTSC-QWRGUYRKSA-N 1 0 343.409 0.433 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CC[S@@](=O)C2)cc1 ZINC000583020076 439409765 /nfs/dbraw/zinc/40/97/65/439409765.db2.gz VYQTYHCHQMYBBA-WVDJIFEKSA-N 1 0 332.403 0.479 20 5 ECBDRO CN(C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)[C@@H](C[NH3+])C1CC1 ZINC000583024277 439411161 /nfs/dbraw/zinc/41/11/61/439411161.db2.gz SYLDCACXEKBGSC-ZDUSSCGKSA-N 1 0 341.389 0.808 20 5 ECBDRO CCO[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1C[NH3+] ZINC000593730563 439455559 /nfs/dbraw/zinc/45/55/59/439455559.db2.gz LBQZKTFHGCSARQ-RKDXNWHRSA-N 1 0 335.407 0.641 20 5 ECBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599314250 439427600 /nfs/dbraw/zinc/42/76/00/439427600.db2.gz FZXFHUNALQOSSV-QWRGUYRKSA-N 1 0 343.409 0.576 20 5 ECBDRO O=C(NC[C@@H]1CCC[NH2+]1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000583193848 439432607 /nfs/dbraw/zinc/43/26/07/439432607.db2.gz XXVAAUCYDMXKBY-LBPRGKRZSA-N 1 0 334.380 0.573 20 5 ECBDRO C[NH+](C)CCN1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1=O ZINC000593784342 439466523 /nfs/dbraw/zinc/46/65/23/439466523.db2.gz NRCZRWKWZCEBIZ-UHFFFAOYSA-N 1 0 349.391 0.239 20 5 ECBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[NH2+]CCCO1 ZINC000571029956 439467806 /nfs/dbraw/zinc/46/78/06/439467806.db2.gz CRXARHRQQXIJND-AWEZNQCLSA-N 1 0 338.364 0.651 20 5 ECBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000599531171 439498659 /nfs/dbraw/zinc/49/86/59/439498659.db2.gz LLUOIHMODJAVFS-STQMWFEESA-N 1 0 337.376 0.764 20 5 ECBDRO COc1cc(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000594025130 439508657 /nfs/dbraw/zinc/50/86/57/439508657.db2.gz AJKSDUYJZOJPLH-NWDGAFQWSA-N 1 0 325.340 0.993 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])c([N+](=O)[O-])n1 ZINC000593730915 439456647 /nfs/dbraw/zinc/45/66/47/439456647.db2.gz NMPYKOFYAYUTOB-MNOVXSKESA-N 1 0 345.425 0.949 20 5 ECBDRO Nc1nccc(C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000594315979 439540437 /nfs/dbraw/zinc/54/04/37/439540437.db2.gz VJJJAWZQJMVWSZ-GFCCVEGCSA-N 1 0 349.391 0.899 20 5 ECBDRO Cn1nc2c(c1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CCCC2 ZINC000584049088 439543102 /nfs/dbraw/zinc/54/31/02/439543102.db2.gz YDPDQRYFKRRCAU-LBPRGKRZSA-N 1 0 334.380 0.554 20 5 ECBDRO Cc1cc(OCC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000594386996 439552947 /nfs/dbraw/zinc/55/29/47/439552947.db2.gz 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[NH3+][C@@H]1C[C@@H]2CN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CCN2C1=O ZINC000594694431 439591598 /nfs/dbraw/zinc/59/15/98/439591598.db2.gz PZVOXKVQWIURQX-NXEZZACHSA-N 1 0 342.302 0.944 20 5 ECBDRO NS(=O)(=O)c1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)s1 ZINC000610447487 439617212 /nfs/dbraw/zinc/61/72/12/439617212.db2.gz HIADKMLCACRYMO-UHFFFAOYSA-N 1 0 331.379 0.290 20 5 ECBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000600271911 439632279 /nfs/dbraw/zinc/63/22/79/439632279.db2.gz ITXYIGCAMFVUDI-SNVBAGLBSA-N 1 0 342.377 0.066 20 5 ECBDRO O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CCC[NH2+]CC1 ZINC000573322538 439639791 /nfs/dbraw/zinc/63/97/91/439639791.db2.gz JUISMGOBKOPBAI-UHFFFAOYSA-N 1 0 334.376 0.867 20 5 ECBDRO CNC(=O)C(C)(C)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000573479475 439648397 /nfs/dbraw/zinc/64/83/97/439648397.db2.gz XXMRDQMNMGIMFR-GFCCVEGCSA-N 1 0 325.365 0.696 20 5 ECBDRO CC1([NH+]2CCOCC2)CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000600408853 439653736 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O=C1C[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CN1c1ccccc1 ZINC000562987465 322291177 /nfs/dbraw/zinc/29/11/77/322291177.db2.gz RKCSMWZCTXSBQU-IUODEOHRSA-N 1 0 345.359 0.547 20 5 ECBDRO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000563888279 322351488 /nfs/dbraw/zinc/35/14/88/322351488.db2.gz HYLINHZPCQERSL-OAHLLOKOSA-N 1 0 342.355 0.841 20 5 ECBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@H](O)CN2CCOCC2)cc1 ZINC000564856754 322400636 /nfs/dbraw/zinc/40/06/36/322400636.db2.gz OCWFNXLJQAIHMT-AWEZNQCLSA-N 1 0 325.365 0.256 20 5 ECBDRO O=C1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000565887410 322484477 /nfs/dbraw/zinc/48/44/77/322484477.db2.gz OMFXJQHBHAVHRE-WCQYABFASA-N 1 0 335.360 0.687 20 5 ECBDRO C[C@@H](CCC[NH3+])NC(=O)CN1c2cc([N+](=O)[O-])ccc2OCC1=O ZINC000567848491 322601475 /nfs/dbraw/zinc/60/14/75/322601475.db2.gz GOQPOCVXILESIJ-JTQLQIEISA-N 1 0 336.348 0.564 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H](CO)[C@H]2CCCOC2)c1 ZINC000570279866 322682365 /nfs/dbraw/zinc/68/23/65/322682365.db2.gz PDWJBMODOUDAQT-JGGQBBKZSA-N 1 0 340.376 0.712 20 5 ECBDRO O=C(CCc1cccc([N+](=O)[O-])c1)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000570630600 322694015 /nfs/dbraw/zinc/69/40/15/322694015.db2.gz FRUVFMXULZWUGK-UHFFFAOYSA-N 1 0 345.363 0.694 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H](CO)[C@@H]2CCOC2)c1 ZINC000570842963 322701939 /nfs/dbraw/zinc/70/19/39/322701939.db2.gz JRZHULHWLUEMGQ-UMVBOHGHSA-N 1 0 340.376 0.569 20 5 ECBDRO CCOc1ccc(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000571179038 322713169 /nfs/dbraw/zinc/71/31/69/322713169.db2.gz FWPUJBRVKDHODW-NEPJUHHUSA-N 1 0 348.359 0.378 20 5 ECBDRO COc1cc(C(=O)NC[C@H]2C[NH2+]CCCO2)cc([N+](=O)[O-])c1OC ZINC000572761017 322750839 /nfs/dbraw/zinc/75/08/39/322750839.db2.gz ORBGIFRNTNMCID-LLVKDONJSA-N 1 0 339.348 0.720 20 5 ECBDRO CC(C)([NH3+])c1noc(Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)n1 ZINC000572958075 322753825 /nfs/dbraw/zinc/75/38/25/322753825.db2.gz FWXDDEWBZSIKST-UHFFFAOYSA-N 1 0 330.304 0.930 20 5 ECBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[NH2+]CCO2)cc1OC ZINC000574392646 322778377 /nfs/dbraw/zinc/77/83/77/322778377.db2.gz DPYUOXNSLSFCEM-JTQLQIEISA-N 1 0 339.348 0.720 20 5 ECBDRO O=C(NCCC[NH2+]C1CC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000575853693 322797053 /nfs/dbraw/zinc/79/70/53/322797053.db2.gz OPOAOMWNDUVBPA-UHFFFAOYSA-N 1 0 348.407 0.964 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)N(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000576822922 322816917 /nfs/dbraw/zinc/81/69/17/322816917.db2.gz QHTMZQBZMOUIDE-UHFFFAOYSA-N 1 0 331.350 0.351 20 5 ECBDRO CCCN(C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000579334002 322893097 /nfs/dbraw/zinc/89/30/97/322893097.db2.gz XNALPWLAIUJVIO-AWEZNQCLSA-N 1 0 334.376 0.812 20 5 ECBDRO CS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000579831607 322907808 /nfs/dbraw/zinc/90/78/08/322907808.db2.gz BZJGERJSKHAVGN-MWLCHTKSSA-N 1 0 341.389 0.856 20 5 ECBDRO CC[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@@H+]1C[C@@H](C)O ZINC000174593702 529271073 /nfs/dbraw/zinc/27/10/73/529271073.db2.gz HQBGIVWQFMQFPW-NEPJUHHUSA-N 1 0 325.369 0.095 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000619493300 546334088 /nfs/dbraw/zinc/33/40/88/546334088.db2.gz VLPJIBAHZRBCBB-ZDUSSCGKSA-N 1 0 347.393 0.194 20 5 ECBDRO CCS(=O)(=O)N(C)CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749678418 579341024 /nfs/dbraw/zinc/34/10/24/579341024.db2.gz RUBSSXBJPIXTPM-AWEZNQCLSA-N 1 0 345.421 0.889 20 5 ECBDRO COCCN(CC[NH+](C)C)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000729431063 578295654 /nfs/dbraw/zinc/29/56/54/578295654.db2.gz FOUNYBWSTCEVNK-UHFFFAOYSA-N 1 0 349.391 0.981 20 5 ECBDRO COC(=O)COc1ccc(C[NH2+]CC[S@](C)=O)cc1[N+](=O)[O-] ZINC000788962893 578846182 /nfs/dbraw/zinc/84/61/82/578846182.db2.gz KURSZKDAUPJWDL-QFIPXVFZSA-N 1 0 330.362 0.615 20 5 ECBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000779547273 579317270 /nfs/dbraw/zinc/31/72/70/579317270.db2.gz NZTJEXFIPIHJFB-AWEZNQCLSA-N 1 0 340.336 0.936 20 5 ECBDRO C[C@H]1C[C@H](O)C[N@@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000761104184 579521849 /nfs/dbraw/zinc/52/18/49/579521849.db2.gz CHAUSEQHXGYKKO-BBRMVZONSA-N 1 0 348.403 0.699 20 5 ECBDRO C[N@@H+]1CC[C@](O)(CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000762720760 579547048 /nfs/dbraw/zinc/54/70/48/579547048.db2.gz ZNEPNLOWLUIRCT-ZDUSSCGKSA-N 1 0 329.303 0.869 20 5 ECBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000742254303 579784565 /nfs/dbraw/zinc/78/45/65/579784565.db2.gz JBEHKUREVPBFOS-CVEARBPZSA-N 1 0 348.403 0.990 20 5 ECBDRO COCC[NH2+]CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841202177 588981910 /nfs/dbraw/zinc/98/19/10/588981910.db2.gz CAOOFBKXDFPSGG-UHFFFAOYSA-N 1 0 344.755 0.539 20 5 ECBDRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000842744374 589034821 /nfs/dbraw/zinc/03/48/21/589034821.db2.gz RGVZMZVJHNWQFW-KWQFWETISA-N 1 0 349.796 0.985 20 5 ECBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896279948 586232117 /nfs/dbraw/zinc/23/21/17/586232117.db2.gz DBJUYKKGRYHFMJ-CQSZACIVSA-N 1 0 335.360 0.811 20 5 ECBDRO C[C@@H](C[NH3+])NS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 ZINC000842783298 589036342 /nfs/dbraw/zinc/03/63/42/589036342.db2.gz BNTOOMQHEMNJCB-QMMMGPOBSA-N 1 0 344.349 0.177 20 5 ECBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@H](C)C[NH3+])c(C)c1[N+](=O)[O-] ZINC000842787353 589036638 /nfs/dbraw/zinc/03/66/38/589036638.db2.gz NBIQXMFTDDMVTP-SSDOTTSWSA-N 1 0 346.365 0.993 20 5 ECBDRO COc1cc(C(=O)N2CCN(C)CC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000888992469 586333732 /nfs/dbraw/zinc/33/37/32/586333732.db2.gz MPFYKAMUAREKAM-UHFFFAOYSA-N 1 0 336.392 0.923 20 5 ECBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C12CCC2 ZINC000898834782 586454203 /nfs/dbraw/zinc/45/42/03/586454203.db2.gz IPRGBXIRYRPVDG-UONOGXRCSA-N 1 0 334.376 0.746 20 5 ECBDRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000900221408 586532998 /nfs/dbraw/zinc/53/29/98/586532998.db2.gz PIPZIANFHOXJKK-DOTOQJQBSA-N 1 0 348.403 0.699 20 5 ECBDRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000900221410 586533142 /nfs/dbraw/zinc/53/31/42/586533142.db2.gz PIPZIANFHOXJKK-RDJZCZTQSA-N 1 0 348.403 0.699 20 5 ECBDRO C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000900803935 586664799 /nfs/dbraw/zinc/66/47/99/586664799.db2.gz LGWHPVBDYPTAAU-WFASDCNBSA-N 1 0 335.408 0.757 20 5 ECBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000843356861 589063463 /nfs/dbraw/zinc/06/34/63/589063463.db2.gz FHKSBLAAEDSAOO-TVQRCGJNSA-N 1 0 338.320 1.000 20 5 ECBDRO COC[C@@H]1C[NH2+]CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000903882807 586823296 /nfs/dbraw/zinc/82/32/96/586823296.db2.gz PXNRLIFZCWCQLN-UONOGXRCSA-N 1 0 325.365 0.255 20 5 ECBDRO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839720177 586889973 /nfs/dbraw/zinc/88/99/73/586889973.db2.gz ICSBCPIHVQUEJK-ZJIFWQFVSA-N 1 0 333.388 0.651 20 5 ECBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCCN2CCCS2(=O)=O)c1 ZINC000818997737 587463787 /nfs/dbraw/zinc/46/37/87/587463787.db2.gz KBLJNRLPKYAIDP-CQSZACIVSA-N 1 0 343.405 0.643 20 5 ECBDRO CC(C)S(=O)(=O)CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000819317189 587476628 /nfs/dbraw/zinc/47/66/28/587476628.db2.gz PJOBTFUIYGPMCL-LBPRGKRZSA-N 1 0 346.405 0.747 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCS(=O)(=O)C2CC2)c1 ZINC000819369610 587477462 /nfs/dbraw/zinc/47/74/62/587477462.db2.gz LUIZMQKXNTXCNR-LBPRGKRZSA-N 1 0 344.389 0.501 20 5 ECBDRO O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000840452503 587581424 /nfs/dbraw/zinc/58/14/24/587581424.db2.gz ICBGXZUCEMFARK-DZGCQCFKSA-N 1 0 337.376 0.591 20 5 ECBDRO COCCC[N@H+](C)CCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821687983 587622062 /nfs/dbraw/zinc/62/20/62/587622062.db2.gz YJHOCTUDTPKPBF-UHFFFAOYSA-N 1 0 336.356 0.550 20 5 ECBDRO Cc1nc([N+](=O)[O-])c(-c2noc(-c3cn(CCCC[NH3+])nn3)n2)n1C ZINC000823094990 587701937 /nfs/dbraw/zinc/70/19/37/587701937.db2.gz WQISSQYDBSRCHQ-UHFFFAOYSA-N 1 0 347.339 0.684 20 5 ECBDRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000829257541 588319904 /nfs/dbraw/zinc/31/99/04/588319904.db2.gz KRBYGRKELNHJBO-UHFFFAOYSA-N 1 0 337.380 0.513 20 5 ECBDRO C[N@@H+]1CC[C@@H](CN2C(=O)c3ccc([N+](=O)[O-])cc3S2(=O)=O)C1 ZINC000830078325 588359452 /nfs/dbraw/zinc/35/94/52/588359452.db2.gz BWZUFMIYTDOROI-SECBINFHSA-N 1 0 325.346 0.691 20 5 ECBDRO C[NH2+]CCCOc1c([N+](=O)[O-])cc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000830342831 588369045 /nfs/dbraw/zinc/36/90/45/588369045.db2.gz CVIQRCYIMKOMDS-UHFFFAOYSA-N 1 0 333.322 0.895 20 5 ECBDRO C[NH+](C)CCN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC1=O ZINC000844761473 589119880 /nfs/dbraw/zinc/11/98/80/589119880.db2.gz KHPZYZUBIVCYCP-UHFFFAOYSA-N 1 0 338.339 0.580 20 5 ECBDRO COC(=O)Cc1ccc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000848765780 589309956 /nfs/dbraw/zinc/30/99/56/589309956.db2.gz GWCKOXFNOMYOGC-QWHCGFSZSA-N 1 0 335.360 0.566 20 5 ECBDRO COC(=O)N(C)CC[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000852569151 589500856 /nfs/dbraw/zinc/50/08/56/589500856.db2.gz GEAIQLSBOODZJC-LBPRGKRZSA-N 1 0 341.364 0.965 20 5 ECBDRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000852802041 589512828 /nfs/dbraw/zinc/51/28/28/589512828.db2.gz BGIRMWHLHYQMSL-GJZGRUSLSA-N 1 0 334.376 0.607 20 5 ECBDRO Cn1nccc1[C@@H](O)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000856800477 589676176 /nfs/dbraw/zinc/67/61/76/589676176.db2.gz ZDPYEPHQYDXCID-HNNXBMFYSA-N 1 0 334.380 0.970 20 5 ECBDRO C[C@@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)c1ccc([N+](=O)[O-])cc1 ZINC000866556027 589750694 /nfs/dbraw/zinc/75/06/94/589750694.db2.gz PPTSFSPPUVJMTM-WBMJQRKESA-N 1 0 335.360 0.873 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)n1 ZINC000858611859 589759609 /nfs/dbraw/zinc/75/96/09/589759609.db2.gz ULDJCFPIRPAYRN-LBPRGKRZSA-N 1 0 329.382 0.093 20 5 ECBDRO COc1cc(S(=O)(=O)N(C)CCOCC[NH3+])ccc1[N+](=O)[O-] ZINC000858633902 589762737 /nfs/dbraw/zinc/76/27/37/589762737.db2.gz GHJDOBFORPDVAO-UHFFFAOYSA-N 1 0 333.366 0.199 20 5 ECBDRO Cc1n[nH]cc1C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000126766149 590484683 /nfs/dbraw/zinc/48/46/83/590484683.db2.gz LUODDIBWQOUZMQ-UHFFFAOYSA-N 1 0 339.377 0.694 20 5 ECBDRO CC(C)C[C@H]1CN(C)CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000933251101 608729029 /nfs/dbraw/zinc/72/90/29/608729029.db2.gz OZOACAGIDZXEJB-DZGCQCFKSA-N 1 0 325.413 0.814 20 5 ECBDRO CC(C)C[C@@H]1CN(C)CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000933251103 608729092 /nfs/dbraw/zinc/72/90/92/608729092.db2.gz OZOACAGIDZXEJB-UKRRQHHQSA-N 1 0 325.413 0.814 20 5 ECBDRO CO[C@@H]1CCOC[C@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000934041090 608788659 /nfs/dbraw/zinc/78/86/59/608788659.db2.gz UMAMNZCJLNLDNX-UKRRQHHQSA-N 1 0 335.360 0.877 20 5 ECBDRO O=C([C@@H]1[C@@H]2CC[NH2+]C[C@@H]21)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000912364906 609951410 /nfs/dbraw/zinc/95/14/10/609951410.db2.gz OJPUQOAOAQFVOC-VNHYZAJKSA-N 1 0 331.376 0.494 20 5 ECBDRO O=C(N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@]12CC[C@H]1C[NH2+]C2 ZINC000912365539 609951508 /nfs/dbraw/zinc/95/15/08/609951508.db2.gz TWNMPYLIMZOKBK-LRDDRELGSA-N 1 0 331.376 0.638 20 5 ECBDRO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000919519662 610047516 /nfs/dbraw/zinc/04/75/16/610047516.db2.gz QYIZTDYWXGGKJY-LLVKDONJSA-N 1 0 327.341 0.086 20 5 ECBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923354615 611233474 /nfs/dbraw/zinc/23/34/74/611233474.db2.gz CCINZZMNQXMGNP-RWMBFGLXSA-N 1 0 327.356 0.966 20 5 ECBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[NH2+][C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000923522955 611256300 /nfs/dbraw/zinc/25/63/00/611256300.db2.gz IMANODGTTYSKBR-YPMHNXCESA-N 1 0 329.353 0.305 20 5 ECBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000954243505 612793317 /nfs/dbraw/zinc/79/33/17/612793317.db2.gz PGBRXUXGMBDJDP-CHWSQXEVSA-N 1 0 338.408 0.053 20 5 ECBDRO CN(c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)C1CCS(=O)(=O)CC1 ZINC001167104095 732700027 /nfs/dbraw/zinc/70/00/27/732700027.db2.gz OFZCFWWBQUTDMU-UHFFFAOYSA-N 1 0 341.393 0.085 20 5 ECBDRO O=C(N[C@@H]1[C@H]2C[N@H+](CCOc3ccc(F)cc3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025778544 739936272 /nfs/dbraw/zinc/93/62/72/739936272.db2.gz UMKJPBZOKNZEEF-LJIZCISZSA-N 1 0 349.362 0.916 20 5 ECBDRO O=C(CN1CCOCC1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001125892197 741071206 /nfs/dbraw/zinc/07/12/06/741071206.db2.gz XEYXIFBZGUYPEE-UHFFFAOYSA-N 1 0 328.394 0.194 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)c2csnn2)C1 ZINC001020443050 751617287 /nfs/dbraw/zinc/61/72/87/751617287.db2.gz JDFVTJLXFKYLLE-ZKCHVHJHSA-N 1 0 337.365 0.230 20 5 ECBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1c[nH]c(=O)cn1 ZINC001020521214 751754661 /nfs/dbraw/zinc/75/46/61/751754661.db2.gz HTPSELRTEAONJS-HAQNSBGRSA-N 1 0 343.343 0.729 20 5 ECBDRO COC(=O)[C@@H](CCC[NH3+])Nc1nc(SC)nc(OC)c1[N+](=O)[O-] ZINC001167895514 751773419 /nfs/dbraw/zinc/77/34/19/751773419.db2.gz INUJDCIMCCDEFP-SSDOTTSWSA-N 1 0 345.381 0.808 20 5 ECBDRO Cn1nnc(C(=O)N2CCC([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000996899350 743008714 /nfs/dbraw/zinc/00/87/14/743008714.db2.gz VEEACQPJZCRPBN-UHFFFAOYSA-N 1 0 345.363 0.513 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1CCN(C(=O)c2ccncn2)CC1 ZINC000997107926 743245375 /nfs/dbraw/zinc/24/53/75/743245375.db2.gz QMVONDMQTLARRI-UHFFFAOYSA-N 1 0 345.363 0.513 20 5 ECBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000997773307 743802100 /nfs/dbraw/zinc/80/21/00/743802100.db2.gz VXNRYCNEJXZHMX-HZPDHXFCSA-N 1 0 347.419 0.823 20 5 ECBDRO Cc1noc(CCC[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001002787159 747785412 /nfs/dbraw/zinc/78/54/12/747785412.db2.gz GZKFIOPCXSXVGT-CHWSQXEVSA-N 1 0 337.380 0.556 20 5 ECBDRO CCn1cc(CC[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC001002788066 747786229 /nfs/dbraw/zinc/78/62/29/747786229.db2.gz MMIXFRWLGMAMGZ-HUUCEWRRSA-N 1 0 335.408 0.691 20 5 ECBDRO O=C(Cn1nccn1)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001002920230 747961051 /nfs/dbraw/zinc/96/10/51/747961051.db2.gz ZBJGHAFPUAOBKE-UHFFFAOYSA-N 1 0 344.375 0.967 20 5 ECBDRO CN(CCN(C)c1ncccc1[N+](=O)[O-])C(=O)C12CC[NH+](CC1)C2 ZINC001105434056 750082281 /nfs/dbraw/zinc/08/22/81/750082281.db2.gz HBCKOXURMYXOLU-UHFFFAOYSA-N 1 0 333.392 0.980 20 5 ECBDRO NC(=O)CC(=O)N1CC2(C1)CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000981679367 750964137 /nfs/dbraw/zinc/96/41/37/750964137.db2.gz PZANGCUMCDHILL-UHFFFAOYSA-N 1 0 346.387 0.895 20 5 ECBDRO O=C(Cn1cncn1)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001021020195 752440349 /nfs/dbraw/zinc/44/03/49/752440349.db2.gz XMJSBTYXEPLXLH-XYPYZODXSA-N 1 0 336.377 0.685 20 5 ECBDRO Cc1cc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)[nH]n1 ZINC000983250564 754995388 /nfs/dbraw/zinc/99/53/88/754995388.db2.gz XFFGOBFCAIZQCF-XYPYZODXSA-N 1 0 347.379 0.658 20 5 ECBDRO COc1nscc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000996440827 757607117 /nfs/dbraw/zinc/60/71/17/757607117.db2.gz MXQWDGQTCITBIV-VXGBXAGGSA-N 1 0 340.405 0.898 20 5 ECBDRO Cc1nnccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001022369463 758634255 /nfs/dbraw/zinc/63/42/55/758634255.db2.gz HXRDRWHGKGEOHI-PHIMTYICSA-N 1 0 345.363 0.477 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)c2ncccc2F)C1 ZINC001022888011 759255694 /nfs/dbraw/zinc/25/56/94/759255694.db2.gz RMBPEBYETFSCPU-AOOOYVTPSA-N 1 0 348.338 0.913 20 5 ECBDRO CCn1nncc1C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001050517011 760411504 /nfs/dbraw/zinc/41/15/04/760411504.db2.gz MQGUGQLYWGPVHW-ZIAGYGMSSA-N 1 0 348.407 0.388 20 5 ECBDRO COc1ccccc1OCC[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001031660488 766379067 /nfs/dbraw/zinc/37/90/67/766379067.db2.gz JBRQRMASEJKHGP-ZIAGYGMSSA-N 1 0 349.387 0.787 20 5 ECBDRO O=C(NCC1CN(Cc2ccccc2[N+](=O)[O-])C1)c1cn[nH]c(=O)c1 ZINC001031751112 767147694 /nfs/dbraw/zinc/14/76/94/767147694.db2.gz RPDGWCAKPXHIJW-UHFFFAOYSA-N 1 0 343.343 0.952 20 5 ECBDRO CCC[N@H+](C)CC(=O)N1CC(N(CC)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001079744210 776789148 /nfs/dbraw/zinc/78/91/48/776789148.db2.gz WVCUJTPWETXDIH-CHWSQXEVSA-N 1 0 326.397 0.053 20 5 ECBDRO COc1cccc(C[N@@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)n1 ZINC001072721439 788647824 /nfs/dbraw/zinc/64/78/24/788647824.db2.gz RRQMQDMWUVBNPM-ZIAGYGMSSA-N 1 0 346.387 0.790 20 5 ECBDRO C[NH+](C)CCCC(=O)NC1(C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001073015586 789275652 /nfs/dbraw/zinc/27/56/52/789275652.db2.gz LBUYSHJFXAQRAQ-CHWSQXEVSA-N 1 0 340.424 0.491 20 5 ECBDRO NC(=O)CC(=O)NC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC001267834842 838629784 /nfs/dbraw/zinc/62/97/84/838629784.db2.gz NKOHRZSIGKKBGS-UHFFFAOYSA-N 1 0 334.376 0.989 20 5 ECBDRO CS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000428521977 210266037 /nfs/dbraw/zinc/26/60/37/210266037.db2.gz LFRKKQWSCDPVAL-JTQLQIEISA-N 1 0 341.389 0.809 20 5 ECBDRO [NH3+][C@@H]1CCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000428360187 210256724 /nfs/dbraw/zinc/25/67/24/210256724.db2.gz IODKKFMIXIDTAA-MRVPVSSYSA-N 1 0 326.740 0.538 20 5 ECBDRO C[NH+]1CCN(c2ccc(CNC(=O)c3[nH]ncc3[N+](=O)[O-])cn2)CC1 ZINC000159510564 529777374 /nfs/dbraw/zinc/77/73/74/529777374.db2.gz JSBXKEBDROJSQB-UHFFFAOYSA-N 1 0 345.363 0.395 20 5 ECBDRO C[N@H+](CCN1CCOCC1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181744432 529911511 /nfs/dbraw/zinc/91/15/11/529911511.db2.gz AIYLWDWIOUJAKA-CQSZACIVSA-N 1 0 339.392 0.599 20 5 ECBDRO CCCc1n[nH]c(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000424222936 209891260 /nfs/dbraw/zinc/89/12/60/209891260.db2.gz GSTSHJZFQOPQOK-WDEREUQCSA-N 1 0 347.379 0.571 20 5 ECBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@H]1CCSC1 ZINC000180941634 234037336 /nfs/dbraw/zinc/03/73/36/234037336.db2.gz BVBWHYMFXQXCFB-JTQLQIEISA-N 1 0 331.419 0.968 20 5 ECBDRO C[NH2+][C@H]1CCN(C(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000423100522 209699059 /nfs/dbraw/zinc/69/90/59/209699059.db2.gz MXJNQJCJWFLHAW-ZDUSSCGKSA-N 1 0 346.387 0.906 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000355260800 299226731 /nfs/dbraw/zinc/22/67/31/299226731.db2.gz BVGQWGDHZZYTEU-LLVKDONJSA-N 1 0 336.392 0.976 20 5 ECBDRO Cc1nccc(N2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000183777683 235222737 /nfs/dbraw/zinc/22/27/37/235222737.db2.gz BQCJQMZJFBXKMZ-CQSZACIVSA-N 1 0 347.379 0.073 20 5 ECBDRO [NH3+][C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C1CC1 ZINC000261922391 283549359 /nfs/dbraw/zinc/54/93/59/283549359.db2.gz JBZZMAQCUYYWQH-QWRGUYRKSA-N 1 0 336.348 0.646 20 5 ECBDRO COc1cc(S(=O)(=O)NC[C@H]2C[NH2+]CCCO2)ccc1[N+](=O)[O-] ZINC000420446391 209368507 /nfs/dbraw/zinc/36/85/07/209368507.db2.gz BKVDPYUPVMRMQC-SNVBAGLBSA-N 1 0 345.377 0.260 20 5 ECBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC000420485293 209375540 /nfs/dbraw/zinc/37/55/40/209375540.db2.gz ZOKHUIXKFSHXTM-LLVKDONJSA-N 1 0 329.378 0.478 20 5 ECBDRO [NH3+][C@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CCOCC1 ZINC000261813678 283610990 /nfs/dbraw/zinc/61/09/90/283610990.db2.gz OYFNYSBVVFWODO-INIZCTEOSA-N 1 0 348.403 0.997 20 5 ECBDRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000419969844 209263788 /nfs/dbraw/zinc/26/37/88/209263788.db2.gz CYRUEQDZRZPPOY-AWEZNQCLSA-N 1 0 334.376 0.579 20 5 ECBDRO COc1c(F)cc(S(=O)(=O)N[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000193234226 240070993 /nfs/dbraw/zinc/07/09/93/240070993.db2.gz KWGWJIZEATZXSE-MRVPVSSYSA-N 1 0 333.341 0.773 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000193418686 240158784 /nfs/dbraw/zinc/15/87/84/240158784.db2.gz IMFHKQCIHUEBDS-MWLCHTKSSA-N 1 0 329.378 0.880 20 5 ECBDRO COCC[NH2+]CCNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000193364562 240133768 /nfs/dbraw/zinc/13/37/68/240133768.db2.gz HMTYRTKQRUVJCL-UHFFFAOYSA-N 1 0 331.394 0.726 20 5 ECBDRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)C2)CC1 ZINC000193559360 240212771 /nfs/dbraw/zinc/21/27/71/240212771.db2.gz PHBCBNCTYCWPJV-ZDUSSCGKSA-N 1 0 349.391 0.547 20 5 ECBDRO COc1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000419795280 209206520 /nfs/dbraw/zinc/20/65/20/209206520.db2.gz JMZGPSDVBQEXJO-UHFFFAOYSA-N 1 0 336.348 0.752 20 5 ECBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CCO1 ZINC000262438673 244975983 /nfs/dbraw/zinc/97/59/83/244975983.db2.gz URFQFOVNTVXMPN-LLVKDONJSA-N 1 0 331.332 0.580 20 5 ECBDRO CS(=O)(=O)c1cc(C(=O)NCC[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000262578401 245042637 /nfs/dbraw/zinc/04/26/37/245042637.db2.gz MLKQVNJQRVAZQB-JTQLQIEISA-N 1 0 341.389 0.728 20 5 ECBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000262773372 245172420 /nfs/dbraw/zinc/17/24/20/245172420.db2.gz BNNHSSKHTPPTCX-NQBHXWOUSA-N 1 0 334.376 0.970 20 5 ECBDRO NC(=O)c1ccc(SCC(=O)N[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000262752314 245160046 /nfs/dbraw/zinc/16/00/46/245160046.db2.gz NHZUNKVTJNUKHH-SNVBAGLBSA-N 1 0 338.389 0.654 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000263763968 245639328 /nfs/dbraw/zinc/63/93/28/245639328.db2.gz DBWMQPFKPFQULD-CYBMUJFWSA-N 1 0 334.376 0.843 20 5 ECBDRO CNC(=O)[C@@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000111269663 220129694 /nfs/dbraw/zinc/12/96/94/220129694.db2.gz MGOXWVQYJYEIPI-OCCSQVGLSA-N 1 0 337.376 0.793 20 5 ECBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[NH+](C2CCOCC2)CC1 ZINC000081032976 217352830 /nfs/dbraw/zinc/35/28/30/217352830.db2.gz BNXHKFJYVUSPDI-UHFFFAOYSA-N 1 0 337.380 0.505 20 5 ECBDRO COC[C@@](C)(CCO)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000085903059 217687265 /nfs/dbraw/zinc/68/72/65/217687265.db2.gz IEBXXAUHBYYUBL-MRXNPFEDSA-N 1 0 337.376 0.861 20 5 ECBDRO CN(C)CC[NH+]1CCC(CNC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000265124971 247226030 /nfs/dbraw/zinc/22/60/30/247226030.db2.gz OYENZIVFUFTFBQ-UHFFFAOYSA-N 1 0 338.412 0.181 20 5 ECBDRO COC(=O)[C@H]1CC12CC[NH+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000266563085 248361508 /nfs/dbraw/zinc/36/15/08/248361508.db2.gz YKUNVXIOAJKHDE-CHWSQXEVSA-N 1 0 338.364 0.427 20 5 ECBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])C[C@@H]21 ZINC000450800461 211344592 /nfs/dbraw/zinc/34/45/92/211344592.db2.gz YKGODVWWMIQDMY-RNCFNFMXSA-N 1 0 326.378 0.383 20 5 ECBDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450203806 211312138 /nfs/dbraw/zinc/31/21/38/211312138.db2.gz HYCDBMHGXFBJIK-MRXNPFEDSA-N 1 0 347.375 0.823 20 5 ECBDRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449281833 211278834 /nfs/dbraw/zinc/27/88/34/211278834.db2.gz FJLFBYLDYILJEM-LBPRGKRZSA-N 1 0 344.437 0.948 20 5 ECBDRO COc1ccc(NC(=O)C[NH2+][C@H](CO)[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000447905850 211215159 /nfs/dbraw/zinc/21/51/59/211215159.db2.gz VOGXAXKPXBPQRK-OCCSQVGLSA-N 1 0 339.348 0.671 20 5 ECBDRO COCCO[C@H]1C[C@H](CO)C[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000447379715 211185889 /nfs/dbraw/zinc/18/58/89/211185889.db2.gz CAOXELJIGNFHKR-STQMWFEESA-N 1 0 328.369 0.137 20 5 ECBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000444831236 211100364 /nfs/dbraw/zinc/10/03/64/211100364.db2.gz YWQQKEUBXOHJDL-GFCCVEGCSA-N 1 0 338.364 0.782 20 5 ECBDRO C[C@](C[NH3+])(NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000429230947 210305758 /nfs/dbraw/zinc/30/57/58/210305758.db2.gz NHMWBELGJRYUGO-MRXNPFEDSA-N 1 0 349.391 0.638 20 5 ECBDRO CC(C)[C@H]([NH3+])CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000429180325 210303984 /nfs/dbraw/zinc/30/39/84/210303984.db2.gz XOAUCSJCCBZGIG-CYBMUJFWSA-N 1 0 337.380 0.494 20 5 ECBDRO [NH3+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000429076201 210296064 /nfs/dbraw/zinc/29/60/64/210296064.db2.gz MJLXAJGUCHPDQG-QWRGUYRKSA-N 1 0 336.348 0.600 20 5 ECBDRO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[NH2+]C1 ZINC000428609953 210273143 /nfs/dbraw/zinc/27/31/43/210273143.db2.gz BITGOQSMCRLPIY-ZDUSSCGKSA-N 1 0 349.391 0.510 20 5 ECBDRO C[NH2+]CCNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000418314517 208794846 /nfs/dbraw/zinc/79/48/46/208794846.db2.gz FEGCVVPWXCGYIC-UHFFFAOYSA-N 1 0 335.364 0.282 20 5 ECBDRO C[C@H](NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000418792157 208850859 /nfs/dbraw/zinc/85/08/59/208850859.db2.gz ZLLBNZLSNSFRDK-WOPDTQHZSA-N 1 0 334.376 0.981 20 5 ECBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418867996 208887978 /nfs/dbraw/zinc/88/79/78/208887978.db2.gz MTEXFGQYOAVSIB-ZIAGYGMSSA-N 1 0 346.387 0.321 20 5 ECBDRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000419171187 209010620 /nfs/dbraw/zinc/01/06/20/209010620.db2.gz XFVNCQQCLAKYOP-GFCCVEGCSA-N 1 0 342.783 0.964 20 5 ECBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000419271392 209047620 /nfs/dbraw/zinc/04/76/20/209047620.db2.gz ONYLDJNMEFESFG-ZWNOBZJWSA-N 1 0 334.376 0.934 20 5 ECBDRO C[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1CCO ZINC000419329378 209061894 /nfs/dbraw/zinc/06/18/94/209061894.db2.gz FCHWECZXXZEWEM-NEPJUHHUSA-N 1 0 336.392 0.581 20 5 ECBDRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000419345462 209063800 /nfs/dbraw/zinc/06/38/00/209063800.db2.gz HLABILLEGCUNML-CYBMUJFWSA-N 1 0 348.403 0.854 20 5 ECBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419348382 209066517 /nfs/dbraw/zinc/06/65/17/209066517.db2.gz LGDPRHCCBCEDDA-CQSZACIVSA-N 1 0 348.403 0.902 20 5 ECBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NCCC[NH2+]Cc1cccnc1 ZINC000120826508 296646212 /nfs/dbraw/zinc/64/62/12/296646212.db2.gz WPXGVOXWTITPEL-UHFFFAOYSA-N 1 0 332.364 0.873 20 5 ECBDRO C[NH+]1CCN(CCNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000272147970 296762535 /nfs/dbraw/zinc/76/25/35/296762535.db2.gz BGSHWWNKKIBWAA-UHFFFAOYSA-N 1 0 336.348 0.301 20 5 ECBDRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000261625009 165216957 /nfs/dbraw/zinc/21/69/57/165216957.db2.gz GPTZLOYMKJDRKJ-NSHDSACASA-N 1 0 335.364 0.914 20 5 ECBDRO CN(c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261772212 165242271 /nfs/dbraw/zinc/24/22/71/165242271.db2.gz RCEABGFJMKJFEO-ZACCUICWSA-N 1 0 340.405 0.961 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261970034 165271098 /nfs/dbraw/zinc/27/10/98/165271098.db2.gz YVKOLOUZNSBWKO-MNOVXSKESA-N 1 0 341.389 0.833 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000262364139 165338899 /nfs/dbraw/zinc/33/88/99/165338899.db2.gz WRNPJWMIXJVYJM-GXSJLCMTSA-N 1 0 329.378 0.961 20 5 ECBDRO COCCOc1cc([N+](=O)[O-])c(C(=O)NCCC[NH3+])cc1OC ZINC000262476536 165352904 /nfs/dbraw/zinc/35/29/04/165352904.db2.gz NNDAXWKQDFSKRK-UHFFFAOYSA-N 1 0 327.337 0.707 20 5 ECBDRO C[C@@H](C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000262486235 165355291 /nfs/dbraw/zinc/35/52/91/165355291.db2.gz UQKXJIHKCPAXNL-LURJTMIESA-N 1 0 338.183 0.983 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC1CC[NH+](CC2CC2)CC1 ZINC000299469170 296865448 /nfs/dbraw/zinc/86/54/48/296865448.db2.gz BEFOMAAROPBSBN-UHFFFAOYSA-N 1 0 334.376 0.747 20 5 ECBDRO CN(C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[C@@H]1CC[NH2+]C1 ZINC000262576072 165364490 /nfs/dbraw/zinc/36/44/90/165364490.db2.gz JCRIWXWQJKFDOH-LLVKDONJSA-N 1 0 334.332 0.141 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000262737707 165379336 /nfs/dbraw/zinc/37/93/36/165379336.db2.gz AXTWNDMAYJVVDZ-VHSXEESVSA-N 1 0 329.378 0.974 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000262755893 165382154 /nfs/dbraw/zinc/38/21/54/165382154.db2.gz HTZZQSNMJUKBQA-VHSXEESVSA-N 1 0 329.378 0.974 20 5 ECBDRO C[C@@H]1C[C@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000262842018 165393247 /nfs/dbraw/zinc/39/32/47/165393247.db2.gz JALUTSHZKPJEFN-GHMZBOCLSA-N 1 0 348.359 0.577 20 5 ECBDRO CNC(=O)[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000183661168 263157733 /nfs/dbraw/zinc/15/77/33/263157733.db2.gz CDGBGHQFMLXNGK-JSGCOSHPSA-N 1 0 325.365 0.695 20 5 ECBDRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)C1 ZINC000193267998 263166705 /nfs/dbraw/zinc/16/67/05/263166705.db2.gz XLDKZUWJMVRPNW-SECBINFHSA-N 1 0 347.368 0.973 20 5 ECBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000194059737 263168379 /nfs/dbraw/zinc/16/83/79/263168379.db2.gz LSICPHPHJOKAHJ-UHFFFAOYSA-N 1 0 329.360 0.966 20 5 ECBDRO NS(=O)(=O)c1ccc(N2CCC([NH2+]C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000269850935 263208566 /nfs/dbraw/zinc/20/85/66/263208566.db2.gz FYDZRMUNNRJUBU-UHFFFAOYSA-N 1 0 340.405 0.963 20 5 ECBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](NC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000270681029 263262610 /nfs/dbraw/zinc/26/26/10/263262610.db2.gz MORKGQMNNUKKNB-LLVKDONJSA-N 1 0 335.364 0.974 20 5 ECBDRO CCc1n[nH]c(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1[N+](=O)[O-] ZINC000270964771 263288801 /nfs/dbraw/zinc/28/88/01/263288801.db2.gz AVMFREBSCZWHJG-LLVKDONJSA-N 1 0 339.396 0.847 20 5 ECBDRO C[C@H](O)C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](C)CO ZINC000276209912 263686047 /nfs/dbraw/zinc/68/60/47/263686047.db2.gz OYFUGYLNBVVHKT-SGMGOOAPSA-N 1 0 328.365 0.398 20 5 ECBDRO C[C@@H](O)CN1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@H](C)C1 ZINC000282725640 264059343 /nfs/dbraw/zinc/05/93/43/264059343.db2.gz CGCMPRHFJHQHBU-NXEZZACHSA-N 1 0 340.355 0.843 20 5 ECBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@@H]2COC[C@H]2O)c([N+](=O)[O-])c1 ZINC000285473988 264316832 /nfs/dbraw/zinc/31/68/32/264316832.db2.gz HQZYLFYKNAEAST-ZIAGYGMSSA-N 1 0 339.348 0.624 20 5 ECBDRO C[N@@H+]1CC[C@@]2(CCN(c3cccc(S(N)(=O)=O)c3[N+](=O)[O-])C2)C1 ZINC000292410497 264794350 /nfs/dbraw/zinc/79/43/50/264794350.db2.gz VRZABQNZOREVIG-CQSZACIVSA-N 1 0 340.405 0.774 20 5 ECBDRO C[C@@H](CO)[C@@H](C)[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000295796149 265080575 /nfs/dbraw/zinc/08/05/75/265080575.db2.gz SBOVCNVSISRYHN-DTWKUNHWSA-N 1 0 325.321 0.869 20 5 ECBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000423649509 273842316 /nfs/dbraw/zinc/84/23/16/273842316.db2.gz PLSRBVFOXNIKAM-CYBMUJFWSA-N 1 0 334.376 0.545 20 5 ECBDRO CC[N@H+](C)CCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000264022291 276071262 /nfs/dbraw/zinc/07/12/62/276071262.db2.gz WYIUGRUMULRWFV-UHFFFAOYSA-N 1 0 345.377 0.596 20 5 ECBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)CC[NH+](C)C ZINC000488990138 276442060 /nfs/dbraw/zinc/44/20/60/276442060.db2.gz ZHZWWVAXGUFBPG-LLVKDONJSA-N 1 0 326.401 0.847 20 5 ECBDRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000237282676 277033178 /nfs/dbraw/zinc/03/31/78/277033178.db2.gz SFAOSPQICCQZDD-SNVBAGLBSA-N 1 0 329.378 0.976 20 5 ECBDRO COC(=O)C[C@H]([NH3+])C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000422918355 277328574 /nfs/dbraw/zinc/32/85/74/277328574.db2.gz HDADMEDEBWZKDB-NSHDSACASA-N 1 0 336.348 0.134 20 5 ECBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000418928863 278311990 /nfs/dbraw/zinc/31/19/90/278311990.db2.gz ZWQWWBFGBHSRLF-DOMZBBRYSA-N 1 0 348.403 0.982 20 5 ECBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000418716306 279942333 /nfs/dbraw/zinc/94/23/33/279942333.db2.gz YPPZRHFRTXQILO-PJXYFTJBSA-N 1 0 332.364 0.039 20 5 ECBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)CCC[NH2+]C ZINC000424028559 280198635 /nfs/dbraw/zinc/19/86/35/280198635.db2.gz DKYXKKYZSCKYDY-LLVKDONJSA-N 1 0 326.401 0.895 20 5 ECBDRO CCO[C@@H]1C[C@](CO)([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000189998670 437614838 /nfs/dbraw/zinc/61/48/38/437614838.db2.gz QCKUHKCLOFWZGW-CZUORRHYSA-N 1 0 339.392 0.912 20 5 ECBDRO C[NH+](C)[C@]1(CNC(=O)CCn2cc([N+](=O)[O-])cn2)CCSC1 ZINC000359714653 299882615 /nfs/dbraw/zinc/88/26/15/299882615.db2.gz DHUPKOAYNUJUEL-ZDUSSCGKSA-N 1 0 327.410 0.735 20 5 ECBDRO CCn1cc(S(=O)(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c([N+](=O)[O-])n1 ZINC000359983524 299918943 /nfs/dbraw/zinc/91/89/43/299918943.db2.gz IGNWSFHTHWQVKX-WDEREUQCSA-N 1 0 343.409 0.478 20 5 ECBDRO COCC[N@H+](C)CCCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000338675401 297288274 /nfs/dbraw/zinc/28/82/74/297288274.db2.gz DNJAVPKPZHJFFP-UHFFFAOYSA-N 1 0 327.385 0.611 20 5 ECBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC[C@@H]1CC[NH2+]C1 ZINC000342761760 297773712 /nfs/dbraw/zinc/77/37/12/297773712.db2.gz SXZYRLMBESIVDQ-SNVBAGLBSA-N 1 0 334.332 0.046 20 5 ECBDRO C[C@@H]1C[NH+](CCCCNC(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H](C)O1 ZINC000347428718 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JXZJWUHTRMBLLQ-CYBMUJFWSA-N 1 0 336.392 0.726 20 5 ECBDRO O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000373055251 301044001 /nfs/dbraw/zinc/04/40/01/301044001.db2.gz JGVMRELPSKYXAX-SMDDNHRTSA-N 1 0 342.359 1.000 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000375325728 301167632 /nfs/dbraw/zinc/16/76/32/301167632.db2.gz AFCRTIHZZCZZOJ-CHWSQXEVSA-N 1 0 333.348 0.873 20 5 ECBDRO C[C@@H](CO)[N@@H+]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000375503103 301181826 /nfs/dbraw/zinc/18/18/26/301181826.db2.gz ZCPGWLRHKVQLEK-LBPRGKRZSA-N 1 0 336.392 0.582 20 5 ECBDRO COC(=O)[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C1CC1 ZINC000375789948 301210012 /nfs/dbraw/zinc/21/00/12/301210012.db2.gz VJDJPVLVJHZSKS-KGLIPLIRSA-N 1 0 335.360 0.888 20 5 ECBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000080880633 436329713 /nfs/dbraw/zinc/32/97/13/436329713.db2.gz LUZCIYHGRPRMJU-UHFFFAOYSA-N 1 0 336.392 0.847 20 5 ECBDRO C[NH+](C)CCCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000082251360 436362899 /nfs/dbraw/zinc/36/28/99/436362899.db2.gz HMXGJYJZKJVIFQ-UHFFFAOYSA-N 1 0 334.332 0.259 20 5 ECBDRO O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000515621286 301646653 /nfs/dbraw/zinc/64/66/53/301646653.db2.gz VLGWYZHVUVEHQH-QWHCGFSZSA-N 1 0 332.360 0.279 20 5 ECBDRO C[C@H]1OCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015485 436428019 /nfs/dbraw/zinc/42/80/19/436428019.db2.gz URUDNHZCXSIPSA-GHMZBOCLSA-N 1 0 329.378 0.640 20 5 ECBDRO CC(=O)NC1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000050991299 436479815 /nfs/dbraw/zinc/47/98/15/436479815.db2.gz QENYFLHMTCDWPQ-HNNXBMFYSA-N 1 0 337.376 0.935 20 5 ECBDRO CCNC(=O)C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000054223537 436547006 /nfs/dbraw/zinc/54/70/06/436547006.db2.gz LVQJBCLVXVEPGR-UHFFFAOYSA-N 1 0 338.364 1.000 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000106402505 436594276 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ZINC000358215270 438184539 /nfs/dbraw/zinc/18/45/39/438184539.db2.gz RTWVRDBOWSDRDR-LBPRGKRZSA-N 1 0 349.796 0.593 20 5 ECBDRO CCC([NH3+])(CC)CNC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000418866214 438226816 /nfs/dbraw/zinc/22/68/16/438226816.db2.gz KOFWWCUGRZTFER-UHFFFAOYSA-N 1 0 336.392 0.887 20 5 ECBDRO COCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCSC1 ZINC000433195873 438229116 /nfs/dbraw/zinc/22/91/16/438229116.db2.gz ZFWVHGHVEHGYTI-JSGCOSHPSA-N 1 0 344.437 0.996 20 5 ECBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000432517893 438198667 /nfs/dbraw/zinc/19/86/67/438198667.db2.gz IDLSGIKZRJCGCO-RISCZKNCSA-N 1 0 349.391 0.508 20 5 ECBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418818404 438200773 /nfs/dbraw/zinc/20/07/73/438200773.db2.gz TYVKUYGGPSRMFP-LLVKDONJSA-N 1 0 340.767 0.385 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000418953573 438263154 /nfs/dbraw/zinc/26/31/54/438263154.db2.gz 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COc1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCCO2)c([N+](=O)[O-])c1 ZINC000390094470 438429181 /nfs/dbraw/zinc/42/91/81/438429181.db2.gz FUQUCNIECRUPTR-NSHDSACASA-N 1 0 345.377 0.260 20 5 ECBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000352762517 438471916 /nfs/dbraw/zinc/47/19/16/438471916.db2.gz WZTHNXMDGLTVIM-UHFFFAOYSA-N 1 0 348.407 0.426 20 5 ECBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1(CCO)CCOCC1 ZINC000352996620 438497469 /nfs/dbraw/zinc/49/74/69/438497469.db2.gz INYCUIUCKHLDAB-CYBMUJFWSA-N 1 0 328.369 0.016 20 5 ECBDRO C[N@@H+](CC(=O)NCc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000440696199 438561810 /nfs/dbraw/zinc/56/18/10/438561810.db2.gz IIEWUOCCVODNHQ-HNNXBMFYSA-N 1 0 347.375 0.400 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N[C@@H]2CCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000422868001 438612067 /nfs/dbraw/zinc/61/20/67/438612067.db2.gz UGGOXLGFBZUGLF-CHWSQXEVSA-N 1 0 334.376 0.877 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N[C@H]2CCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000422868004 438612979 /nfs/dbraw/zinc/61/29/79/438612979.db2.gz UGGOXLGFBZUGLF-STQMWFEESA-N 1 0 334.376 0.877 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N[C@@](C)(C[NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000422836081 438609700 /nfs/dbraw/zinc/60/97/00/438609700.db2.gz ZOLZEZAJLPOJKM-INIZCTEOSA-N 1 0 334.376 0.877 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1[N+](=O)[O-] ZINC000423516668 438682031 /nfs/dbraw/zinc/68/20/31/438682031.db2.gz BDEAQZZNQBJWNL-MELADBBJSA-N 1 0 346.387 0.829 20 5 ECBDRO COc1ccc(OCC[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000451633398 438702330 /nfs/dbraw/zinc/70/23/30/438702330.db2.gz MTECHBAIRQUIDE-PHIMTYICSA-N 1 0 335.316 0.187 20 5 ECBDRO CCCc1n[nH]c(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c1[N+](=O)[O-] ZINC000452388699 438659446 /nfs/dbraw/zinc/65/94/46/438659446.db2.gz KDIAKCHIBOXDMZ-NSHDSACASA-N 1 0 339.396 0.847 20 5 ECBDRO CC[NH+]1CCN([C@@H]2CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)C2)CC1 ZINC000587972522 438811441 /nfs/dbraw/zinc/81/14/41/438811441.db2.gz PXPVDVAUPQSRQX-CQSZACIVSA-N 1 0 349.435 0.886 20 5 ECBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000558750091 438826457 /nfs/dbraw/zinc/82/64/57/438826457.db2.gz UMYXJDLREQFUPD-UHFFFAOYSA-N 1 0 325.369 0.937 20 5 ECBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000588866223 438845627 /nfs/dbraw/zinc/84/56/27/438845627.db2.gz IJIILGVGPFBDMQ-VIFPVBQESA-N 1 0 334.332 0.501 20 5 ECBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000595735557 438850750 /nfs/dbraw/zinc/85/07/50/438850750.db2.gz AZKSEXXZACVKHY-AAEUAGOBSA-N 1 0 332.360 0.794 20 5 ECBDRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595948462 438895908 /nfs/dbraw/zinc/89/59/08/438895908.db2.gz KVNVJPMBEPLGIX-UHTWSYAYSA-N 1 0 335.364 0.366 20 5 ECBDRO C[N@@H+]1C[C@H]2CCN(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C1 ZINC000590011911 438897918 /nfs/dbraw/zinc/89/79/18/438897918.db2.gz MUZCOKDNWJRZIW-ZWNOBZJWSA-N 1 0 348.359 0.898 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595961042 438902490 /nfs/dbraw/zinc/90/24/90/438902490.db2.gz IFLPCQILUQQHMC-AWEZNQCLSA-N 1 0 348.403 0.995 20 5 ECBDRO CC(C)NC(=O)[C@@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595851212 438871117 /nfs/dbraw/zinc/87/11/17/438871117.db2.gz POUKIECFXJKBEJ-OCCSQVGLSA-N 1 0 339.396 0.389 20 5 ECBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000589498092 438873864 /nfs/dbraw/zinc/87/38/64/438873864.db2.gz BTLZVOKTZREVJE-GFCCVEGCSA-N 1 0 337.376 0.880 20 5 ECBDRO C[NH+]1CCC(N2CC[C@H](Nc3nccc(C(N)=O)c3[N+](=O)[O-])C2)CC1 ZINC000589572734 438878364 /nfs/dbraw/zinc/87/83/64/438878364.db2.gz WSTMZDBAWFHTLQ-NSHDSACASA-N 1 0 348.407 0.669 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000589928007 438893538 /nfs/dbraw/zinc/89/35/38/438893538.db2.gz CGILVUCAKHETLF-JQWIXIFHSA-N 1 0 341.389 0.928 20 5 ECBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000590402221 438918018 /nfs/dbraw/zinc/91/80/18/438918018.db2.gz AXHZIQPJJKYKGV-BXUZGUMPSA-N 1 0 334.376 0.876 20 5 ECBDRO [NH3+][C@@H]1C[C@H]2CN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000565238831 438935925 /nfs/dbraw/zinc/93/59/25/438935925.db2.gz IHIQQXIABPKGTO-NWDGAFQWSA-N 1 0 347.375 0.167 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000591291920 438997018 /nfs/dbraw/zinc/99/70/18/438997018.db2.gz KRSBDVSGFTVNCE-SNVBAGLBSA-N 1 0 336.348 0.800 20 5 ECBDRO Cc1c(NC(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000591299578 438999453 /nfs/dbraw/zinc/99/94/53/438999453.db2.gz LWKMKPTTXAFOSC-GWCFXTLKSA-N 1 0 336.348 0.416 20 5 ECBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000591351710 439005910 /nfs/dbraw/zinc/00/59/10/439005910.db2.gz ZVIUOTSQRKQTSZ-RISCZKNCSA-N 1 0 338.364 0.731 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC[C@H]2COc3ccccc3O2)c1 ZINC000566114275 439008389 /nfs/dbraw/zinc/00/83/89/439008389.db2.gz FAYFGCOMTJRTNG-KGLIPLIRSA-N 1 0 348.359 0.972 20 5 ECBDRO Cc1cc(N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)ncc1[N+](=O)[O-] ZINC000591425697 439012542 /nfs/dbraw/zinc/01/25/42/439012542.db2.gz JTSBTDFSQGHTIF-CYBMUJFWSA-N 1 0 333.392 0.946 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](CC[NH3+])C(F)F ZINC000591450085 439014363 /nfs/dbraw/zinc/01/43/63/439014363.db2.gz ZEIPPOPRQXUTSR-ZETCQYMHSA-N 1 0 339.320 0.864 20 5 ECBDRO C[C@H]1CN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC[C@H]1[NH3+] ZINC000591578168 439023011 /nfs/dbraw/zinc/02/30/11/439023011.db2.gz HMYKPNIMJSUBSJ-SMDDNHRTSA-N 1 0 346.387 0.675 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CC[NH2+]C[C@@H]2C(F)F)cc1 ZINC000580431979 439088596 /nfs/dbraw/zinc/08/85/96/439088596.db2.gz DLIWTNWWVCYLOM-GFCCVEGCSA-N 1 0 349.359 0.907 20 5 ECBDRO O=C(CN1CC[NH2+]CC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602458557 439090826 /nfs/dbraw/zinc/09/08/26/439090826.db2.gz OBJUOSIQGMNUFV-UHFFFAOYSA-N 1 0 348.403 0.870 20 5 ECBDRO C[C@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000602485777 439098103 /nfs/dbraw/zinc/09/81/03/439098103.db2.gz ZKVKOHCKOBIWBB-DZGCQCFKSA-N 1 0 336.440 0.786 20 5 ECBDRO Cc1nc2n(n1)C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC000580239338 439075368 /nfs/dbraw/zinc/07/53/68/439075368.db2.gz RSLWIAWDEYHSSL-OLZOCXBDSA-N 1 0 347.375 0.839 20 5 ECBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)c1 ZINC000520452238 439084000 /nfs/dbraw/zinc/08/40/00/439084000.db2.gz RCASYGRHUCMOKQ-SNVBAGLBSA-N 1 0 338.364 0.400 20 5 ECBDRO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580710378 439120697 /nfs/dbraw/zinc/12/06/97/439120697.db2.gz VOMOXGUKAVPJQD-ZKYQVNSYSA-N 1 0 344.389 0.357 20 5 ECBDRO COc1cc(OCC(=O)N[C@H](CO)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000597653802 439150486 /nfs/dbraw/zinc/15/04/86/439150486.db2.gz MQBFDXMESOYMNF-JTQLQIEISA-N 1 0 327.337 0.021 20 5 ECBDRO CNc1nccc(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000597694548 439162463 /nfs/dbraw/zinc/16/24/63/439162463.db2.gz LDZFQYNIKIOZBX-OLZOCXBDSA-N 1 0 349.391 0.967 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000592389758 439220745 /nfs/dbraw/zinc/22/07/45/439220745.db2.gz GDRBYNWWTJYLHF-GHMZBOCLSA-N 1 0 341.389 0.976 20 5 ECBDRO C[NH+](C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C[C@@H]1O ZINC000581141232 439176582 /nfs/dbraw/zinc/17/65/82/439176582.db2.gz SWPCODHKOJYLJL-RYUDHWBXSA-N 1 0 337.332 0.113 20 5 ECBDRO C[NH+]1CCC2(CC1)CN(C(=O)Nc1ccncc1[N+](=O)[O-])CCO2 ZINC000592246336 439189698 /nfs/dbraw/zinc/18/96/98/439189698.db2.gz JERHNDQXQHAFGR-UHFFFAOYSA-N 1 0 335.364 0.740 20 5 ECBDRO Cc1nn(CCC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000592310021 439200555 /nfs/dbraw/zinc/20/05/55/439200555.db2.gz VEBLJWXXASJIOA-CABZTGNLSA-N 1 0 325.369 0.373 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000592376163 439214325 /nfs/dbraw/zinc/21/43/25/439214325.db2.gz ZRLXPZPDMQMOOG-ONGXEEELSA-N 1 0 345.377 0.340 20 5 ECBDRO C[C@@H]([NH3+])CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000592383513 439216072 /nfs/dbraw/zinc/21/60/72/439216072.db2.gz ZRADQFWVVIHNTP-ZCFIWIBFSA-N 1 0 338.183 0.983 20 5 ECBDRO C[C@@H]([NH3+])CNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000592383075 439216191 /nfs/dbraw/zinc/21/61/91/439216191.db2.gz DWFQUYWWVUXFKR-ZCFIWIBFSA-N 1 0 338.183 0.983 20 5 ECBDRO C[NH+](C)CCC[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000598542614 439277801 /nfs/dbraw/zinc/27/78/01/439277801.db2.gz YVQACXIVEFGHKN-ZDUSSCGKSA-N 1 0 325.369 0.361 20 5 ECBDRO COCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCO[C@H]1C ZINC000489447163 439229012 /nfs/dbraw/zinc/22/90/12/439229012.db2.gz KBSGIBGMUKZFTG-FPMFFAJLSA-N 1 0 328.369 0.278 20 5 ECBDRO CN(CC1C[NH+](C)C1)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000598163448 439233659 /nfs/dbraw/zinc/23/36/59/439233659.db2.gz PFNKHRYEYNKLHD-UHFFFAOYSA-N 1 0 341.389 0.632 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)CC1C[NH+](C)C1 ZINC000598162947 439234622 /nfs/dbraw/zinc/23/46/22/439234622.db2.gz LGBXPZWSOKVLHD-NSHDSACASA-N 1 0 334.376 0.733 20 5 ECBDRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000598186124 439237752 /nfs/dbraw/zinc/23/77/52/439237752.db2.gz MCQCMXCTUMXLQN-UHFFFAOYSA-N 1 0 336.392 0.616 20 5 ECBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000569379442 439328040 /nfs/dbraw/zinc/32/80/40/439328040.db2.gz CRUNLXGZNLXEIM-UTUOFQBUSA-N 1 0 347.375 0.166 20 5 ECBDRO C[C@H]1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000598665188 439299412 /nfs/dbraw/zinc/29/94/12/439299412.db2.gz LTEYJVVQEKSUTM-QWRGUYRKSA-N 1 0 335.364 0.925 20 5 ECBDRO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NCC[C@@H]1CC[NH2+]C1 ZINC000598665448 439300518 /nfs/dbraw/zinc/30/05/18/439300518.db2.gz WGPVOBGEOOXJJS-NSHDSACASA-N 1 0 335.364 0.832 20 5 ECBDRO Cc1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCCO2)c(C)c1[N+](=O)[O-] ZINC000598714663 439305693 /nfs/dbraw/zinc/30/56/93/439305693.db2.gz HJPDQEWUCBGDLK-GFCCVEGCSA-N 1 0 343.405 0.868 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000599106757 439360248 /nfs/dbraw/zinc/36/02/48/439360248.db2.gz GYHWWEVXXMAUCE-QWRGUYRKSA-N 1 0 343.409 0.339 20 5 ECBDRO Cc1c(NC(=O)CC[NH2+][C@@]2(C(N)=O)CCOC2)cccc1[N+](=O)[O-] ZINC000569619268 439350202 /nfs/dbraw/zinc/35/02/02/439350202.db2.gz QDFZHWRKXCNLID-HNNXBMFYSA-N 1 0 336.348 0.466 20 5 ECBDRO CN(C)S(=O)(=O)c1ccc(N2CC[N@@H+]3CC[C@H]2C3)c([N+](=O)[O-])c1 ZINC000599082232 439354028 /nfs/dbraw/zinc/35/40/28/439354028.db2.gz COVMYJMZPPDZDP-NSHDSACASA-N 1 0 340.405 0.739 20 5 ECBDRO C[NH+](C)CCN1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1=O ZINC000593234204 439354948 /nfs/dbraw/zinc/35/49/48/439354948.db2.gz GYXHLGLKSAYOET-UHFFFAOYSA-N 1 0 348.403 0.760 20 5 ECBDRO CCN(CC[NH3+])S(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000599098613 439354995 /nfs/dbraw/zinc/35/49/95/439354995.db2.gz NNGDYODVCSZGEY-UHFFFAOYSA-N 1 0 331.350 0.351 20 5 ECBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000599129520 439366268 /nfs/dbraw/zinc/36/62/68/439366268.db2.gz CEWFHWJTGHOUBL-AWEZNQCLSA-N 1 0 344.375 1.290 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)n1 ZINC000599220636 439387180 /nfs/dbraw/zinc/38/71/80/439387180.db2.gz FTNLKGTUOLUGLE-NSHDSACASA-N 1 0 343.409 0.577 20 5 ECBDRO [NH3+]CC1(O)CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000583203179 439432368 /nfs/dbraw/zinc/43/23/68/439432368.db2.gz SIPCMXXIZSFKPV-UHFFFAOYSA-N 1 0 345.359 0.706 20 5 ECBDRO COc1ccc(OCC[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000583227775 439437119 /nfs/dbraw/zinc/43/71/19/439437119.db2.gz ZNNKILRZIPLLHV-RISCZKNCSA-N 1 0 326.349 0.657 20 5 ECBDRO CC(C)(CO)[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccnc1 ZINC000570791137 439450569 /nfs/dbraw/zinc/45/05/69/439450569.db2.gz RNEAKDXTKDVITL-GJZGRUSLSA-N 1 0 349.391 0.897 20 5 ECBDRO CN1CC[C@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000583747843 439508081 /nfs/dbraw/zinc/50/80/81/439508081.db2.gz GUVQYZZNMVZYER-GXTWGEPZSA-N 1 0 337.376 0.793 20 5 ECBDRO C[N@@H+]1CCCN(CCCNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000594290548 439534749 /nfs/dbraw/zinc/53/47/49/439534749.db2.gz CWASNPMBZXJLGZ-UHFFFAOYSA-N 1 0 336.396 0.329 20 5 ECBDRO CCNC(=O)c1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000572101140 439557315 /nfs/dbraw/zinc/55/73/15/439557315.db2.gz LEIIZYLXNXVKNI-OAHLLOKOSA-N 1 0 347.375 0.692 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000594451641 439563081 /nfs/dbraw/zinc/56/30/81/439563081.db2.gz PXWZVJXKCLYCPY-OIBJUYFYSA-N 1 0 348.281 0.719 20 5 ECBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CC[N@@H+]4C[C@H](O)C[C@H]4C3)n2)c1 ZINC000594041631 439512261 /nfs/dbraw/zinc/51/22/61/439512261.db2.gz CWPMGFMHRXKDGO-UONOGXRCSA-N 1 0 345.359 0.896 20 5 ECBDRO 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439594771 /nfs/dbraw/zinc/59/47/71/439594771.db2.gz SSHSIOOZQWELLD-DUVNUKRYSA-N 1 0 340.376 0.976 20 5 ECBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000584530064 439596385 /nfs/dbraw/zinc/59/63/85/439596385.db2.gz KGLTVKZFBNEXOV-NWDGAFQWSA-N 1 0 336.392 0.838 20 5 ECBDRO O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000594754532 439602428 /nfs/dbraw/zinc/60/24/28/439602428.db2.gz LWCIQSLPFBBOIY-LLVKDONJSA-N 1 0 326.378 0.752 20 5 ECBDRO COc1cc(OCC(=O)N2CCN(C)C[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000572760143 439608945 /nfs/dbraw/zinc/60/89/45/439608945.db2.gz IMUSURZIMLPKNB-NSHDSACASA-N 1 0 338.364 0.084 20 5 ECBDRO COC(=O)C[C@@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610368535 439611898 /nfs/dbraw/zinc/61/18/98/439611898.db2.gz JAHBEBDNEHQXRA-WCQYABFASA-N 1 0 326.353 0.570 20 5 ECBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000572856914 439613954 /nfs/dbraw/zinc/61/39/54/439613954.db2.gz HTJDQUNAGSIXFO-VXGBXAGGSA-N 1 0 347.375 0.987 20 5 ECBDRO CN(C)[C@@]1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCSC1 ZINC000572952693 439618298 /nfs/dbraw/zinc/61/82/98/439618298.db2.gz DYWQKQQWFHENKW-CHWSQXEVSA-N 1 0 329.426 0.179 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC1(CO)CCOCC1 ZINC000573206572 439633671 /nfs/dbraw/zinc/63/36/71/439633671.db2.gz FLBNFZZZNLVNNF-CYBMUJFWSA-N 1 0 340.376 0.713 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@]1(O)CCS(=O)(=O)C1 ZINC000595041719 439650619 /nfs/dbraw/zinc/65/06/19/439650619.db2.gz OWXPFDRPTNPPQU-IINYFYTJSA-N 1 0 344.389 0.804 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CCN(CC3CC3)CC2)c([N+](=O)[O-])n1 ZINC000611105349 439672700 /nfs/dbraw/zinc/67/27/00/439672700.db2.gz ZTECBVLKXXVZHB-UHFFFAOYSA-N 1 0 343.409 0.528 20 5 ECBDRO C[N@@H+]1CCCN(CCCNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000611528271 439702941 /nfs/dbraw/zinc/70/29/41/439702941.db2.gz BRKVKQJBAHIEEW-UHFFFAOYSA-N 1 0 335.408 0.934 20 5 ECBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000600807648 439704418 /nfs/dbraw/zinc/70/44/18/439704418.db2.gz JRUJHFXOFQQRSL-JTQLQIEISA-N 1 0 337.332 0.162 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595222511 439675937 /nfs/dbraw/zinc/67/59/37/439675937.db2.gz KSPOBBGVGRZFQV-AWEZNQCLSA-N 1 0 348.403 0.995 20 5 ECBDRO COc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000611871409 439733712 /nfs/dbraw/zinc/73/37/12/439733712.db2.gz NOZFKDJSFRTVJT-NSHDSACASA-N 1 0 336.348 0.752 20 5 ECBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000289179478 320663445 /nfs/dbraw/zinc/66/34/45/320663445.db2.gz IFIRRIKJQMEWOX-AWEZNQCLSA-N 1 0 334.376 0.480 20 5 ECBDRO O=C1CC[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C2CC2)N1 ZINC000342045408 321073682 /nfs/dbraw/zinc/07/36/82/321073682.db2.gz IPWQXMZTVUOLQH-KMFMINBZSA-N 1 0 349.387 0.981 20 5 ECBDRO C[C@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000342960961 321113738 /nfs/dbraw/zinc/11/37/38/321113738.db2.gz OROBFRBUNQXNEF-NSHDSACASA-N 1 0 336.392 0.975 20 5 ECBDRO [NH3+][C@H](CC(F)F)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345834545 321202522 /nfs/dbraw/zinc/20/25/22/321202522.db2.gz ZRUQPRSTRRWJRP-PSASIEDQSA-N 1 0 329.307 0.985 20 5 ECBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[N@H+](C)CC ZINC000346140450 321215482 /nfs/dbraw/zinc/21/54/82/321215482.db2.gz XWZYZDMXZWHJAO-LLVKDONJSA-N 1 0 326.401 0.895 20 5 ECBDRO Cn1ccnc1[C@H](NC[C@H](O)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000353499839 321395751 /nfs/dbraw/zinc/39/57/51/321395751.db2.gz DOGLEGLURRNEPB-LSDHHAIUSA-N 1 0 333.392 0.930 20 5 ECBDRO C[NH+](C)CC1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000534304339 322075733 /nfs/dbraw/zinc/07/57/33/322075733.db2.gz MCCGVTUOJWPLCG-UHFFFAOYSA-N 1 0 328.394 0.952 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCOC3(CCOCC3)CC2)c1 ZINC000545276767 322108476 /nfs/dbraw/zinc/10/84/76/322108476.db2.gz GCTRAISAXXYRNX-CQSZACIVSA-N 1 0 340.380 0.424 20 5 ECBDRO C[NH2+][C@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1cnn(C)c1 ZINC000563537329 322326625 /nfs/dbraw/zinc/32/66/25/322326625.db2.gz MUOYOBHHLVSUFU-AWEZNQCLSA-N 1 0 330.348 0.569 20 5 ECBDRO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000563888276 322351169 /nfs/dbraw/zinc/35/11/69/322351169.db2.gz HYLINHZPCQERSL-HNNXBMFYSA-N 1 0 342.355 0.841 20 5 ECBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000564716519 322388634 /nfs/dbraw/zinc/38/86/34/322388634.db2.gz AIRHYNBCGGQQJT-GXTWGEPZSA-N 1 0 348.407 0.819 20 5 ECBDRO C[S@@](=O)C1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000564861763 322401603 /nfs/dbraw/zinc/40/16/03/322401603.db2.gz BNBBBPADULDRAN-OAQYLSRUSA-N 1 0 346.430 0.869 20 5 ECBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000566066796 322497346 /nfs/dbraw/zinc/49/73/46/322497346.db2.gz MFOVDZKDGGSDOV-NEPJUHHUSA-N 1 0 336.396 0.947 20 5 ECBDRO COC(=O)c1cc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc(C)c1[N+](=O)[O-] ZINC000566491243 322537607 /nfs/dbraw/zinc/53/76/07/322537607.db2.gz SVKBNMSFDFKGIC-AAEUAGOBSA-N 1 0 348.359 0.438 20 5 ECBDRO C[C@@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000567849042 322601664 /nfs/dbraw/zinc/60/16/64/322601664.db2.gz JVUDGIPLYOPEGE-JGVFFNPUSA-N 1 0 328.756 0.830 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000569360622 322652142 /nfs/dbraw/zinc/65/21/42/322652142.db2.gz FMHGFCPDLSSHON-YPMHNXCESA-N 1 0 334.376 0.829 20 5 ECBDRO Cc1cc(NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000569710156 322662575 /nfs/dbraw/zinc/66/25/75/322662575.db2.gz OOYSFTSGKQEJKW-RYUDHWBXSA-N 1 0 333.348 0.679 20 5 ECBDRO CCc1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000570332057 322684199 /nfs/dbraw/zinc/68/41/99/322684199.db2.gz ZFQLEJJMDXIQGS-LBPRGKRZSA-N 1 0 343.405 0.814 20 5 ECBDRO CCC(=O)N1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000572393698 322744079 /nfs/dbraw/zinc/74/40/79/322744079.db2.gz ULXIGTOBGBAGGV-STQMWFEESA-N 1 0 337.376 0.935 20 5 ECBDRO CN(C)[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000573084093 322756132 /nfs/dbraw/zinc/75/61/32/322756132.db2.gz LJCURBLMIRJENI-NVXWUHKLSA-N 1 0 347.419 0.915 20 5 ECBDRO [NH3+]CCCOC1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000573844375 322769029 /nfs/dbraw/zinc/76/90/29/322769029.db2.gz QZVZGNKCWBVEPD-UHFFFAOYSA-N 1 0 344.393 0.508 20 5 ECBDRO CC(=O)NCCC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000574309420 322777021 /nfs/dbraw/zinc/77/70/21/322777021.db2.gz ALTPSMMVSXZXTF-UHFFFAOYSA-N 1 0 329.378 0.484 20 5 ECBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000580445005 322926123 /nfs/dbraw/zinc/92/61/23/322926123.db2.gz FDTGDEDZEAXEIS-DTWKUNHWSA-N 1 0 348.363 0.329 20 5 ECBDRO Cc1c(C(=O)N2CC[C@H](C[NH3+])C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000178567733 533766128 /nfs/dbraw/zinc/76/61/28/533766128.db2.gz JPJUXXMKBOCSJR-LLVKDONJSA-N 1 0 330.348 0.905 20 5 ECBDRO NC(=O)[C@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000131154705 534446026 /nfs/dbraw/zinc/44/60/26/534446026.db2.gz NPOUYGHVJSRSQS-VHDGCEQUSA-N 1 0 337.376 0.968 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000420405245 546211979 /nfs/dbraw/zinc/21/19/79/546211979.db2.gz OQRGHHFHKOWEDH-MRVPVSSYSA-N 1 0 329.334 0.022 20 5 ECBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](C(C)(C)CO)CC1 ZINC000751226421 579364668 /nfs/dbraw/zinc/36/46/68/579364668.db2.gz WHQYUGUACKOIMT-UHFFFAOYSA-N 1 0 336.392 0.847 20 5 ECBDRO C[C@H](CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000736026994 578404050 /nfs/dbraw/zinc/40/40/50/578404050.db2.gz ULZRGBPOVVQIMT-LLVKDONJSA-N 1 0 346.395 0.823 20 5 ECBDRO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000780372457 578692549 /nfs/dbraw/zinc/69/25/49/578692549.db2.gz FYUVBWRDMVMTFZ-LLVKDONJSA-N 1 0 326.353 0.842 20 5 ECBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000773198732 579222539 /nfs/dbraw/zinc/22/25/39/579222539.db2.gz OUTCCBKPGSMQAO-LBPRGKRZSA-N 1 0 334.376 0.925 20 5 ECBDRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000762554856 579544083 /nfs/dbraw/zinc/54/40/83/579544083.db2.gz LUWVJJSWPYCCLQ-LBPRGKRZSA-N 1 0 333.341 0.079 20 5 ECBDRO O=C1[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C1CCOCC1 ZINC000747815768 579854899 /nfs/dbraw/zinc/85/48/99/579854899.db2.gz UQPDEKQBDWUVSI-CVEARBPZSA-N 1 0 349.387 0.998 20 5 ECBDRO Cc1c(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000834317264 588895433 /nfs/dbraw/zinc/89/54/33/588895433.db2.gz SKQMEPFAWGQRIL-TVQRCGJNSA-N 1 0 338.320 1.000 20 5 ECBDRO COc1cccc([C@H](O)C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000843069650 589049243 /nfs/dbraw/zinc/04/92/43/589049243.db2.gz UDIYZAOSBXDPCF-DZGCQCFKSA-N 1 0 336.348 0.484 20 5 ECBDRO Cc1nc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1[C@@H](C)O ZINC000843104752 589050572 /nfs/dbraw/zinc/05/05/72/589050572.db2.gz BCGKQDLLTUMJDP-RISCZKNCSA-N 1 0 335.364 0.699 20 5 ECBDRO Cn1c(=O)c([N+](=O)[O-])c(N2CCN(C)[C@@H](CO)C2)c2ccccc21 ZINC000894891164 586417611 /nfs/dbraw/zinc/41/76/11/586417611.db2.gz ZNDXGJOOHFKUBN-LLVKDONJSA-N 1 0 332.360 0.559 20 5 ECBDRO [NH3+]C1(CNCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000843368431 589064053 /nfs/dbraw/zinc/06/40/53/589064053.db2.gz RCZUOKRUNHCMCL-UHFFFAOYSA-N 1 0 347.419 0.714 20 5 ECBDRO COC[C@H]1C[NH2+]CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000903882808 586823353 /nfs/dbraw/zinc/82/33/53/586823353.db2.gz PXNRLIFZCWCQLN-ZIAGYGMSSA-N 1 0 325.365 0.255 20 5 ECBDRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000843476347 589070298 /nfs/dbraw/zinc/07/02/98/589070298.db2.gz DJMCCNHEMDTDGL-GFCCVEGCSA-N 1 0 325.296 0.711 20 5 ECBDRO O=C(CO[C@H]1CCC[NH2+]C1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000843492602 589071997 /nfs/dbraw/zinc/07/19/97/589071997.db2.gz SZIWFIQPBVUJGE-ZDUSSCGKSA-N 1 0 337.380 0.723 20 5 ECBDRO COC(=O)[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000839630839 586884573 /nfs/dbraw/zinc/88/45/73/586884573.db2.gz POOFWDJFLYKQKO-ZFWWWQNUSA-N 1 0 337.376 0.665 20 5 ECBDRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000839666048 586886613 /nfs/dbraw/zinc/88/66/13/586886613.db2.gz PHEFQBLUCJTWCJ-ZIAGYGMSSA-N 1 0 334.376 0.259 20 5 ECBDRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839763903 586890633 /nfs/dbraw/zinc/89/06/33/586890633.db2.gz VTQDUDQUKFUKDN-IAGOWNOFSA-N 1 0 346.431 0.928 20 5 ECBDRO CCS(=O)(=O)CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000819010628 587464475 /nfs/dbraw/zinc/46/44/75/587464475.db2.gz IJBMXGYHCNRPCU-LLVKDONJSA-N 1 0 332.378 0.359 20 5 ECBDRO C[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)NC(=O)OC(C)(C)C ZINC000819274201 587475101 /nfs/dbraw/zinc/47/51/01/587475101.db2.gz JGOFAAKMEXGCLM-ZYHUDNBSSA-N 1 0 343.384 0.655 20 5 ECBDRO CC(C)S(=O)(=O)CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000819316258 587476250 /nfs/dbraw/zinc/47/62/50/587476250.db2.gz DNGUJJAVXHQCJT-CYBMUJFWSA-N 1 0 346.405 0.747 20 5 ECBDRO CC[NH+](CC)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000840404805 587541002 /nfs/dbraw/zinc/54/10/02/587541002.db2.gz GDCAJZSYFIVSMC-YNEHKIRRSA-N 1 0 347.437 0.009 20 5 ECBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)Cn3c(C)ncc3[N+](=O)[O-])[C@H]2C1 ZINC000820592820 587543272 /nfs/dbraw/zinc/54/32/72/587543272.db2.gz UOTNPIAYOLNXNQ-QWHCGFSZSA-N 1 0 337.380 0.421 20 5 ECBDRO C[NH+](C)C[C@H]1CCCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821583380 587602612 /nfs/dbraw/zinc/60/26/12/587602612.db2.gz SYRQZLZZEZNUCP-SNVBAGLBSA-N 1 0 332.368 0.948 20 5 ECBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000823619837 587734348 /nfs/dbraw/zinc/73/43/48/587734348.db2.gz BWDZKCIFIAUBTF-JTQLQIEISA-N 1 0 330.352 0.844 20 5 ECBDRO Cc1c(C(=O)NC[C@H]2C[NH2+]CCCO2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000825183024 587921820 /nfs/dbraw/zinc/92/18/20/587921820.db2.gz FVNDBRRIOYKRCU-LLVKDONJSA-N 1 0 338.320 0.920 20 5 ECBDRO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000826535950 588068015 /nfs/dbraw/zinc/06/80/15/588068015.db2.gz HFOWQMDCPOPXQU-BBRMVZONSA-N 1 0 349.387 0.809 20 5 ECBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000830022623 588355034 /nfs/dbraw/zinc/35/50/34/588355034.db2.gz LRRNCACSVWNCGZ-RYUDHWBXSA-N 1 0 339.421 0.796 20 5 ECBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCCCN1CC[NH2+]CC1 ZINC000832217861 588475165 /nfs/dbraw/zinc/47/51/65/588475165.db2.gz QYHULUZUMKVCCC-UHFFFAOYSA-N 1 0 346.391 0.356 20 5 ECBDRO C[NH+](C)CCN1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1=O ZINC000845632239 589165774 /nfs/dbraw/zinc/16/57/74/589165774.db2.gz XZVCXCYXABKTJW-UHFFFAOYSA-N 1 0 332.364 0.453 20 5 ECBDRO C[NH+](C)CCN1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1=O ZINC000846358101 589198197 /nfs/dbraw/zinc/19/81/97/589198197.db2.gz VNEGYAWXEPFOFW-UHFFFAOYSA-N 1 0 335.364 0.023 20 5 ECBDRO CN(CC1C[NH+](C)C1)Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000853552616 589547909 /nfs/dbraw/zinc/54/79/09/589547909.db2.gz CGBMZRGDKPJXAC-UHFFFAOYSA-N 1 0 333.348 0.862 20 5 ECBDRO Cn1nccc1[C@@H](O)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000856799954 589676204 /nfs/dbraw/zinc/67/62/04/589676204.db2.gz MOHIBWXCOWDLPN-HNNXBMFYSA-N 1 0 334.380 0.970 20 5 ECBDRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000861347679 589841435 /nfs/dbraw/zinc/84/14/35/589841435.db2.gz QQAPPWNCCAXLSE-JSGCOSHPSA-N 1 0 326.353 0.834 20 5 ECBDRO COCC[N@H+]1[C@H](C)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000128844863 590439942 /nfs/dbraw/zinc/43/99/42/590439942.db2.gz NVMQHQPYRROVNZ-GUTXKFCHSA-N 1 0 341.412 0.193 20 5 ECBDRO NC(=O)C(=O)N1CC[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]2CC1 ZINC000946747383 611449271 /nfs/dbraw/zinc/44/92/71/611449271.db2.gz PNBKPAVEKVGORQ-OKILXGFUSA-N 1 0 346.387 0.751 20 5 ECBDRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)[C@H]1C(C)C ZINC000926233378 611526295 /nfs/dbraw/zinc/52/62/95/611526295.db2.gz BAYRGMORTQXRIS-XFBSOKCSSA-N 1 0 325.409 0.638 20 5 ECBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CC[NH+](CCCCCO)CC1 ZINC000931497458 611546392 /nfs/dbraw/zinc/54/63/92/611546392.db2.gz RYHGELRDPYGGPU-UHFFFAOYSA-N 1 0 338.408 0.537 20 5 ECBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2C)c1F ZINC000924976948 608679729 /nfs/dbraw/zinc/67/97/29/608679729.db2.gz AIHDBNDBXBJWRH-IUCAKERBSA-N 1 0 329.303 0.976 20 5 ECBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928092205 611673263 /nfs/dbraw/zinc/67/32/63/611673263.db2.gz GZFCXPCXQANSBB-GHMZBOCLSA-N 1 0 325.394 0.487 20 5 ECBDRO C[NH+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000914863580 609898577 /nfs/dbraw/zinc/89/85/77/609898577.db2.gz UFHYHEQDEGNOHP-UHFFFAOYSA-N 1 0 334.336 0.341 20 5 ECBDRO COC[C@H](C)[NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000916571129 609942436 /nfs/dbraw/zinc/94/24/36/609942436.db2.gz XXZXUOFNCBJQQY-ZDUSSCGKSA-N 1 0 336.392 0.868 20 5 ECBDRO COc1cc(C(=O)N(C)CC[N@H+](C)CCO)c([N+](=O)[O-])cc1F ZINC000912598908 609974404 /nfs/dbraw/zinc/97/44/04/609974404.db2.gz JLJAWTZLEQQADF-UHFFFAOYSA-N 1 0 329.328 0.739 20 5 ECBDRO CCS(=O)(=O)CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665076 611118657 /nfs/dbraw/zinc/11/86/57/611118657.db2.gz XKMREYAKWQJFRW-NSHDSACASA-N 1 0 328.394 0.911 20 5 ECBDRO CN(C(=O)Cc1cncn1C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000954095210 612653282 /nfs/dbraw/zinc/65/32/82/612653282.db2.gz GCQOPWGWXLUZFR-ZIAGYGMSSA-N 1 0 349.391 0.077 20 5 ECBDRO CN(C(=O)C(C)(C)[NH+]1CCCC1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000954956606 612818418 /nfs/dbraw/zinc/81/84/18/612818418.db2.gz RVBCTFRYWAYMNE-CHWSQXEVSA-N 1 0 338.408 0.195 20 5 ECBDRO C[N@H+](C[C@@H](O)CN1CCOCC1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246288574 612884750 /nfs/dbraw/zinc/88/47/50/612884750.db2.gz OPUGBCFTDRNYOP-HZPDHXFCSA-N 1 0 339.392 0.253 20 5 ECBDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2cc([N+](=O)[O-])cc[n+]2[O-])C1 ZINC001164728580 720506130 /nfs/dbraw/zinc/50/61/30/720506130.db2.gz GJDPRPDDSJAJQI-LBPRGKRZSA-N 1 0 332.364 0.623 20 5 ECBDRO COc1ncnc(OC)c1CNc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001167684054 737745589 /nfs/dbraw/zinc/74/55/89/737745589.db2.gz KYZQJJJSVSTRMX-UHFFFAOYSA-N 1 0 347.335 0.491 20 5 ECBDRO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4[N+](=O)[O-])C[C@H]32)nn1 ZINC001025766595 739932740 /nfs/dbraw/zinc/93/27/40/739932740.db2.gz IQTMPTYSBOFBSF-JYAVWHMHSA-N 1 0 342.359 0.584 20 5 ECBDRO COc1ccc(CC[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001025775291 739943754 /nfs/dbraw/zinc/94/37/54/739943754.db2.gz LZVGFSXQPZWJGF-UUAJXVIYSA-N 1 0 345.399 0.949 20 5 ECBDRO Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC000997776908 743805057 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GUOQMDUZFPAYPV-NWDGAFQWSA-N 1 0 332.360 0.910 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)c([N+](=O)[O-])n1 ZINC000428866607 210286790 /nfs/dbraw/zinc/28/67/90/210286790.db2.gz JSPFHEYGKJBMER-LLVKDONJSA-N 1 0 345.425 0.916 20 5 ECBDRO O=C(NC1CC[NH2+]CC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000428752246 210282168 /nfs/dbraw/zinc/28/21/68/210282168.db2.gz KMVJRSFDMOTDBC-LLVKDONJSA-N 1 0 336.348 0.661 20 5 ECBDRO C[C@@H](NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000419149744 209002344 /nfs/dbraw/zinc/00/23/44/209002344.db2.gz LKOSXDDTYKBZGD-UTUOFQBUSA-N 1 0 332.360 0.450 20 5 ECBDRO C[C@H](CC[NH3+])NC(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000419162613 209008542 /nfs/dbraw/zinc/00/85/42/209008542.db2.gz HMYFXUAMNPSUCI-MRVPVSSYSA-N 1 0 328.756 0.718 20 5 ECBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419169693 209010224 /nfs/dbraw/zinc/01/02/24/209010224.db2.gz VCXVUOANBALGQT-JTQLQIEISA-N 1 0 340.767 0.733 20 5 ECBDRO C[NH2+]CCCNC(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000419169706 209011149 /nfs/dbraw/zinc/01/11/49/209011149.db2.gz VEZWERUBYGSKPN-UHFFFAOYSA-N 1 0 328.756 0.590 20 5 ECBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000419271631 209047694 /nfs/dbraw/zinc/04/76/94/209047694.db2.gz OQYCAPJOQWXQOI-NEPJUHHUSA-N 1 0 334.376 0.888 20 5 ECBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419345746 209063824 /nfs/dbraw/zinc/06/38/24/209063824.db2.gz HLVITJQAXLYXDJ-AWEZNQCLSA-N 1 0 348.403 0.902 20 5 ECBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH2+]CC1 ZINC000419345117 209065161 /nfs/dbraw/zinc/06/51/61/209065161.db2.gz GUARNCLXEODYFK-UHFFFAOYSA-N 1 0 348.403 0.902 20 5 ECBDRO CCC[NH2+]CCNC(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000419361084 209068372 /nfs/dbraw/zinc/06/83/72/209068372.db2.gz XHUDZAVJPHMUMF-UHFFFAOYSA-N 1 0 348.363 0.203 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000261817934 286349678 /nfs/dbraw/zinc/34/96/78/286349678.db2.gz AMWSRNFFNSVLRW-GXSJLCMTSA-N 1 0 329.378 0.961 20 5 ECBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000449633607 286933367 /nfs/dbraw/zinc/93/33/67/286933367.db2.gz ZCKXXHSQAKVJCM-BDAKNGLRSA-N 1 0 348.354 0.926 20 5 ECBDRO [NH3+]C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1c1ccccc1 ZINC000261823915 165247413 /nfs/dbraw/zinc/24/74/13/165247413.db2.gz SLNRIVWAJIEYTQ-HIFRSBDPSA-N 1 0 329.360 0.992 20 5 ECBDRO CCC[NH2+]CCNC(=O)[C@@H](CC)Nc1c([N+](=O)[O-])c(C)nn1C ZINC000261892607 165259912 /nfs/dbraw/zinc/25/99/12/165259912.db2.gz QUEYQPILNJEIQK-LLVKDONJSA-N 1 0 326.401 0.943 20 5 ECBDRO CC[NH2+][C@H](C)CNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000262427389 165348417 /nfs/dbraw/zinc/34/84/17/165348417.db2.gz DAPDBTFVLKEBKT-SECBINFHSA-N 1 0 340.405 0.900 20 5 ECBDRO C[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1n1ccnc1 ZINC000269692041 263197387 /nfs/dbraw/zinc/19/73/87/263197387.db2.gz ILKISNMCIPXVRX-BPLDGKMQSA-N 1 0 334.380 0.932 20 5 ECBDRO C[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1n1ccnc1 ZINC000269692048 263197497 /nfs/dbraw/zinc/19/74/97/263197497.db2.gz ILKISNMCIPXVRX-VHDGCEQUSA-N 1 0 334.380 0.932 20 5 ECBDRO C[NH+]1CCC(O)(CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000269758124 263202430 /nfs/dbraw/zinc/20/24/30/263202430.db2.gz JBTZNDVGHHIVJS-UHFFFAOYSA-N 1 0 347.368 0.469 20 5 ECBDRO CCOC(=O)c1ccnc(NC[C@@](C)(O)C[NH+](C)C)c1[N+](=O)[O-] ZINC000269913469 263212188 /nfs/dbraw/zinc/21/21/88/263212188.db2.gz WKDYBYYWQYXVAH-CQSZACIVSA-N 1 0 326.353 0.891 20 5 ECBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[C@H]1[NH+](C)C ZINC000271131046 263301165 /nfs/dbraw/zinc/30/11/65/263301165.db2.gz MYOOKYXQWRZANT-GHMZBOCLSA-N 1 0 326.378 0.813 20 5 ECBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000272273870 263342872 /nfs/dbraw/zinc/34/28/72/263342872.db2.gz NYOAIYQSRWJEBJ-MDZLAQPJSA-N 1 0 334.376 0.909 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]C2CCC(O)CC2)cc1 ZINC000286212317 264380545 /nfs/dbraw/zinc/38/05/45/264380545.db2.gz SAPLLPHCPGXDTA-UHFFFAOYSA-N 1 0 343.405 0.766 20 5 ECBDRO COC(=O)Cc1ccc(N2CCC[N@H+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000296923894 265125657 /nfs/dbraw/zinc/12/56/57/265125657.db2.gz AVZKAJZCRSEQMA-UHFFFAOYSA-N 1 0 337.376 0.815 20 5 ECBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3S(N)(=O)=O)C[C@H]21 ZINC000375036154 277147209 /nfs/dbraw/zinc/14/72/09/277147209.db2.gz FTZDWPYQQIZRSJ-ZWNOBZJWSA-N 1 0 340.405 0.773 20 5 ECBDRO Cc1cc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c(N)c([N+](=O)[O-])c1 ZINC000264464723 280348571 /nfs/dbraw/zinc/34/85/71/280348571.db2.gz JUKAXVDKIMCTGK-LBPRGKRZSA-N 1 0 349.391 0.555 20 5 ECBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)CCC[NH2+]C ZINC000424028560 280979057 /nfs/dbraw/zinc/97/90/57/280979057.db2.gz DKYXKKYZSCKYDY-NSHDSACASA-N 1 0 326.401 0.895 20 5 ECBDRO CC(C)C(=O)NC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000337659673 297200799 /nfs/dbraw/zinc/20/07/99/297200799.db2.gz IAQOLFXOXLRCDW-UHFFFAOYSA-N 1 0 336.392 0.993 20 5 ECBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000339763216 297381019 /nfs/dbraw/zinc/38/10/19/297381019.db2.gz ZFXXAJSSTWOHCN-HZPDHXFCSA-N 1 0 337.376 0.666 20 5 ECBDRO C[NH+](C)[C@@]1(CNC(=O)c2cc([N+](=O)[O-])cnc2N)CCSC1 ZINC000351111525 298751051 /nfs/dbraw/zinc/75/10/51/298751051.db2.gz FGJMEHRXKNKVNX-CYBMUJFWSA-N 1 0 325.394 0.739 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])c([N+](=O)[O-])n1 ZINC000353245645 299026737 /nfs/dbraw/zinc/02/67/37/299026737.db2.gz ISGUWFRWVKPKID-ZJUUUORDSA-N 1 0 331.398 0.702 20 5 ECBDRO CC[NH+](CC)CCOCCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000360191419 299951971 /nfs/dbraw/zinc/95/19/71/299951971.db2.gz XHCSJVTZOUCCSA-UHFFFAOYSA-N 1 0 325.369 0.892 20 5 ECBDRO CC1(C)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@]2(CCOC2)O1 ZINC000361522218 300104383 /nfs/dbraw/zinc/10/43/83/300104383.db2.gz AGAVLEGTFMXSEL-ZFWWWQNUSA-N 1 0 340.380 0.422 20 5 ECBDRO C[N@@H+]1CCN(CCNC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000361773997 300123877 /nfs/dbraw/zinc/12/38/77/300123877.db2.gz JWHQLKFEEGGNMQ-PMPSAXMXSA-N 1 0 332.404 0.757 20 5 ECBDRO C[C@@H]1C[NH+](CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000363300740 300259115 /nfs/dbraw/zinc/25/91/15/300259115.db2.gz YGQHATLZWDWHFL-QHSBEEBCSA-N 1 0 325.409 0.999 20 5 ECBDRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000370419925 300827013 /nfs/dbraw/zinc/82/70/13/300827013.db2.gz BVQBVZRTERSFCQ-SECBINFHSA-N 1 0 335.769 0.596 20 5 ECBDRO Cc1noc([C@@H]2CCC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000075645985 436169684 /nfs/dbraw/zinc/16/96/84/436169684.db2.gz HCMKVJWISWZVMN-YPMHNXCESA-N 1 0 336.352 0.723 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)N2C[C@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000420430191 301466358 /nfs/dbraw/zinc/46/63/58/301466358.db2.gz CFELSYNEZPEMSO-KWQFWETISA-N 1 0 343.361 0.349 20 5 ECBDRO C[C@@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+](C)C ZINC000493086199 301520034 /nfs/dbraw/zinc/52/00/34/301520034.db2.gz DQQBFULINYNJKH-OJIASSBASA-N 1 0 334.376 0.791 20 5 ECBDRO COC(=O)Nc1ccc(S(=O)(=O)NC[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000497067452 301564658 /nfs/dbraw/zinc/56/46/58/301564658.db2.gz XYILDYIJOPBJKI-MRVPVSSYSA-N 1 0 346.365 0.646 20 5 ECBDRO COC1CC[NH+](CCNC(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000079671267 436303793 /nfs/dbraw/zinc/30/37/93/436303793.db2.gz FKYPNZPNRPWYDS-UHFFFAOYSA-N 1 0 339.396 0.717 20 5 ECBDRO COCc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000080554233 436322268 /nfs/dbraw/zinc/32/22/68/436322268.db2.gz QHSHNVGLHZBLTK-UHFFFAOYSA-N 1 0 336.392 0.951 20 5 ECBDRO CN(C)C[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000517833753 301713255 /nfs/dbraw/zinc/71/32/55/301713255.db2.gz KHRZOROLJYOBHU-WBVHZDCISA-N 1 0 347.419 0.915 20 5 ECBDRO C[NH+]1CCN(c2cc(CNC(=O)c3cc([N+](=O)[O-])c[nH]3)ccn2)CC1 ZINC000048330183 436448744 /nfs/dbraw/zinc/44/87/44/436448744.db2.gz QIUPLFPZFYHGPS-UHFFFAOYSA-N 1 0 344.375 1.000 20 5 ECBDRO C[NH+]1CCN(CCCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000049278078 436467488 /nfs/dbraw/zinc/46/74/88/436467488.db2.gz ZLZPTFPSTKTECG-UHFFFAOYSA-N 1 0 349.391 0.287 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(Cc2nccn2C)CC1 ZINC000106029599 436588236 /nfs/dbraw/zinc/58/82/36/436588236.db2.gz HAFFKTWCDXUNNS-UHFFFAOYSA-N 1 0 347.379 0.178 20 5 ECBDRO CC[NH+]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000112918219 436634494 /nfs/dbraw/zinc/63/44/94/436634494.db2.gz GQUPZAZBVJEOET-UHFFFAOYSA-N 1 0 336.392 0.971 20 5 ECBDRO C[NH+]1CCN(CCCNC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000061524126 436637233 /nfs/dbraw/zinc/63/72/33/436637233.db2.gz VLAYGDNJGUUKPQ-UHFFFAOYSA-N 1 0 336.392 0.727 20 5 ECBDRO CC[NH+]1CCN(CCCNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000063803176 436646698 /nfs/dbraw/zinc/64/66/98/436646698.db2.gz YGQIWVYHVPYQGD-UHFFFAOYSA-N 1 0 338.412 0.325 20 5 ECBDRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])C2)CC1 ZINC000549219782 302337646 /nfs/dbraw/zinc/33/76/46/302337646.db2.gz UUBATHPYCMIOQF-LBPRGKRZSA-N 1 0 336.396 0.558 20 5 ECBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000552024284 302381609 /nfs/dbraw/zinc/38/16/09/302381609.db2.gz HISZHKCMKYWYSE-JTQLQIEISA-N 1 0 326.353 0.518 20 5 ECBDRO C[NH+](C)[C@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1O ZINC000552439158 302392986 /nfs/dbraw/zinc/39/29/86/302392986.db2.gz BDYRFSNHVBIXLO-GJZGRUSLSA-N 1 0 345.359 0.527 20 5 ECBDRO NC(=O)NC(=O)CCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000065950578 436674175 /nfs/dbraw/zinc/67/41/75/436674175.db2.gz YJIBIQUPFOHKLN-UHFFFAOYSA-N 1 0 335.364 0.692 20 5 ECBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCN2CC[NH2+]CC2)c1C ZINC000237667881 436741355 /nfs/dbraw/zinc/74/13/55/436741355.db2.gz HMHLGKMYSLYNMM-UHFFFAOYSA-N 1 0 342.421 0.395 20 5 ECBDRO NC(=O)NC1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273321014 436745390 /nfs/dbraw/zinc/74/53/90/436745390.db2.gz KEMKJOZKALXODV-LBPRGKRZSA-N 1 0 338.364 0.467 20 5 ECBDRO O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CC[NH2+]CC1 ZINC000237851079 436746532 /nfs/dbraw/zinc/74/65/32/436746532.db2.gz MVMHHYDIKOPQNX-UHFFFAOYSA-N 1 0 326.740 0.410 20 5 ECBDRO [NH3+]CC1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000237821527 436746678 /nfs/dbraw/zinc/74/66/78/436746678.db2.gz SPDRUWWEXZISPV-UHFFFAOYSA-N 1 0 330.348 0.986 20 5 ECBDRO O=C(NCCCN1CC[NH2+]CC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000238032579 436752881 /nfs/dbraw/zinc/75/28/81/436752881.db2.gz OZELHQAYVJNGHA-UHFFFAOYSA-N 1 0 332.364 0.496 20 5 ECBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272491545 436717686 /nfs/dbraw/zinc/71/76/86/436717686.db2.gz TYSMSOFEDYEQGB-IUODEOHRSA-N 1 0 346.387 0.877 20 5 ECBDRO C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CN(C)CCO1 ZINC000125982745 436779747 /nfs/dbraw/zinc/77/97/47/436779747.db2.gz UKNIBACXWMFLQM-GXFFZTMASA-N 1 0 329.378 0.592 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)[C@H]1CN(C)CCO1 ZINC000126615655 436789029 /nfs/dbraw/zinc/78/90/29/436789029.db2.gz IBCSGBIFZKXUHP-ZYHUDNBSSA-N 1 0 325.369 0.325 20 5 ECBDRO CS(=O)(=O)c1cc(C(=O)NC[C@H]2CCCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC000130793591 436843748 /nfs/dbraw/zinc/84/37/48/436843748.db2.gz KFUSCBJYEACDIC-LLVKDONJSA-N 1 0 341.389 0.870 20 5 ECBDRO CC[N@H+](CCO)CCNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000274613552 436851826 /nfs/dbraw/zinc/85/18/26/436851826.db2.gz DBNCGHITLWAHHC-UHFFFAOYSA-N 1 0 340.380 0.717 20 5 ECBDRO O=C(NC1CC1)c1ccc(N2CCC[N@@H+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000131566019 436856007 /nfs/dbraw/zinc/85/60/07/436856007.db2.gz ACXKFYQXCFBDKH-UHFFFAOYSA-N 1 0 348.403 0.991 20 5 ECBDRO [NH3+][C@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000132312376 436862197 /nfs/dbraw/zinc/86/21/97/436862197.db2.gz QHNSDCXYIBHPDK-VHSXEESVSA-N 1 0 338.389 0.821 20 5 ECBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H](O)Cc1ccccc1 ZINC000293357065 436870278 /nfs/dbraw/zinc/87/02/78/436870278.db2.gz OCQKLDMOOFSRTE-JKSUJKDBSA-N 1 0 334.376 0.688 20 5 ECBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000251690621 436828794 /nfs/dbraw/zinc/82/87/94/436828794.db2.gz HXOZKCSWDPIXOY-NEPJUHHUSA-N 1 0 325.369 0.095 20 5 ECBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCO1 ZINC000163215772 436918212 /nfs/dbraw/zinc/91/82/12/436918212.db2.gz WAIOSQCCEVFQEF-YGRLFVJLSA-N 1 0 346.347 0.364 20 5 ECBDRO COc1cc(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000261741153 436886168 /nfs/dbraw/zinc/88/61/68/436886168.db2.gz SUMPYWUPERBQBP-ZDUSSCGKSA-N 1 0 334.376 0.723 20 5 ECBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000161509970 436891329 /nfs/dbraw/zinc/89/13/29/436891329.db2.gz WQIZDZNBBUJRRQ-AWEZNQCLSA-N 1 0 345.421 0.803 20 5 ECBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262057058 436904008 /nfs/dbraw/zinc/90/40/08/436904008.db2.gz NKQDHFIIZYAKJX-CQSZACIVSA-N 1 0 347.419 0.903 20 5 ECBDRO Cn1cccc1[C@H]1COCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000162443873 436905653 /nfs/dbraw/zinc/90/56/53/436905653.db2.gz XCESVWRQWSALCC-DZGCQCFKSA-N 1 0 335.364 0.564 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC000162606130 436910917 /nfs/dbraw/zinc/91/09/17/436910917.db2.gz SNURYBWVCPSVGF-OCCSQVGLSA-N 1 0 335.368 0.156 20 5 ECBDRO C[NH+]1CCC(NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000263695756 436977751 /nfs/dbraw/zinc/97/77/51/436977751.db2.gz HJRVSADZOFLTBH-UHFFFAOYSA-N 1 0 341.389 0.822 20 5 ECBDRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000171415415 436978348 /nfs/dbraw/zinc/97/83/48/436978348.db2.gz CXZIPBLBXJBDIM-JTQLQIEISA-N 1 0 329.378 0.833 20 5 ECBDRO NS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000170690166 436949154 /nfs/dbraw/zinc/94/91/54/436949154.db2.gz KIKBAEMPQWTOLO-GFCCVEGCSA-N 1 0 328.394 0.600 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170873600 436958324 /nfs/dbraw/zinc/95/83/24/436958324.db2.gz WYAZOAVYKVKJJU-LLVKDONJSA-N 1 0 329.378 0.928 20 5 ECBDRO COCCC[NH+]1CCC(NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000263803988 436989226 /nfs/dbraw/zinc/98/92/26/436989226.db2.gz UNIBCWKKMQBFEY-UHFFFAOYSA-N 1 0 325.369 0.408 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000172380022 437012523 /nfs/dbraw/zinc/01/25/23/437012523.db2.gz MSAGDMJKUKPFAY-GFCCVEGCSA-N 1 0 337.380 0.408 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264611673 437052818 /nfs/dbraw/zinc/05/28/18/437052818.db2.gz ZMJQVXBDADEFFA-ZDUSSCGKSA-N 1 0 334.376 0.843 20 5 ECBDRO C[NH+](C)CC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000276106929 437058387 /nfs/dbraw/zinc/05/83/87/437058387.db2.gz UVZSHXNSQBSMKH-UHFFFAOYSA-N 1 0 335.364 0.023 20 5 ECBDRO C[C@H](CO)[N@H+](C[C@H](C)O)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000276149001 437063787 /nfs/dbraw/zinc/06/37/87/437063787.db2.gz DNLCHJADQBPDPL-AGIUHOORSA-N 1 0 328.365 0.398 20 5 ECBDRO Cn1ccnc1CC1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174784529 437086472 /nfs/dbraw/zinc/08/64/72/437086472.db2.gz FMMJKNDHKBVDDM-OAHLLOKOSA-N 1 0 348.407 0.840 20 5 ECBDRO CC[N@H+](C)[C@@H]1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000302779392 437150983 /nfs/dbraw/zinc/15/09/83/437150983.db2.gz QTDAZZDTLONNQL-SNVBAGLBSA-N 1 0 328.394 0.773 20 5 ECBDRO CNS(=O)(=O)c1ccc(N2C[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000316722930 437189614 /nfs/dbraw/zinc/18/96/14/437189614.db2.gz YEDWQABPPJTXTN-UWVGGRQHSA-N 1 0 326.378 0.159 20 5 ECBDRO C[C@H]1C[N@H+](CCCNC(=O)CCn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000277435846 437219150 /nfs/dbraw/zinc/21/91/50/437219150.db2.gz GQVVHJHJHWLQRA-ZDUSSCGKSA-N 1 0 339.396 0.799 20 5 ECBDRO [NH3+][C@H](CC(F)F)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000323936369 437225495 /nfs/dbraw/zinc/22/54/95/437225495.db2.gz RUXFQEAAWCDNQV-SNVBAGLBSA-N 1 0 329.307 0.621 20 5 ECBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000179008968 437246887 /nfs/dbraw/zinc/24/68/87/437246887.db2.gz ZIDUEHGCMUYFBZ-NSHDSACASA-N 1 0 330.348 0.857 20 5 ECBDRO C[N@H+]1C[C@H]2CN(c3ccc([N+](=O)[O-])cc3S(C)(=O)=O)C[C@H]2C1 ZINC000278774941 437342250 /nfs/dbraw/zinc/34/22/50/437342250.db2.gz OSRUJPONBFVUNS-PHIMTYICSA-N 1 0 325.390 0.996 20 5 ECBDRO C[N@H+]1C[C@H]2CN(c3cc([N+](=O)[O-])ccc3S(N)(=O)=O)C[C@H]2C1 ZINC000278740558 437338282 /nfs/dbraw/zinc/33/82/82/437338282.db2.gz LRKSFDUIVIFQPY-AOOOYVTPSA-N 1 0 326.378 0.240 20 5 ECBDRO CC(C)(C)[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(N)=O ZINC000182156198 437339357 /nfs/dbraw/zinc/33/93/57/437339357.db2.gz INAOHBAFDZRONT-MFKMUULPSA-N 1 0 325.365 0.824 20 5 ECBDRO CN(C)C(=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000268357761 437405064 /nfs/dbraw/zinc/40/50/64/437405064.db2.gz BOAWWBIPWTYARE-UHFFFAOYSA-N 1 0 348.363 0.731 20 5 ECBDRO C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@@H](C)[NH+]1C ZINC000338790258 437417049 /nfs/dbraw/zinc/41/70/49/437417049.db2.gz XOZAFLOHEPVLCS-NXEZZACHSA-N 1 0 328.394 0.771 20 5 ECBDRO O=C1NC(=O)[C@@]2(CCC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)N1 ZINC000279129813 437377953 /nfs/dbraw/zinc/37/79/53/437377953.db2.gz VWKKOFMTDLVTHK-HNNXBMFYSA-N 1 0 334.332 0.648 20 5 ECBDRO COCCOCC[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000289071736 437379000 /nfs/dbraw/zinc/37/90/00/437379000.db2.gz SDFMGHIUZALJKA-ZDUSSCGKSA-N 1 0 328.365 0.929 20 5 ECBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000183626276 437388804 /nfs/dbraw/zinc/38/88/04/437388804.db2.gz UTUYWMCPXKYZNU-NSHDSACASA-N 1 0 336.396 0.328 20 5 ECBDRO CCn1cc(S(=O)(=O)NCCC[NH+](CC)CC)c([N+](=O)[O-])n1 ZINC000339046953 437436876 /nfs/dbraw/zinc/43/68/76/437436876.db2.gz KGFSSLWOCMXNCJ-UHFFFAOYSA-N 1 0 333.414 0.821 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000290021879 437457708 /nfs/dbraw/zinc/45/77/08/437457708.db2.gz FLVKJXMMHLJANQ-FPMFFAJLSA-N 1 0 346.387 0.781 20 5 ECBDRO CC(C)(CC(N)=O)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000186232939 437466043 /nfs/dbraw/zinc/46/60/43/437466043.db2.gz ANCQPLRMXKOFNT-UHFFFAOYSA-N 1 0 329.378 0.612 20 5 ECBDRO C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000187724981 437512835 /nfs/dbraw/zinc/51/28/35/437512835.db2.gz YODXPWAKSLADKN-KGLIPLIRSA-N 1 0 339.392 0.333 20 5 ECBDRO CCn1cc(S(=O)(=O)NCC2([NH+](C)C)CCCC2)c([N+](=O)[O-])n1 ZINC000330445184 437513731 /nfs/dbraw/zinc/51/37/31/437513731.db2.gz DCDZZESPGDASRP-UHFFFAOYSA-N 1 0 345.425 0.964 20 5 ECBDRO CCn1cc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)c([N+](=O)[O-])n1 ZINC000330458491 437516731 /nfs/dbraw/zinc/51/67/31/437516731.db2.gz RWARCXDGTHKWAK-UHFFFAOYSA-N 1 0 331.398 0.526 20 5 ECBDRO COc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000360753845 437646349 /nfs/dbraw/zinc/64/63/49/437646349.db2.gz LVXGLODVVJCGGC-SNVBAGLBSA-N 1 0 336.348 0.610 20 5 ECBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000331166940 437704010 /nfs/dbraw/zinc/70/40/10/437704010.db2.gz YKMDSTRWWVTKKA-LLVKDONJSA-N 1 0 342.346 0.778 20 5 ECBDRO C[NH+](C)CCN1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000363000812 437765119 /nfs/dbraw/zinc/76/51/19/437765119.db2.gz PZDURJQUSJCXAH-UHFFFAOYSA-N 1 0 335.408 0.767 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000423585966 437768810 /nfs/dbraw/zinc/76/88/10/437768810.db2.gz CGAUHOLVDXDYSX-WCQYABFASA-N 1 0 334.376 0.747 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)ccc1[N+](=O)[O-] ZINC000423595746 437772790 /nfs/dbraw/zinc/77/27/90/437772790.db2.gz QNEPJJZWDWMOQB-OKILXGFUSA-N 1 0 346.387 0.986 20 5 ECBDRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000423600200 437773066 /nfs/dbraw/zinc/77/30/66/437773066.db2.gz YSMWQDQTUWQQIJ-OAHLLOKOSA-N 1 0 348.403 0.806 20 5 ECBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000415338405 437785365 /nfs/dbraw/zinc/78/53/65/437785365.db2.gz ZBZLFNMGJDZEFV-UHFFFAOYSA-N 1 0 349.391 0.172 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000415534288 437815726 /nfs/dbraw/zinc/81/57/26/437815726.db2.gz XUZKADJMBACKMR-VHSXEESVSA-N 1 0 336.348 0.738 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000370776533 437834552 /nfs/dbraw/zinc/83/45/52/437834552.db2.gz TZAXHRJYDZBLHD-GXTWGEPZSA-N 1 0 337.380 0.408 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000415781524 437858337 /nfs/dbraw/zinc/85/83/37/437858337.db2.gz MQOWBNGVCFJSCB-JQWIXIFHSA-N 1 0 348.359 0.752 20 5 ECBDRO O=C(CC[N@@H+]1CCN2C(=O)NC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000365802239 437975615 /nfs/dbraw/zinc/97/56/15/437975615.db2.gz BCULMCUWKKCKFE-ZDUSSCGKSA-N 1 0 333.348 0.633 20 5 ECBDRO COC(=O)c1cnc(N2CC[C@H](OCC[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000357695140 438045953 /nfs/dbraw/zinc/04/59/53/438045953.db2.gz IPTGFUIXKGBZER-LBPRGKRZSA-N 1 0 338.364 0.933 20 5 ECBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000348001913 437996410 /nfs/dbraw/zinc/99/64/10/437996410.db2.gz DSWHNWXIFBARPS-RYUDHWBXSA-N 1 0 337.380 0.654 20 5 ECBDRO COc1cc(CCNC(=O)N2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000416919222 438000774 /nfs/dbraw/zinc/00/07/74/438000774.db2.gz MDRSUZCWUGJGRL-LLVKDONJSA-N 1 0 338.364 0.897 20 5 ECBDRO [NH3+]C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C1CC1 ZINC000429567048 438101345 /nfs/dbraw/zinc/10/13/45/438101345.db2.gz FEMJXUYNDZVXKN-WDEREUQCSA-N 1 0 336.348 0.646 20 5 ECBDRO O=C(NC[C@@H]1CC[NH2+]C1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000342746080 438056337 /nfs/dbraw/zinc/05/63/37/438056337.db2.gz VLQWSHBUWHYXGI-MNOVXSKESA-N 1 0 336.348 0.518 20 5 ECBDRO C[C@H](O)COC(=O)CC[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000366653649 438109730 /nfs/dbraw/zinc/10/97/30/438109730.db2.gz MTBVYNMGEFIWKE-NWDGAFQWSA-N 1 0 326.353 0.742 20 5 ECBDRO CC[C@H]([NH3+])CNC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418707815 438176773 /nfs/dbraw/zinc/17/67/73/438176773.db2.gz GMOJCEMKUDPPSX-LBPRGKRZSA-N 1 0 349.391 0.800 20 5 ECBDRO C[C@H](NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000418781921 438188914 /nfs/dbraw/zinc/18/89/14/438188914.db2.gz MPQDYCCPTZADSH-YVEFUNNKSA-N 1 0 346.387 0.984 20 5 ECBDRO Nc1nc(NCC(=O)NCC[NH+]2CCCCCC2)ncc1[N+](=O)[O-] ZINC000431486447 438160180 /nfs/dbraw/zinc/16/01/80/438160180.db2.gz VHZQQKQTXGKVNK-UHFFFAOYSA-N 1 0 337.384 0.371 20 5 ECBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000374829933 438232255 /nfs/dbraw/zinc/23/22/55/438232255.db2.gz PVELPOWZSUUFBO-UWVGGRQHSA-N 1 0 338.339 0.909 20 5 ECBDRO O=C1NC[C@@H]2C[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC[C@H]12 ZINC000368073464 438283714 /nfs/dbraw/zinc/28/37/14/438283714.db2.gz ZYAWYDNVDXHFGH-UPJWGTAASA-N 1 0 335.360 0.402 20 5 ECBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000351731365 438328842 /nfs/dbraw/zinc/32/88/42/438328842.db2.gz RGOAVKNPENFPTD-LERXQTSPSA-N 1 0 349.391 0.896 20 5 ECBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000351766511 438334944 /nfs/dbraw/zinc/33/49/44/438334944.db2.gz WLULDJKLWILXII-PWSUYJOCSA-N 1 0 330.348 0.985 20 5 ECBDRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000419046072 438302224 /nfs/dbraw/zinc/30/22/24/438302224.db2.gz XKDWUUNTBHGDSQ-CYBMUJFWSA-N 1 0 336.392 0.743 20 5 ECBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000352022997 438371266 /nfs/dbraw/zinc/37/12/66/438371266.db2.gz STFKPOYODNKEKV-VXGBXAGGSA-N 1 0 337.332 0.320 20 5 ECBDRO CCn1cc(S(=O)(=O)NC2CCC([NH+](C)C)CC2)c([N+](=O)[O-])n1 ZINC000420745448 438433679 /nfs/dbraw/zinc/43/36/79/438433679.db2.gz MLYJECLRMMKVRQ-UHFFFAOYSA-N 1 0 345.425 0.962 20 5 ECBDRO O=C(CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])N1CC[NH2+]CC1 ZINC000391598250 438439866 /nfs/dbraw/zinc/43/98/66/438439866.db2.gz PYTXMPQBINKNAX-UHFFFAOYSA-N 1 0 333.270 0.852 20 5 ECBDRO C[C@@H]([NH3+])[C@H](C)NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000420435382 438406809 /nfs/dbraw/zinc/40/68/09/438406809.db2.gz GPPUFKGMBUZGBQ-SFYZADRCSA-N 1 0 331.350 0.380 20 5 ECBDRO CN(C)C(=O)CC[NH+]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420603086 438412358 /nfs/dbraw/zinc/41/23/58/438412358.db2.gz PKPBKWALVPBICK-UHFFFAOYSA-N 1 0 349.391 0.294 20 5 ECBDRO COc1ccc(S(=O)(=O)N[C@H](CC[NH3+])C(F)F)c([N+](=O)[O-])c1 ZINC000383340955 438415584 /nfs/dbraw/zinc/41/55/84/438415584.db2.gz XXUQHMCHRKVJAY-MRVPVSSYSA-N 1 0 339.320 0.864 20 5 ECBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]CC[C@H]1CCOC1 ZINC000438191495 438469793 /nfs/dbraw/zinc/46/97/93/438469793.db2.gz QTYDKONIRTXHEA-LBPRGKRZSA-N 1 0 343.405 0.889 20 5 ECBDRO CN1CC[NH2+]C[C@@H]1CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000394772551 438446130 /nfs/dbraw/zinc/44/61/30/438446130.db2.gz BYVDFKDDNXIAEU-SNVBAGLBSA-N 1 0 328.394 0.314 20 5 ECBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000369328340 438454563 /nfs/dbraw/zinc/45/45/63/438454563.db2.gz AXYVTTLVAUQKHV-CABCVRRESA-N 1 0 343.343 0.593 20 5 ECBDRO O=C(N[C@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1)C1CCC1 ZINC000369825416 438521401 /nfs/dbraw/zinc/52/14/01/438521401.db2.gz IRWYYHBDAWDKBJ-GXTWGEPZSA-N 1 0 337.380 0.143 20 5 ECBDRO CC[NH+]1CCN([C@H](C)CNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000353867333 438546830 /nfs/dbraw/zinc/54/68/30/438546830.db2.gz DMIFATAWDHXPHG-CYBMUJFWSA-N 1 0 338.412 0.324 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C[C@@H](C)[NH3+])CC1 ZINC000442663790 438616125 /nfs/dbraw/zinc/61/61/25/438616125.db2.gz UIMLETMQXQBLBX-GFCCVEGCSA-N 1 0 342.421 0.557 20 5 ECBDRO C[C@@H]1C[C@@H](C[NH3+])CN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000442751530 438621895 /nfs/dbraw/zinc/62/18/95/438621895.db2.gz CCHNHEWKASFPIK-ZJUUUORDSA-N 1 0 336.348 0.931 20 5 ECBDRO Nc1c(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc(F)cc1[N+](=O)[O-] ZINC000452388718 438660212 /nfs/dbraw/zinc/66/02/12/438660212.db2.gz KFCVSBQOJFVFLD-NSHDSACASA-N 1 0 340.355 0.893 20 5 ECBDRO CC(C)(C(=O)NC[C@H]1CCCC[N@@H+]1CCO)n1cc([N+](=O)[O-])cn1 ZINC000452797301 438675466 /nfs/dbraw/zinc/67/54/66/438675466.db2.gz MNOPYFNCVIYSRD-GFCCVEGCSA-N 1 0 339.396 0.489 20 5 ECBDRO O=C(C[NH2+][C@@H](CO)[C@@H]1CCCO1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000447919542 438681762 /nfs/dbraw/zinc/68/17/62/438681762.db2.gz FHKBOUMHULZVPM-ZFWWWQNUSA-N 1 0 335.360 0.613 20 5 ECBDRO Nc1nccc(C(=O)N2CC[NH+](C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000548387689 438728374 /nfs/dbraw/zinc/72/83/74/438728374.db2.gz OMGFMJLKTAUZQW-UHFFFAOYSA-N 1 0 335.364 0.509 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H](CO)Cc1cccnc1 ZINC000575312468 438744708 /nfs/dbraw/zinc/74/47/08/438744708.db2.gz SONSCNTXGMPEQV-HUUCEWRRSA-N 1 0 347.371 0.923 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H](CO)c2ccc(F)cc2)c1 ZINC000575749244 438753996 /nfs/dbraw/zinc/75/39/96/438753996.db2.gz OLFHLEGKPLYPOJ-WFASDCNBSA-N 1 0 338.339 0.657 20 5 ECBDRO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000576631198 438790888 /nfs/dbraw/zinc/79/08/88/438790888.db2.gz YVVSBCFAZDOQLM-IINYFYTJSA-N 1 0 336.396 0.723 20 5 ECBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC([NH2+]CCO)CC1 ZINC000601136101 438824286 /nfs/dbraw/zinc/82/42/86/438824286.db2.gz OOOHTUOHHSIKRZ-UHFFFAOYSA-N 1 0 337.302 0.898 20 5 ECBDRO C[C@H]1C[C@@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC[NH2+]1 ZINC000577355658 438835266 /nfs/dbraw/zinc/83/52/66/438835266.db2.gz NUOCNSAQYUENPZ-STQMWFEESA-N 1 0 348.407 0.962 20 5 ECBDRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595630948 438837439 /nfs/dbraw/zinc/83/74/39/438837439.db2.gz DMEQLQMZIRKXIQ-MHEUCROKSA-N 1 0 342.396 0.308 20 5 ECBDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595664302 438842751 /nfs/dbraw/zinc/84/27/51/438842751.db2.gz OXKRNVITWSIMII-UHIISALHSA-N 1 0 340.332 0.255 20 5 ECBDRO CCCc1[nH]nc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)c1[N+](=O)[O-] ZINC000588861922 438847206 /nfs/dbraw/zinc/84/72/06/438847206.db2.gz YNWXNFAVEHXEEL-MNOVXSKESA-N 1 0 337.380 0.552 20 5 ECBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@@H](CO)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000588966339 438850403 /nfs/dbraw/zinc/85/04/03/438850403.db2.gz PYIWOACXCLCAMS-SLEUVZQESA-N 1 0 337.376 0.905 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(O)(CO)CC2)c1 ZINC000595737555 438853512 /nfs/dbraw/zinc/85/35/12/438853512.db2.gz SONJEDLMVDHUCQ-CYBMUJFWSA-N 1 0 326.349 0.154 20 5 ECBDRO NS(=O)(=O)c1ccc(N2CC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000589113999 438856173 /nfs/dbraw/zinc/85/61/73/438856173.db2.gz MEMJCCVPHFROLK-GFCCVEGCSA-N 1 0 340.405 0.917 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)NCC23CC(C2)C[NH2+]3)ccc1[N+](=O)[O-] ZINC000595948107 438896127 /nfs/dbraw/zinc/89/61/27/438896127.db2.gz SHHLNIRFEICCNC-UHFFFAOYSA-N 1 0 332.360 0.501 20 5 ECBDRO C[NH2+]CCCC(=O)N1CCC(NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000595980853 438905672 /nfs/dbraw/zinc/90/56/72/438905672.db2.gz LPFRDHVAOQORPW-UHFFFAOYSA-N 1 0 338.364 0.908 20 5 ECBDRO O=C1CCCN1C[C@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595833128 438867665 /nfs/dbraw/zinc/86/76/65/438867665.db2.gz RZQGDUWHLVFGTI-JSGCOSHPSA-N 1 0 337.380 0.097 20 5 ECBDRO O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000515621284 438877216 /nfs/dbraw/zinc/87/72/16/438877216.db2.gz VLGWYZHVUVEHQH-CHWSQXEVSA-N 1 0 332.360 0.279 20 5 ECBDRO O=C(CN1C(=O)NC2(CC[NH2+]CC2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000564925747 438887463 /nfs/dbraw/zinc/88/74/63/438887463.db2.gz GTXSGHWXUNAROT-UHFFFAOYSA-N 1 0 332.316 0.452 20 5 ECBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000516126171 438892898 /nfs/dbraw/zinc/89/28/98/438892898.db2.gz AWECSANSGFGKDE-NSHDSACASA-N 1 0 326.378 0.849 20 5 ECBDRO C[NH+](C)[C@@]1(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])CCSC1 ZINC000565184598 438924286 /nfs/dbraw/zinc/92/42/86/438924286.db2.gz BBENCIKKKJEEKN-CYBMUJFWSA-N 1 0 325.394 0.739 20 5 ECBDRO CC[N@@H+]1CCCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596120585 438928088 /nfs/dbraw/zinc/92/80/88/438928088.db2.gz VPWHCXPZEVHMKK-UHFFFAOYSA-N 1 0 328.394 0.774 20 5 ECBDRO CC[NH+]1CCN([C@@H]2CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)C2)CC1 ZINC000596122130 438928573 /nfs/dbraw/zinc/92/85/73/438928573.db2.gz JMOSCLCVRQZVNL-CQSZACIVSA-N 1 0 347.419 0.910 20 5 ECBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590582787 438934619 /nfs/dbraw/zinc/93/46/19/438934619.db2.gz UQYKOEONBZNNIH-GXFFZTMASA-N 1 0 340.405 0.773 20 5 ECBDRO Cc1nn(C)c(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000590565676 438934760 /nfs/dbraw/zinc/93/47/60/438934760.db2.gz PJNJJYAVWKFSKP-NEPJUHHUSA-N 1 0 337.380 0.572 20 5 ECBDRO CN(CCC[NH3+])C(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000595986628 438908752 /nfs/dbraw/zinc/90/87/52/438908752.db2.gz JABCBCADHMRAMK-UHFFFAOYSA-N 1 0 334.376 0.893 20 5 ECBDRO CC[N@@H+]1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)[C@H]2C1 ZINC000596246800 438946109 /nfs/dbraw/zinc/94/61/09/438946109.db2.gz ZLOCUNJAXZLDOO-LSDHHAIUSA-N 1 0 334.376 0.993 20 5 ECBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)C[C@@H]21 ZINC000590776515 438958138 /nfs/dbraw/zinc/95/81/38/438958138.db2.gz GQDDDOWTLSRFPV-ABAIWWIYSA-N 1 0 342.359 0.952 20 5 ECBDRO Nc1nc(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)ncc1[N+](=O)[O-] ZINC000596422159 438960710 /nfs/dbraw/zinc/96/07/10/438960710.db2.gz BLSVRDKXPLETJK-ZDUSSCGKSA-N 1 0 344.375 0.568 20 5 ECBDRO O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000601980282 438995963 /nfs/dbraw/zinc/99/59/63/438995963.db2.gz GLISONJZYASMJJ-NEPJUHHUSA-N 1 0 334.380 0.410 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CC[NH2+]C[C@H]2C(F)F)cc1 ZINC000580431980 439089669 /nfs/dbraw/zinc/08/96/69/439089669.db2.gz DLIWTNWWVCYLOM-LBPRGKRZSA-N 1 0 349.359 0.907 20 5 ECBDRO NC(=O)c1cccc(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000591735922 439078623 /nfs/dbraw/zinc/07/86/23/439078623.db2.gz YJDZPUHFAXZGPE-AWEZNQCLSA-N 1 0 333.348 0.083 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCC2CS(=O)(=O)C2)c1 ZINC000591762904 439081489 /nfs/dbraw/zinc/08/14/89/439081489.db2.gz CTFIPOIUEQOKIR-CYBMUJFWSA-N 1 0 344.389 0.359 20 5 ECBDRO O=C1C[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000581126442 439171310 /nfs/dbraw/zinc/17/13/10/439171310.db2.gz LVBVIGILGVEBTL-FZMZJTMJSA-N 1 0 335.360 0.687 20 5 ECBDRO COC(=O)CC[N@@H+]1CCN(CCn2c(C)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000602803273 439137219 /nfs/dbraw/zinc/13/72/19/439137219.db2.gz BKGXTJYVPWJMGI-GFCCVEGCSA-N 1 0 339.396 0.669 20 5 ECBDRO Cn1cc(C(=O)N[C@H](CO)C[NH+](C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597655582 439149680 /nfs/dbraw/zinc/14/96/80/439149680.db2.gz YSBNZJMUEYTDDY-LBPRGKRZSA-N 1 0 347.375 0.648 20 5 ECBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C[C@H](O)CN3CCOCC3)nc2c1 ZINC000580947644 439150647 /nfs/dbraw/zinc/15/06/47/439150647.db2.gz JZZSBIWXRXOCAY-LBPRGKRZSA-N 1 0 335.364 0.254 20 5 ECBDRO C[C@H]1CN(CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCO1 ZINC000523244647 439163129 /nfs/dbraw/zinc/16/31/29/439163129.db2.gz ZZQCOHXIIBIMJD-NSHDSACASA-N 1 0 336.348 0.370 20 5 ECBDRO Cc1ccc(C)c(S(=O)(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000592373783 439211970 /nfs/dbraw/zinc/21/19/70/439211970.db2.gz BLSZTXVTQHKZHX-RYUDHWBXSA-N 1 0 343.405 0.948 20 5 ECBDRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000568805266 439279195 /nfs/dbraw/zinc/27/91/95/439279195.db2.gz RMFYWWVPCYQSGC-MRXNPFEDSA-N 1 0 345.359 0.658 20 5 ECBDRO CC1(C)C[NH2+]CCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000592473461 439236254 /nfs/dbraw/zinc/23/62/54/439236254.db2.gz QBRAFZQBOHMIHK-UHFFFAOYSA-N 1 0 349.391 0.604 20 5 ECBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCCO1 ZINC000568392285 439244122 /nfs/dbraw/zinc/24/41/22/439244122.db2.gz PWUACMJIDCOJBY-ZDUSSCGKSA-N 1 0 345.359 0.970 20 5 ECBDRO Cc1c(C(=O)N[C@H](C)[C@@H](C)[NH3+])cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000592556892 439252199 /nfs/dbraw/zinc/25/21/99/439252199.db2.gz MROPXHHECAWQBC-HTQZYQBOSA-N 1 0 330.366 0.016 20 5 ECBDRO [NH3+][C@@H]1C[C@@H]2CN(c3nccc4cc([N+](=O)[O-])ccc43)CCN2C1=O ZINC000568532500 439257277 /nfs/dbraw/zinc/25/72/77/439257277.db2.gz GYCFPJMJBURYTH-TZMCWYRMSA-N 1 0 327.344 0.891 20 5 ECBDRO C[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598896425 439323069 /nfs/dbraw/zinc/32/30/69/439323069.db2.gz IKKFXMZFLNIFNK-GFCCVEGCSA-N 1 0 335.364 0.927 20 5 ECBDRO COc1ccc(CN2CCN(CC[NH+](C)C)C(=O)C2)cc1[N+](=O)[O-] ZINC000593052326 439335111 /nfs/dbraw/zinc/33/51/11/439335111.db2.gz PWSLXMKSKNMELE-UHFFFAOYSA-N 1 0 336.392 0.809 20 5 ECBDRO [NH3+][C@@H]1C[C@@H]2CN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])CCN2C1=O ZINC000568883587 439286069 /nfs/dbraw/zinc/28/60/69/439286069.db2.gz NEHMNZIEGCXLHE-HTQZYQBOSA-N 1 0 345.281 0.757 20 5 ECBDRO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NCC1CC[NH2+]CC1 ZINC000598662013 439298776 /nfs/dbraw/zinc/29/87/76/439298776.db2.gz MHVBRLYXQKLAQT-UHFFFAOYSA-N 1 0 335.364 0.832 20 5 ECBDRO COc1ccc(S(=O)(=O)NCC2([NH3+])CCOCC2)c([N+](=O)[O-])c1 ZINC000599105213 439359071 /nfs/dbraw/zinc/35/90/71/439359071.db2.gz WVYMQFKIWJXQMH-UHFFFAOYSA-N 1 0 345.377 0.390 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000599106756 439360737 /nfs/dbraw/zinc/36/07/37/439360737.db2.gz GYHWWEVXXMAUCE-MNOVXSKESA-N 1 0 343.409 0.339 20 5 ECBDRO CC(C)[NH2+]CCCNC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000569912338 439374060 /nfs/dbraw/zinc/37/40/60/439374060.db2.gz HBFHAYYLTSISTR-UHFFFAOYSA-N 1 0 336.392 0.758 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)n1 ZINC000599242499 439398335 /nfs/dbraw/zinc/39/83/35/439398335.db2.gz WERLXZBNCXDQHR-NSHDSACASA-N 1 0 343.409 0.435 20 5 ECBDRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599306596 439425921 /nfs/dbraw/zinc/42/59/21/439425921.db2.gz HKPOIVHVZVNCPP-JTQLQIEISA-N 1 0 331.398 0.481 20 5 ECBDRO O=C(NC[C@H]1CCC[NH2+]1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000583193847 439432546 /nfs/dbraw/zinc/43/25/46/439432546.db2.gz XXVAAUCYDMXKBY-GFCCVEGCSA-N 1 0 334.380 0.573 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCCC[N@H+](C)C2)n1 ZINC000599414920 439461964 /nfs/dbraw/zinc/46/19/64/439461964.db2.gz KKIVQKMJXUBAEV-SNVBAGLBSA-N 1 0 331.398 0.339 20 5 ECBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594028014 439510246 /nfs/dbraw/zinc/51/02/46/439510246.db2.gz YXDDBIALWPVGOQ-BYCMXARLSA-N 1 0 334.376 0.673 20 5 ECBDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3ccnc(N)c3[N+](=O)[O-])CC2)C1 ZINC000594293590 439537872 /nfs/dbraw/zinc/53/78/72/439537872.db2.gz YCPCQUMUYNOFLN-LBPRGKRZSA-N 1 0 348.407 0.424 20 5 ECBDRO COC(=O)c1cc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000594391700 439553603 /nfs/dbraw/zinc/55/36/03/439553603.db2.gz CFYOSOFHTNMXIF-UONOGXRCSA-N 1 0 349.343 0.272 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2cn3ccccc3n2)c1 ZINC000572148837 439560724 /nfs/dbraw/zinc/56/07/24/439560724.db2.gz DYMHBLZXDBTLJR-CQSZACIVSA-N 1 0 330.348 0.632 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594094915 439514473 /nfs/dbraw/zinc/51/44/73/439514473.db2.gz QTEDXOOUGWWOFR-NWDGAFQWSA-N 1 0 336.348 0.886 20 5 ECBDRO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000609393468 439569400 /nfs/dbraw/zinc/56/94/00/439569400.db2.gz WJNFKBWIWDAOOS-AWEZNQCLSA-N 1 0 346.387 0.925 20 5 ECBDRO CNc1ccc(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000599936809 439579445 /nfs/dbraw/zinc/57/94/45/439579445.db2.gz CANBKGUETCHHSZ-STQMWFEESA-N 1 0 334.376 0.918 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000599938602 439581343 /nfs/dbraw/zinc/58/13/43/439581343.db2.gz QMCDZRXWUOIZFN-QWHCGFSZSA-N 1 0 335.360 0.885 20 5 ECBDRO [NH3+][C@@H]1C[C@@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc43)CCN2C1=O ZINC000594694853 439591804 /nfs/dbraw/zinc/59/18/04/439591804.db2.gz WEVKCAAZWCNOAB-ZYHUDNBSSA-N 1 0 328.332 0.286 20 5 ECBDRO CC(=O)NCc1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000594718277 439595916 /nfs/dbraw/zinc/59/59/16/439595916.db2.gz MZFOBVNYQZWWLY-INIZCTEOSA-N 1 0 347.375 0.578 20 5 ECBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594736730 439599433 /nfs/dbraw/zinc/59/94/33/439599433.db2.gz QWAQQDNGCPNKRR-KGLIPLIRSA-N 1 0 334.376 0.737 20 5 ECBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCCO1 ZINC000572720263 439605850 /nfs/dbraw/zinc/60/58/50/439605850.db2.gz MHWLIWUKBOJOEH-CQSZACIVSA-N 1 0 345.359 0.970 20 5 ECBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000610260680 439607183 /nfs/dbraw/zinc/60/71/83/439607183.db2.gz GIKXBVRUXFKGMC-JTQLQIEISA-N 1 0 326.378 0.752 20 5 ECBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610265102 439608007 /nfs/dbraw/zinc/60/80/07/439608007.db2.gz PFTAFYDIZHYHQJ-GHMZBOCLSA-N 1 0 328.394 0.951 20 5 ECBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000573578961 439653934 /nfs/dbraw/zinc/65/39/34/439653934.db2.gz JXDFVEVOUMEBGD-NEPJUHHUSA-N 1 0 333.348 0.679 20 5 ECBDRO CCn1cc(S(=O)(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)c([N+](=O)[O-])n1 ZINC000611106741 439673421 /nfs/dbraw/zinc/67/34/21/439673421.db2.gz FLFHGKHQPIXMOY-ZJUUUORDSA-N 1 0 343.409 0.715 20 5 ECBDRO CC(C)[C@]1(CO)CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000339708212 321000819 /nfs/dbraw/zinc/00/08/19/321000819.db2.gz DHEZXYANNFIAMP-HUUCEWRRSA-N 1 0 326.397 0.883 20 5 ECBDRO CC(=O)NC1CCC([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000344133928 321141794 /nfs/dbraw/zinc/14/17/94/321141794.db2.gz ZCMVDXQORKMADN-PIMMBPRGSA-N 1 0 339.396 0.531 20 5 ECBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000347380876 321238104 /nfs/dbraw/zinc/23/81/04/321238104.db2.gz AMRUDDOZYCTWFV-GFCCVEGCSA-N 1 0 339.396 0.901 20 5 ECBDRO C[C@H](C[NH3+])NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000347635304 321246756 /nfs/dbraw/zinc/24/67/56/321246756.db2.gz VCDBVWAGUPIELE-ZCFIWIBFSA-N 1 0 338.183 0.983 20 5 ECBDRO CCC[N@H+](CCN1CCCC1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352876691 321374341 /nfs/dbraw/zinc/37/43/41/321374341.db2.gz OLQOHCBROGEVAO-OAHLLOKOSA-N 1 0 325.413 0.960 20 5 ECBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000354000200 321431027 /nfs/dbraw/zinc/43/10/27/321431027.db2.gz BEKZIUXQENUKKL-ZDUSSCGKSA-N 1 0 349.391 0.899 20 5 ECBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)C[C@H]1[NH+]1CCCC1 ZINC000361620191 321617606 /nfs/dbraw/zinc/61/76/06/321617606.db2.gz DZVKVHUZPITYSR-NEPJUHHUSA-N 1 0 339.421 0.980 20 5 ECBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000373485701 321810808 /nfs/dbraw/zinc/81/08/08/321810808.db2.gz RMZPEQNQSZXHJW-VIFPVBQESA-N 1 0 349.796 0.905 20 5 ECBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000532790664 322061318 /nfs/dbraw/zinc/06/13/18/322061318.db2.gz AVHOJWBMQCCIDS-AWEZNQCLSA-N 1 0 325.321 0.366 20 5 ECBDRO C[C@@H]1CN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC[NH2+]1 ZINC000562961965 322289806 /nfs/dbraw/zinc/28/98/06/322289806.db2.gz KZIOCBJUPSPESM-LLVKDONJSA-N 1 0 332.360 0.300 20 5 ECBDRO C[S@@](=O)C1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000563002972 322292499 /nfs/dbraw/zinc/29/24/99/322292499.db2.gz MGZOHQLQOKZSBJ-RKFFSXRUSA-N 1 0 328.390 0.835 20 5 ECBDRO C[C@@H](CN1CCOCC1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564118498 322363083 /nfs/dbraw/zinc/36/30/83/322363083.db2.gz IZOZVOKCYODOAM-UONOGXRCSA-N 1 0 339.392 0.645 20 5 ECBDRO O=C(CC[NH2+][C@H]1CCc2nnnn2CC1)Nc1ccccc1[N+](=O)[O-] ZINC000565417171 322454834 /nfs/dbraw/zinc/45/48/34/322454834.db2.gz OYXHUJDHHRVFFF-NSHDSACASA-N 1 0 345.363 0.905 20 5 ECBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)CN1c2cc([N+](=O)[O-])ccc2OCC1=O ZINC000565421965 322455424 /nfs/dbraw/zinc/45/54/24/322455424.db2.gz HINLLZMFBPORBG-VHSXEESVSA-N 1 0 336.348 0.562 20 5 ECBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000566066798 322497292 /nfs/dbraw/zinc/49/72/92/322497292.db2.gz MFOVDZKDGGSDOV-RYUDHWBXSA-N 1 0 336.396 0.947 20 5 ECBDRO O=C1C[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000566132211 322504343 /nfs/dbraw/zinc/50/43/43/322504343.db2.gz URNUYUUQRAAQIM-GXTWGEPZSA-N 1 0 349.387 0.935 20 5 ECBDRO COc1ccc(CNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000566236409 322516687 /nfs/dbraw/zinc/51/66/87/322516687.db2.gz DHINOJQMCRIXIL-ZJUUUORDSA-N 1 0 338.364 0.462 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2ccc3c(c2)CCO3)c1 ZINC000566733123 322551078 /nfs/dbraw/zinc/55/10/78/322551078.db2.gz MPDUXQQOFRHFDM-HNNXBMFYSA-N 1 0 332.360 0.919 20 5 ECBDRO COc1cc(C(=O)NCC(=O)N2CC[NH2+]CC2)cc([N+](=O)[O-])c1C ZINC000568381499 322626036 /nfs/dbraw/zinc/62/60/36/322626036.db2.gz PWXRUMHDVZMVRH-UHFFFAOYSA-N 1 0 336.348 0.073 20 5 ECBDRO O=C1CCC(=O)N1CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000569687441 322661351 /nfs/dbraw/zinc/66/13/51/322661351.db2.gz UZDZNSACVHRXLZ-GFCCVEGCSA-N 1 0 337.332 0.073 20 5 ECBDRO Cc1cccc(C[C@H](CO)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000572762806 322750816 /nfs/dbraw/zinc/75/08/16/322750816.db2.gz FWHFZFJMOJLZLP-ZBFHGGJFSA-N 1 0 334.376 0.654 20 5 ECBDRO CCC[C@@H](O)[C@H](CO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000573489522 322762618 /nfs/dbraw/zinc/76/26/18/322762618.db2.gz GRLBUWLCUNISCN-UONOGXRCSA-N 1 0 346.405 0.480 20 5 ECBDRO O=C(CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)N1CC[NH2+]CC1 ZINC000578758288 322873972 /nfs/dbraw/zinc/87/39/72/322873972.db2.gz HOTMIBCRSPULLE-UHFFFAOYSA-N 1 0 343.343 0.305 20 5 ECBDRO CC[N@H+](CCO)CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000184341494 528552013 /nfs/dbraw/zinc/55/20/13/528552013.db2.gz HTNKRANZUPFHKG-UHFFFAOYSA-N 1 0 345.421 0.804 20 5 ECBDRO C[NH+](C)CCCCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000264900760 535828985 /nfs/dbraw/zinc/82/89/85/535828985.db2.gz LMLVUSVQAGZCSE-UHFFFAOYSA-N 1 0 348.359 0.649 20 5 ECBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000619873709 546376650 /nfs/dbraw/zinc/37/66/50/546376650.db2.gz QUWRVIDGTJYCCG-ZDUSSCGKSA-N 1 0 333.392 0.513 20 5 ECBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000619879544 546377945 /nfs/dbraw/zinc/37/79/45/546377945.db2.gz BJIWMGLJCNITEM-ZDUSSCGKSA-N 1 0 334.376 0.480 20 5 ECBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000726163900 578138610 /nfs/dbraw/zinc/13/86/10/578138610.db2.gz OQPBYZYLYHBJBR-WDEREUQCSA-N 1 0 349.343 0.917 20 5 ECBDRO O=C(NCCO)C1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776578126 579284524 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340.376 0.776 20 5 ECBDRO O=[N+]([O-])c1cc(-c2noc([C@@H]3C[NH2+]CCO3)n2)ccc1-n1cncn1 ZINC000843237837 589054797 /nfs/dbraw/zinc/05/47/97/589054797.db2.gz VEZDOWHVBYQHGO-LBPRGKRZSA-N 1 0 343.303 0.886 20 5 ECBDRO CC(C)[NH+]1CCN(CCC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000901135704 586697147 /nfs/dbraw/zinc/69/71/47/586697147.db2.gz QKJQHKZHKCRESI-UHFFFAOYSA-N 1 0 338.412 0.324 20 5 ECBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000807937384 587140059 /nfs/dbraw/zinc/14/00/59/587140059.db2.gz BQJDWEPPYAHMFB-OAHLLOKOSA-N 1 0 340.355 0.845 20 5 ECBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]C[C@H](O)C2CC2)c1 ZINC000818980839 587463191 /nfs/dbraw/zinc/46/31/91/587463191.db2.gz JOQQBOGKQZPYAA-ZDUSSCGKSA-N 1 0 329.378 0.234 20 5 ECBDRO CC(C)NS(=O)(=O)CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818985403 587463284 /nfs/dbraw/zinc/46/32/84/587463284.db2.gz SEBJNHYGBQUEPA-CYBMUJFWSA-N 1 0 331.394 0.546 20 5 ECBDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1 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O=C(NC1(CCO)C[NH2+]C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857766651 589704218 /nfs/dbraw/zinc/70/42/18/589704218.db2.gz TYMSKEOEFUDQPH-UHFFFAOYSA-N 1 0 331.275 0.407 20 5 ECBDRO COCC[N@H+]1[C@H](C)CN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C[C@@H]1C ZINC000120871697 589716374 /nfs/dbraw/zinc/71/63/74/589716374.db2.gz ONMGQVSEHCMUNX-TXEJJXNPSA-N 1 0 339.396 0.667 20 5 ECBDRO C[NH+]1CCC(NC(=O)Cn2cc(Br)c([N+](=O)[O-])n2)CC1 ZINC000865354885 590141382 /nfs/dbraw/zinc/14/13/82/590141382.db2.gz ZLDBWPRRZABTBR-UHFFFAOYSA-N 1 0 346.185 0.764 20 5 ECBDRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000876476058 590380163 /nfs/dbraw/zinc/38/01/63/590380163.db2.gz UIFXHZWOJZFBJW-OAHLLOKOSA-N 1 0 331.413 0.628 20 5 ECBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@@H+](CCn3cccn3)C[C@H]2CC1 ZINC000946589263 611356478 /nfs/dbraw/zinc/35/64/78/611356478.db2.gz PATGYSYLOBHFAS-QKPAOTATSA-N 1 0 347.419 0.719 20 5 ECBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923710282 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DXJYNSHOAZWEMX-UHFFFAOYSA-N 1 0 334.376 0.942 20 5 ECBDRO C[N@H+](CC(=O)N1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CCC1 ZINC000947132105 611801787 /nfs/dbraw/zinc/80/17/87/611801787.db2.gz QAUKFLFOVVHBEN-ZIAGYGMSSA-N 1 0 338.408 0.243 20 5 ECBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000954240456 612790332 /nfs/dbraw/zinc/79/03/32/612790332.db2.gz CPTBPKANRXVQBH-ZIAGYGMSSA-N 1 0 343.343 0.282 20 5 ECBDRO Cc1cn(C(C)(C)C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 ZINC000954240964 612790878 /nfs/dbraw/zinc/79/08/78/612790878.db2.gz FEDFRMGOYVHPSF-CHWSQXEVSA-N 1 0 349.391 0.261 20 5 ECBDRO COc1nc(SC)nc(-n2c(C)ncc(C[NH3+])c2=N)c1[N+](=O)[O-] ZINC001167671791 736686823 /nfs/dbraw/zinc/68/68/23/736686823.db2.gz BKBPAHWSNSWPAC-UHFFFAOYSA-N 1 0 337.365 0.548 20 5 ECBDRO O=C(N[C@@H]1[C@H]2CN(Cc3coc(C4CC4)n3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025778054 739936122 /nfs/dbraw/zinc/93/61/22/739936122.db2.gz QCZXSIBDSMVLPQ-RGDJUOJXSA-N 1 0 332.360 0.764 20 5 ECBDRO Cn1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1=O ZINC000983649782 744994306 /nfs/dbraw/zinc/99/43/06/744994306.db2.gz RXGWLGWDFJWLGG-AAVRWANBSA-N 1 0 334.376 0.035 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C[C@H]1C[C@H](NC(=O)c2cnco2)C1 ZINC000984486905 746498984 /nfs/dbraw/zinc/49/89/84/746498984.db2.gz ODQNVEXXVWMWPD-MGCOHNPYSA-N 1 0 334.336 0.615 20 5 ECBDRO CN(C)c1cc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)ccn1 ZINC001002783464 747780644 /nfs/dbraw/zinc/78/06/44/747780644.db2.gz SUDYXDNSZZNTNN-HUUCEWRRSA-N 1 0 347.419 0.893 20 5 ECBDRO CC(C)[N@H+](C)CC(=O)N(C)CCN(C)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001105415206 747969934 /nfs/dbraw/zinc/96/99/34/747969934.db2.gz HFFPIGQSXHOQCL-UHFFFAOYSA-N 1 0 339.396 0.930 20 5 ECBDRO Cn1nccc1CC[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985426576 747982156 /nfs/dbraw/zinc/98/21/56/747982156.db2.gz SLWRUCJFVPAEQB-HUUCEWRRSA-N 1 0 335.408 0.551 20 5 ECBDRO CCOC(=O)C1=C(Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])[C@@H](C)OC1 ZINC001168159791 750254179 /nfs/dbraw/zinc/25/41/79/750254179.db2.gz QAXMCJSHZFQRLW-MRVPVSSYSA-N 1 0 349.347 0.719 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C[C@H]1C[C@H](NC(=O)c2ccnn2C)C1 ZINC000983283443 755059130 /nfs/dbraw/zinc/05/91/30/755059130.db2.gz AVOZTRNQRLABBW-XYPYZODXSA-N 1 0 347.379 0.360 20 5 ECBDRO O=C(NCC[NH2+]Cc1cnn(-c2ccccc2)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126942606 756900066 /nfs/dbraw/zinc/90/00/66/756900066.db2.gz CKDNSSVODPKNHQ-HUUCEWRRSA-N 1 0 329.360 0.743 20 5 ECBDRO CN(Cc1cccs1)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126949453 757161345 /nfs/dbraw/zinc/16/13/45/757161345.db2.gz TYRXLMFKVKEYEO-VXGBXAGGSA-N 1 0 340.405 0.078 20 5 ECBDRO Cn1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1=O ZINC000996428446 757653842 /nfs/dbraw/zinc/65/38/42/757653842.db2.gz DJVZEMLXJYVIMU-ZIAGYGMSSA-N 1 0 334.376 0.131 20 5 ECBDRO O=C(Cn1cnnn1)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001021815343 757944864 /nfs/dbraw/zinc/94/48/64/757944864.db2.gz LGPHBUMMEOPGHL-AOOOYVTPSA-N 1 0 337.365 0.080 20 5 ECBDRO C[NH+](C)CCOCC(=O)NC/C=C\CNc1ncccc1[N+](=O)[O-] ZINC001107272057 758132171 /nfs/dbraw/zinc/13/21/71/758132171.db2.gz FKFCLACEYPCBBG-ARJAWSKDSA-N 1 0 337.380 0.652 20 5 ECBDRO Cc1cc(C[NH+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)CC2)ncn1 ZINC001050516813 760412398 /nfs/dbraw/zinc/41/23/98/760412398.db2.gz KGNOGTUUXSFWLA-HUUCEWRRSA-N 1 0 345.403 0.875 20 5 ECBDRO Cn1nncc1C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001048525559 760662170 /nfs/dbraw/zinc/66/21/70/760662170.db2.gz XSZJXJJNXVZJGV-BUONHZGMSA-N 1 0 348.407 0.340 20 5 ECBDRO CCCCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001055574867 769159200 /nfs/dbraw/zinc/15/92/00/769159200.db2.gz AWRWLRQLIAYILB-ZIAGYGMSSA-N 1 0 340.424 0.539 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)Cc2cncnc2)C1 ZINC001020110345 772169577 /nfs/dbraw/zinc/16/95/77/772169577.db2.gz OXEBDHOTDYZFAS-HAQNSBGRSA-N 1 0 345.363 0.098 20 5 ECBDRO Cc1csc(=O)n1CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020140085 772207988 /nfs/dbraw/zinc/20/79/88/772207988.db2.gz XNHAXCAMRSUWQT-DDHJBXDOSA-N 1 0 340.405 0.120 20 5 ECBDRO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1c[nH]c(=O)n1C ZINC001266799833 836324317 /nfs/dbraw/zinc/32/43/17/836324317.db2.gz FRPLEKQHJSDAGF-UHFFFAOYSA-N 1 0 333.348 0.896 20 5 ECBDRO CCc1cccc(NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001267371851 837271536 /nfs/dbraw/zinc/27/15/36/837271536.db2.gz XUOKCMNJCMUZOF-HUUCEWRRSA-N 1 0 348.403 0.901 20 5 ECBDRO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1c[nH]c(=O)n1C ZINC001267414531 837372496 /nfs/dbraw/zinc/37/24/96/837372496.db2.gz HWDYWRKDZNDCLI-UHFFFAOYSA-N 1 0 333.348 0.896 20 5 ECBDRO NC(=O)C(=O)NCc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001267938598 838823400 /nfs/dbraw/zinc/82/34/00/838823400.db2.gz CNXKPQBNEYZCPV-UHFFFAOYSA-N 1 0 342.355 0.986 20 5 ECBDRO Cc1cnc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)cn1 ZINC001268035788 839099201 /nfs/dbraw/zinc/09/92/01/839099201.db2.gz FIBOIVHNPBGEFQ-ZIAGYGMSSA-N 1 0 333.392 0.969 20 5 ECBDRO C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000428453632 210261524 /nfs/dbraw/zinc/26/15/24/210261524.db2.gz GLAFABJRYMSECW-WDEREUQCSA-N 1 0 336.348 0.613 20 5 ECBDRO C[C@@H]1OCC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000178683902 232375508 /nfs/dbraw/zinc/37/55/08/232375508.db2.gz JBEMUXKKSRRJFB-GWCFXTLKSA-N 1 0 329.378 0.640 20 5 ECBDRO CCn1cc(S(=O)(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])n1 ZINC000420456388 209370358 /nfs/dbraw/zinc/37/03/58/209370358.db2.gz AGTPYPKSPIOMDE-NXEZZACHSA-N 1 0 331.398 0.607 20 5 ECBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000420186924 209336205 /nfs/dbraw/zinc/33/62/05/209336205.db2.gz CVCSDGSGMWHAAX-BXUZGUMPSA-N 1 0 346.387 0.723 20 5 ECBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420137818 209318109 /nfs/dbraw/zinc/31/81/09/209318109.db2.gz WIZATEQAURHJAH-UHFFFAOYSA-N 1 0 334.376 0.593 20 5 ECBDRO CNc1nc(C(=O)NC[C@](C)(O)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000419984995 209269670 /nfs/dbraw/zinc/26/96/70/209269670.db2.gz VMVYKRCPDOXPHF-CQSZACIVSA-N 1 0 325.369 0.464 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000193418660 240157334 /nfs/dbraw/zinc/15/73/34/240157334.db2.gz IMFHKQCIHUEBDS-KOLCDFICSA-N 1 0 329.378 0.880 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195303828 240923857 /nfs/dbraw/zinc/92/38/57/240923857.db2.gz QJOBXLAUDIGCMK-AOOOYVTPSA-N 1 0 327.362 0.443 20 5 ECBDRO C[C@@H](C[NH3+])NC(=O)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000419766045 209199660 /nfs/dbraw/zinc/19/96/60/209199660.db2.gz CTCKQUCHSCBZBU-ZETCQYMHSA-N 1 0 348.281 0.693 20 5 ECBDRO CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[NH3+] ZINC000262501706 245004711 /nfs/dbraw/zinc/00/47/11/245004711.db2.gz HOLYYCFKEGCKBU-GFCCVEGCSA-N 1 0 340.405 0.521 20 5 ECBDRO C[C@@H]([NH3+])CCNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000262531727 245019731 /nfs/dbraw/zinc/01/97/31/245019731.db2.gz JCZMJMHPJYSGFB-MRVPVSSYSA-N 1 0 326.378 0.639 20 5 ECBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000262724944 245146078 /nfs/dbraw/zinc/14/60/78/245146078.db2.gz GWGQMKLBCRXXFC-ZYHUDNBSSA-N 1 0 330.348 0.903 20 5 ECBDRO C[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC000078713654 217107137 /nfs/dbraw/zinc/10/71/37/217107137.db2.gz LQVMJDPDQDXNBJ-ZDUSSCGKSA-N 1 0 336.392 0.726 20 5 ECBDRO CC[NH+]1CCN(CCNC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000080249234 217291270 /nfs/dbraw/zinc/29/12/70/217291270.db2.gz YQQGQCAROSPXLI-UHFFFAOYSA-N 1 0 349.435 0.785 20 5 ECBDRO CC[N@H+](C)CCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000264950175 247077971 /nfs/dbraw/zinc/07/79/71/247077971.db2.gz XUOXZAFHSPDHOC-UHFFFAOYSA-N 1 0 334.332 0.259 20 5 ECBDRO NS(=O)(=O)C[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000265237910 247327053 /nfs/dbraw/zinc/32/70/53/247327053.db2.gz QPDORZOXLWTYRS-LBPRGKRZSA-N 1 0 343.405 0.974 20 5 ECBDRO Cc1noc([C@H]2CCC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000266517523 248341463 /nfs/dbraw/zinc/34/14/63/248341463.db2.gz HCMKVJWISWZVMN-WCQYABFASA-N 1 0 336.352 0.723 20 5 ECBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000449746419 211296909 /nfs/dbraw/zinc/29/69/09/211296909.db2.gz FZCLCDAYACGFGA-MFKMUULPSA-N 1 0 334.376 0.970 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000444256874 211062575 /nfs/dbraw/zinc/06/25/75/211062575.db2.gz AOJNCVGUJMHZIL-WCQYABFASA-N 1 0 334.376 0.971 20 5 ECBDRO CCO[C@@H]1C[C@@](CO)([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000189971960 207750219 /nfs/dbraw/zinc/75/02/19/207750219.db2.gz MFKIUVZJIJSEGQ-GUTXKFCHSA-N 1 0 342.396 0.308 20 5 ECBDRO COCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](C)C(N)=O ZINC000411254319 208078834 /nfs/dbraw/zinc/07/88/34/208078834.db2.gz HRGDNICBMIRLNQ-NSHDSACASA-N 1 0 338.364 0.746 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)NC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000420444928 209366804 /nfs/dbraw/zinc/36/68/04/209366804.db2.gz HCYRPOVVNCMVLI-LLVKDONJSA-N 1 0 345.377 0.643 20 5 ECBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CC(=O)N1CC[NH2+]CC1 ZINC000430618503 210391236 /nfs/dbraw/zinc/39/12/36/210391236.db2.gz UUJIVXKTECCVEU-UHFFFAOYSA-N 1 0 349.391 0.205 20 5 ECBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420474159 209373227 /nfs/dbraw/zinc/37/32/27/209373227.db2.gz FPTGGQMRCYMJPI-GFCCVEGCSA-N 1 0 329.378 0.478 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000415864084 208591298 /nfs/dbraw/zinc/59/12/98/208591298.db2.gz HGQUJAUUAMPOTF-VXGBXAGGSA-N 1 0 332.360 0.910 20 5 ECBDRO C[NH2+]C[C@H](C)CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000429232415 210306120 /nfs/dbraw/zinc/30/61/20/210306120.db2.gz BEDHVINWPYEYOD-JTQLQIEISA-N 1 0 336.348 0.292 20 5 ECBDRO Cc1c(C(=O)NC2CC[NH2+]CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000428758205 210281939 /nfs/dbraw/zinc/28/19/39/210281939.db2.gz LLISJHBRAMJPQJ-UHFFFAOYSA-N 1 0 342.377 0.032 20 5 ECBDRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000418873528 208890380 /nfs/dbraw/zinc/89/03/80/208890380.db2.gz UDXZQIYREYEFTR-AWEZNQCLSA-N 1 0 348.403 0.841 20 5 ECBDRO C[NH2+]CCCN(C)C(=O)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000418947540 208921032 /nfs/dbraw/zinc/92/10/32/208921032.db2.gz PUNIMGVGULYMHL-UHFFFAOYSA-N 1 0 338.364 0.288 20 5 ECBDRO COC(=O)Nc1ccc(S(=O)(=O)NCCCC[NH3+])cc1[N+](=O)[O-] ZINC000496909690 255140949 /nfs/dbraw/zinc/14/09/49/255140949.db2.gz HZAXUFGWAWQYKI-UHFFFAOYSA-N 1 0 346.365 0.790 20 5 ECBDRO Cc1c(C(=O)NC[C@H]2CCC[NH2+]2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000269145520 255535708 /nfs/dbraw/zinc/53/57/08/255535708.db2.gz HALPFRJDFJTBKH-SECBINFHSA-N 1 0 342.377 0.032 20 5 ECBDRO Cc1ccc([C@H](C)NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000419268043 209046634 /nfs/dbraw/zinc/04/66/34/209046634.db2.gz JZCUYADCLFTDOL-AAEUAGOBSA-N 1 0 334.376 0.949 20 5 ECBDRO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000419271358 209047078 /nfs/dbraw/zinc/04/70/78/209047078.db2.gz OKNDUCHLZMSUQH-YPMHNXCESA-N 1 0 334.376 0.901 20 5 ECBDRO CS(=O)(=O)N[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000116890785 221007668 /nfs/dbraw/zinc/00/76/68/221007668.db2.gz MJXFJHAQGANYCZ-GFCCVEGCSA-N 1 0 343.405 0.987 20 5 ECBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000366983724 296504829 /nfs/dbraw/zinc/50/48/29/296504829.db2.gz SHUPJJQTNIJXLF-MNOVXSKESA-N 1 0 347.780 0.610 20 5 ECBDRO C[NH+](C)[C@H]1CCCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC000272904840 296773001 /nfs/dbraw/zinc/77/30/01/296773001.db2.gz MVBVTGWFMRSMKK-NSHDSACASA-N 1 0 328.394 0.773 20 5 ECBDRO C[C@@H]([NH3+])CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000442663686 286913239 /nfs/dbraw/zinc/91/32/39/286913239.db2.gz KMPNLJOGFLXCAP-LLVKDONJSA-N 1 0 328.394 0.248 20 5 ECBDRO COc1ccc(C[NH2+]CCNS(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000298080536 296829296 /nfs/dbraw/zinc/82/92/96/296829296.db2.gz LVDGRSAZNWDLHD-UHFFFAOYSA-N 1 0 332.382 0.089 20 5 ECBDRO COc1ccc(C(=O)NCC(=O)NC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000299236262 296851977 /nfs/dbraw/zinc/85/19/77/296851977.db2.gz HBHHTUUMXOXFIB-JTQLQIEISA-N 1 0 338.364 0.400 20 5 ECBDRO C[NH+]1CCN(CCNS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000193464743 165055836 /nfs/dbraw/zinc/05/58/36/165055836.db2.gz DVKYSSRTEFGFKC-UHFFFAOYSA-N 1 0 334.423 0.182 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261970030 165270848 /nfs/dbraw/zinc/27/08/48/165270848.db2.gz YVKOLOUZNSBWKO-GHMZBOCLSA-N 1 0 341.389 0.833 20 5 ECBDRO Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000262530793 165358752 /nfs/dbraw/zinc/35/87/52/165358752.db2.gz NILVJMAAWPKIGE-FZMZJTMJSA-N 1 0 334.376 0.971 20 5 ECBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000262580337 165365009 /nfs/dbraw/zinc/36/50/09/165365009.db2.gz YVCPWLZQPFOAJE-VIFPVBQESA-N 1 0 349.796 0.905 20 5 ECBDRO C[NH2+]CCN(C)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000263274884 165432177 /nfs/dbraw/zinc/43/21/77/165432177.db2.gz YCPFYQKMQVMAQR-UHFFFAOYSA-N 1 0 326.378 0.464 20 5 ECBDRO CC[N@H+](CCO)CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000183957353 263157668 /nfs/dbraw/zinc/15/76/68/263157668.db2.gz BOKPJQGHTVMLSW-UHFFFAOYSA-N 1 0 347.375 0.825 20 5 ECBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000269619100 263192468 /nfs/dbraw/zinc/19/24/68/263192468.db2.gz MKQURWITCMCNMI-QWHCGFSZSA-N 1 0 336.392 0.993 20 5 ECBDRO COc1ccc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000269779357 263203890 /nfs/dbraw/zinc/20/38/90/263203890.db2.gz UECYKWPRBWVFGB-CYBMUJFWSA-N 1 0 347.393 0.194 20 5 ECBDRO COc1ccc(CNC(=O)NC[C@@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000269840985 263208051 /nfs/dbraw/zinc/20/80/51/263208051.db2.gz BRDQDXVUXXSPLX-OAHLLOKOSA-N 1 0 340.380 0.715 20 5 ECBDRO COc1cc(C(=O)NC[C@@](C)(O)C[NH+](C)C)cc([N+](=O)[O-])c1OC ZINC000269862240 263209202 /nfs/dbraw/zinc/20/92/02/263209202.db2.gz CWJMOIAJMSXBBE-OAHLLOKOSA-N 1 0 341.364 0.654 20 5 ECBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCC1=CC[NH2+]CC1 ZINC000275097724 263549459 /nfs/dbraw/zinc/54/94/59/263549459.db2.gz AEOHMDDMYLSXDM-UHFFFAOYSA-N 1 0 332.360 0.751 20 5 ECBDRO CN(C(=O)CN1CCO[C@H]2CC[N@H+](C)C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000284830681 264242561 /nfs/dbraw/zinc/24/25/61/264242561.db2.gz MQLGHGURUVWBKB-CVEARBPZSA-N 1 0 348.403 0.963 20 5 ECBDRO CC(C)c1n[nH]c(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000285839904 264343455 /nfs/dbraw/zinc/34/34/55/264343455.db2.gz PTLOWLFDYXNGIZ-GHMZBOCLSA-N 1 0 337.380 0.986 20 5 ECBDRO COCC[NH2+]CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000286236576 264382236 /nfs/dbraw/zinc/38/22/36/264382236.db2.gz UQARISZXLKSJMD-UHFFFAOYSA-N 1 0 333.348 0.746 20 5 ECBDRO C[C@@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1C(N)=O ZINC000286297854 264387558 /nfs/dbraw/zinc/38/75/58/264387558.db2.gz UHUWWGWNQQPLRR-ZWNOBZJWSA-N 1 0 332.360 0.537 20 5 ECBDRO C[C@@H](C[NH+](C)C)NC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000297909635 265199877 /nfs/dbraw/zinc/19/98/77/265199877.db2.gz ILKDUOITNIAKQV-LBPRGKRZSA-N 1 0 336.396 0.772 20 5 ECBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000171636905 275040288 /nfs/dbraw/zinc/04/02/88/275040288.db2.gz WHCCMSOIVAPSNK-CQSZACIVSA-N 1 0 331.376 0.974 20 5 ECBDRO C[C@H](O)C[NH+]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000189395146 437595700 /nfs/dbraw/zinc/59/57/00/437595700.db2.gz BJNKKBKMZQFGMW-UONOGXRCSA-N 1 0 339.392 0.333 20 5 ECBDRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000440403203 277274882 /nfs/dbraw/zinc/27/48/82/277274882.db2.gz CPKFANWSDZHICD-SECBINFHSA-N 1 0 345.377 0.500 20 5 ECBDRO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000419037681 279647868 /nfs/dbraw/zinc/64/78/68/279647868.db2.gz IXTBNSITGFJWDC-CYBMUJFWSA-N 1 0 334.376 0.593 20 5 ECBDRO O=C(NC[C@H]1CCC[NH2+]C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000418326449 279861550 /nfs/dbraw/zinc/86/15/50/279861550.db2.gz XXIQWWWADAMDJE-ZDUSSCGKSA-N 1 0 348.407 0.821 20 5 ECBDRO NC(=O)C1(O)CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000340217535 437606558 /nfs/dbraw/zinc/60/65/58/437606558.db2.gz JXPNFASGDFXFBN-UHFFFAOYSA-N 1 0 336.348 0.236 20 5 ECBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)n1 ZINC000332668168 297063979 /nfs/dbraw/zinc/06/39/79/297063979.db2.gz QAQXXKGXKPXGPZ-GXSJLCMTSA-N 1 0 327.410 0.929 20 5 ECBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000337955123 297228311 /nfs/dbraw/zinc/22/83/11/297228311.db2.gz WXJCYAOIXQDVBR-ZDUSSCGKSA-N 1 0 337.380 0.595 20 5 ECBDRO NC(=O)c1ccc(C[NH+]2CCC3(CNC(=O)C3)CC2)c([N+](=O)[O-])c1 ZINC000342689044 297765909 /nfs/dbraw/zinc/76/59/09/297765909.db2.gz RHGPVLUMTREXIY-UHFFFAOYSA-N 1 0 332.360 0.796 20 5 ECBDRO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000345402146 298151753 /nfs/dbraw/zinc/15/17/53/298151753.db2.gz HTVTWPPGXUSABQ-LBPRGKRZSA-N 1 0 338.412 0.332 20 5 ECBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000351835975 298846715 /nfs/dbraw/zinc/84/67/15/298846715.db2.gz HIDGUYQIYYHFKV-DGCLKSJQSA-N 1 0 349.391 0.590 20 5 ECBDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000353213491 299023013 /nfs/dbraw/zinc/02/30/13/299023013.db2.gz CGXLUBXJRLHVEZ-SNVBAGLBSA-N 1 0 331.398 0.574 20 5 ECBDRO C[C@@H]1C[C@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000353378392 299043523 /nfs/dbraw/zinc/04/35/23/299043523.db2.gz GXLSUCRZOJGAFM-DGCLKSJQSA-N 1 0 334.376 0.924 20 5 ECBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000367510177 300619415 /nfs/dbraw/zinc/61/94/15/300619415.db2.gz MVSQGPAHUIZZET-UHFFFAOYSA-N 1 0 349.387 0.894 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000370776539 300860004 /nfs/dbraw/zinc/86/00/04/300860004.db2.gz TZAXHRJYDZBLHD-TZMCWYRMSA-N 1 0 337.380 0.408 20 5 ECBDRO Cn1nccc1C1=CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000375689980 301198589 /nfs/dbraw/zinc/19/85/89/301198589.db2.gz SAKQGLRYVFOGIS-CQSZACIVSA-N 1 0 332.364 0.675 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000376454909 301263513 /nfs/dbraw/zinc/26/35/13/301263513.db2.gz NUAIZKHRHBCDHP-ZYHUDNBSSA-N 1 0 341.389 0.976 20 5 ECBDRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000420406843 301466346 /nfs/dbraw/zinc/46/63/46/301466346.db2.gz SHVKTTAMBWJEBE-SECBINFHSA-N 1 0 343.361 0.364 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H](O)Cc2cccc(F)c2)c1 ZINC000515383594 301639997 /nfs/dbraw/zinc/63/99/97/301639997.db2.gz NYZGBKOUPJAHRC-GJZGRUSLSA-N 1 0 338.339 0.485 20 5 ECBDRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000516643048 301673716 /nfs/dbraw/zinc/67/37/16/301673716.db2.gz YSKHCKIEEVVCFG-GFCCVEGCSA-N 1 0 346.387 0.677 20 5 ECBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000090550733 436433582 /nfs/dbraw/zinc/43/35/82/436433582.db2.gz FMGMGIRJMINDNK-CQSZACIVSA-N 1 0 336.392 0.411 20 5 ECBDRO CN(C)C(=O)CCC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000520218945 301766326 /nfs/dbraw/zinc/76/63/26/301766326.db2.gz JELKMGIMYDRWPD-ZDUSSCGKSA-N 1 0 325.365 0.793 20 5 ECBDRO C[NH+]1CCN(CCCNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000061524511 436637059 /nfs/dbraw/zinc/63/70/59/436637059.db2.gz AVACVRWHYKMGJU-UHFFFAOYSA-N 1 0 336.392 0.727 20 5 ECBDRO C[NH+]1CCN(CCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000063667147 436644787 /nfs/dbraw/zinc/64/47/87/436644787.db2.gz ANPBPIBMQQQFJG-UHFFFAOYSA-N 1 0 339.371 0.683 20 5 ECBDRO CN(C)C(=O)C(C)(C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000544071290 302220646 /nfs/dbraw/zinc/22/06/46/302220646.db2.gz GFPZYWPULMHVCN-LLVKDONJSA-N 1 0 325.365 0.791 20 5 ECBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000548944252 302334942 /nfs/dbraw/zinc/33/49/42/302334942.db2.gz MOEMQRVONKKWLV-GFCCVEGCSA-N 1 0 336.396 0.560 20 5 ECBDRO O=C1CCCN1CCC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000551815631 302364614 /nfs/dbraw/zinc/36/46/14/302364614.db2.gz CPUTXHHQHVZLGW-CYBMUJFWSA-N 1 0 337.376 0.937 20 5 ECBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC(C)(CO)CO ZINC000269306780 436656792 /nfs/dbraw/zinc/65/67/92/436656792.db2.gz GNIOHMWFYJSBPE-CYBMUJFWSA-N 1 0 328.365 0.257 20 5 ECBDRO CN(CCN1CC[NH2+]CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000117695885 436658633 /nfs/dbraw/zinc/65/86/33/436658633.db2.gz SAYWNDCSSNBHLI-UHFFFAOYSA-N 1 0 328.394 0.121 20 5 ECBDRO COCC[NH+]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000194620294 436668682 /nfs/dbraw/zinc/66/86/82/436668682.db2.gz PJEWKDHCSMIPAT-OAHLLOKOSA-N 1 0 339.392 0.599 20 5 ECBDRO COCC[NH+]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000194620277 436668797 /nfs/dbraw/zinc/66/87/97/436668797.db2.gz PJEWKDHCSMIPAT-HNNXBMFYSA-N 1 0 339.392 0.599 20 5 ECBDRO Cc1c(CNC(=O)NCC(=O)N2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000557205259 302455810 /nfs/dbraw/zinc/45/58/10/302455810.db2.gz VFSGTBTWICIVDW-UHFFFAOYSA-N 1 0 335.364 0.134 20 5 ECBDRO Cc1c(NC(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000194921458 436673707 /nfs/dbraw/zinc/67/37/07/436673707.db2.gz KGGPNCBLVNGYES-TXEJJXNPSA-N 1 0 332.360 0.862 20 5 ECBDRO CCCN(CC(=O)NC)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000120155076 436680155 /nfs/dbraw/zinc/68/01/55/436680155.db2.gz OESUDTTUXNLFNU-UHFFFAOYSA-N 1 0 334.376 0.942 20 5 ECBDRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000237214089 436727731 /nfs/dbraw/zinc/72/77/31/436727731.db2.gz XZSAQNFHZDFYOF-JTQLQIEISA-N 1 0 329.378 0.833 20 5 ECBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000237664457 436741307 /nfs/dbraw/zinc/74/13/07/436741307.db2.gz JFJXDYATIXJRRN-LBPRGKRZSA-N 1 0 334.376 0.830 20 5 ECBDRO COC[C@](C)(CCO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273296709 436744401 /nfs/dbraw/zinc/74/44/01/436744401.db2.gz GJTWMLASALIIRE-AWEZNQCLSA-N 1 0 346.405 0.746 20 5 ECBDRO C[NH+]1CCN(CCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000068467783 436745106 /nfs/dbraw/zinc/74/51/06/436745106.db2.gz OBBHROTUZKOTAM-UHFFFAOYSA-N 1 0 345.403 0.913 20 5 ECBDRO Cc1c(C(=O)NCCN2CC[NH2+]CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000237785629 436745329 /nfs/dbraw/zinc/74/53/29/436745329.db2.gz WHMACVFKEDVDAX-UHFFFAOYSA-N 1 0 337.336 0.446 20 5 ECBDRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000237940665 436749929 /nfs/dbraw/zinc/74/99/29/436749929.db2.gz JACUHWYZCILSSE-JTQLQIEISA-N 1 0 338.339 0.661 20 5 ECBDRO Cc1cc([N+](=O)[O-])cn(CC(=O)NC2CC[NH+](C3CC3)CC2)c1=O ZINC000155840920 436803074 /nfs/dbraw/zinc/80/30/74/436803074.db2.gz HDCUAPPEOALBBU-UHFFFAOYSA-N 1 0 334.376 0.808 20 5 ECBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000274200775 436805924 /nfs/dbraw/zinc/80/59/24/436805924.db2.gz UBFUUZZRKPGIEP-KRWDZBQOSA-N 1 0 346.387 0.927 20 5 ECBDRO CN(C)CC[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000293262665 436860908 /nfs/dbraw/zinc/86/09/08/436860908.db2.gz GDPCZRLXQSPICN-UHFFFAOYSA-N 1 0 341.387 0.929 20 5 ECBDRO C[C@H](CNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000293635259 436894806 /nfs/dbraw/zinc/89/48/06/436894806.db2.gz DAGKIKDIINGHEU-SNVBAGLBSA-N 1 0 343.405 0.926 20 5 ECBDRO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000161914145 436899154 /nfs/dbraw/zinc/89/91/54/436899154.db2.gz OZKQCUQBXJYTMN-GFCCVEGCSA-N 1 0 340.405 0.917 20 5 ECBDRO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000275134007 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RSKONSSVCLPRSH-GFCCVEGCSA-N 1 0 338.364 0.662 20 5 ECBDRO CCC[N@H+](CC)CCNS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000339038982 437435641 /nfs/dbraw/zinc/43/56/41/437435641.db2.gz FAIMYQXSLLYAFF-UHFFFAOYSA-N 1 0 333.414 0.821 20 5 ECBDRO Cc1c(NC(=O)CC[N@@H+](CCO)C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000289782914 437440897 /nfs/dbraw/zinc/44/08/97/437440897.db2.gz LUULFAHFHXCVLH-NSHDSACASA-N 1 0 325.365 0.907 20 5 ECBDRO O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N[C@@H]1CC[NH2+]C1)OCCO2 ZINC000262750086 304801355 /nfs/dbraw/zinc/80/13/55/304801355.db2.gz MVASENTZNDHNCJ-MRVPVSSYSA-N 1 0 329.334 0.006 20 5 ECBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCN1CC[NH+](C)CC1 ZINC000192712796 437688233 /nfs/dbraw/zinc/68/82/33/437688233.db2.gz NGZNJRYTTKMODF-UHFFFAOYSA-N 1 0 342.421 0.429 20 5 ECBDRO CS[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H]1[NH+]1CCCC1 ZINC000331374224 437748296 /nfs/dbraw/zinc/74/82/96/437748296.db2.gz CLRGEEXNEYMKQP-WDEREUQCSA-N 1 0 340.409 0.225 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000415573079 437824304 /nfs/dbraw/zinc/82/43/04/437824304.db2.gz VFFDGIQPNADTIR-VHSXEESVSA-N 1 0 336.348 0.751 20 5 ECBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000415351440 437788877 /nfs/dbraw/zinc/78/88/77/437788877.db2.gz HZOGSLJTLNYTTO-JTQLQIEISA-N 1 0 336.348 0.739 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000415691637 437841642 /nfs/dbraw/zinc/84/16/42/437841642.db2.gz NQTRQUGBMDVQQJ-OAHLLOKOSA-N 1 0 336.348 0.739 20 5 ECBDRO C[C@@H]1C[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])nn2C)CCCO1 ZINC000347159986 437843092 /nfs/dbraw/zinc/84/30/92/437843092.db2.gz MTTNWUZHELSFIW-LLVKDONJSA-N 1 0 325.369 0.559 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415747360 437853371 /nfs/dbraw/zinc/85/33/71/437853371.db2.gz ONLUUTKMDGMWHD-MNOVXSKESA-N 1 0 348.359 0.610 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000416364103 437921490 /nfs/dbraw/zinc/92/14/90/437921490.db2.gz UGUPJYOZXKFWBJ-UHFFFAOYSA-N 1 0 345.377 0.611 20 5 ECBDRO COc1ccc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000424239791 437911417 /nfs/dbraw/zinc/91/14/17/437911417.db2.gz OIFYDIUUXHNKDF-QWHCGFSZSA-N 1 0 345.359 0.904 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000416492936 437944407 /nfs/dbraw/zinc/94/44/07/437944407.db2.gz BZOHZAZCRBXVQU-SNVBAGLBSA-N 1 0 329.378 0.833 20 5 ECBDRO COc1cc(CCNC(=O)N[C@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000416922603 438001484 /nfs/dbraw/zinc/00/14/84/438001484.db2.gz PQRCIYXOBFVPTP-NSHDSACASA-N 1 0 338.364 0.816 20 5 ECBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000358078164 438144593 /nfs/dbraw/zinc/14/45/93/438144593.db2.gz XWCUKJVBOBDYAE-AWEZNQCLSA-N 1 0 345.302 0.993 20 5 ECBDRO COCC[NH2+]CCNC(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418783154 438189233 /nfs/dbraw/zinc/18/92/33/438189233.db2.gz NZKWFHANNPGGAM-LLVKDONJSA-N 1 0 338.364 0.124 20 5 ECBDRO CC(C)(O)C[N@@H+]1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000373435986 438151619 /nfs/dbraw/zinc/15/16/19/438151619.db2.gz QKZLHOLNACQSQG-UHFFFAOYSA-N 1 0 337.380 0.722 20 5 ECBDRO NS(=O)(=O)C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000367129191 438169149 /nfs/dbraw/zinc/16/91/49/438169149.db2.gz NTKGTHHIXLJUDL-UHFFFAOYSA-N 1 0 329.378 0.727 20 5 ECBDRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000418859881 438222054 /nfs/dbraw/zinc/22/20/54/438222054.db2.gz BZIVICCMYKJZOA-LBPRGKRZSA-N 1 0 348.403 0.839 20 5 ECBDRO Cn1cc(C(=O)N2CCO[C@H](C[NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000358511050 438241188 /nfs/dbraw/zinc/24/11/88/438241188.db2.gz CQPHKAIQGMZJQR-CYBMUJFWSA-N 1 0 345.359 0.795 20 5 ECBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CCN1C1CC[NH+](C)CC1 ZINC000374256727 438199742 /nfs/dbraw/zinc/19/97/42/438199742.db2.gz XFBBVAXJIYSVRC-LLVKDONJSA-N 1 0 335.412 0.572 20 5 ECBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000418918549 438247924 /nfs/dbraw/zinc/24/79/24/438247924.db2.gz CZTRQMZVIRUWGV-OCCSQVGLSA-N 1 0 348.403 0.839 20 5 ECBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000418922370 438249546 /nfs/dbraw/zinc/24/95/46/438249546.db2.gz KWUPDBPEJQHJPB-SMDDNHRTSA-N 1 0 334.376 0.368 20 5 ECBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000368496290 438337693 /nfs/dbraw/zinc/33/76/93/438337693.db2.gz NKBVWJQSDIOVHF-GWCFXTLKSA-N 1 0 348.338 0.948 20 5 ECBDRO COc1cc(OCC(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)ccc1[N+](=O)[O-] ZINC000368201750 438299980 /nfs/dbraw/zinc/29/99/80/438299980.db2.gz NEFCTIIIFJKWRZ-UWVGGRQHSA-N 1 0 327.312 0.798 20 5 ECBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000419038160 438300928 /nfs/dbraw/zinc/30/09/28/438300928.db2.gz IZBMXKKYMAHSRK-YPMHNXCESA-N 1 0 334.376 0.368 20 5 ECBDRO CC1CC[NH+](C[C@@H](O)CNC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000359027274 438347764 /nfs/dbraw/zinc/34/77/64/438347764.db2.gz GQSORYYMVPWTCW-LBPRGKRZSA-N 1 0 337.380 0.626 20 5 ECBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419850100 438374211 /nfs/dbraw/zinc/37/42/11/438374211.db2.gz ZWVOEMYQVLIXOS-CYBMUJFWSA-N 1 0 334.376 0.464 20 5 ECBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000352124403 438386311 /nfs/dbraw/zinc/38/63/11/438386311.db2.gz YBOPTIAYAILKNK-AWEZNQCLSA-N 1 0 339.396 0.654 20 5 ECBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1C(=O)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359405288 438429391 /nfs/dbraw/zinc/42/93/91/438429391.db2.gz HEZPSSFADCDLTK-UTUOFQBUSA-N 1 0 348.359 0.470 20 5 ECBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC000420485295 438410157 /nfs/dbraw/zinc/41/01/57/438410157.db2.gz ZOKHUIXKFSHXTM-NSHDSACASA-N 1 0 329.378 0.478 20 5 ECBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2C[NH2+]CCN2C)c1C ZINC000420463993 438410677 /nfs/dbraw/zinc/41/06/77/438410677.db2.gz XDQDVQQZKJIBKV-LBPRGKRZSA-N 1 0 342.421 0.394 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCO[C@]3(CCCOC3)C2)c1 ZINC000352361646 438411961 /nfs/dbraw/zinc/41/19/61/438411961.db2.gz LAOOVOIMYIBJNT-UONOGXRCSA-N 1 0 326.353 0.034 20 5 ECBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000420637413 438416349 /nfs/dbraw/zinc/41/63/49/438416349.db2.gz OMTHJQJSFLDEJY-JTQLQIEISA-N 1 0 328.394 0.773 20 5 ECBDRO CCO[C@@H]1CN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000405492513 438470805 /nfs/dbraw/zinc/47/08/05/438470805.db2.gz ACJIJZXMYCFXFX-DGCLKSJQSA-N 1 0 343.405 0.888 20 5 ECBDRO C[NH+](C)CCn1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000352795075 438477213 /nfs/dbraw/zinc/47/72/13/438477213.db2.gz JAODXIBOURXPLG-UHFFFAOYSA-N 1 0 343.347 1.482 20 5 ECBDRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000369348472 438457616 /nfs/dbraw/zinc/45/76/16/438457616.db2.gz SZBRMGVZVDFOGA-CQSZACIVSA-N 1 0 348.403 0.731 20 5 ECBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000353718373 438527855 /nfs/dbraw/zinc/52/78/55/438527855.db2.gz VVMDIXGCDWEVIV-NSHDSACASA-N 1 0 325.369 0.891 20 5 ECBDRO C[C@@H]1CC[NH2+]C[C@@H]1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422950016 438619807 /nfs/dbraw/zinc/61/98/07/438619807.db2.gz WZODHWYLOFDQBJ-RISCZKNCSA-N 1 0 342.421 0.461 20 5 ECBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000493545521 438633110 /nfs/dbraw/zinc/63/31/10/438633110.db2.gz CSVVNMRORIHBNW-DZYGNGBISA-N 1 0 330.344 0.378 20 5 ECBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423095944 438637923 /nfs/dbraw/zinc/63/79/23/438637923.db2.gz GMGNSSGJOZZQOG-JSGCOSHPSA-N 1 0 346.387 0.621 20 5 ECBDRO CN(C)c1ccc([N+](=O)[O-])c(OC[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000414156626 438699483 /nfs/dbraw/zinc/69/94/83/438699483.db2.gz WSNDZIHSZVBEPM-AWEZNQCLSA-N 1 0 338.408 0.648 20 5 ECBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000423306881 438659671 /nfs/dbraw/zinc/65/96/71/438659671.db2.gz MGUGVGBHNSUHII-WCQYABFASA-N 1 0 346.387 0.675 20 5 ECBDRO CNc1nc(C(=O)N2CCN(C[C@@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000456028867 438756360 /nfs/dbraw/zinc/75/63/60/438756360.db2.gz TUBWWIHCRUXXGM-WDEREUQCSA-N 1 0 337.380 0.559 20 5 ECBDRO Cc1c(C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)cccc1[N+](=O)[O-] ZINC000576462859 438784769 /nfs/dbraw/zinc/78/47/69/438784769.db2.gz AUSATRQGDKGYDP-UHFFFAOYSA-N 1 0 331.336 0.683 20 5 ECBDRO C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])C(=O)NCC[NH+](C)C ZINC000556903928 438794562 /nfs/dbraw/zinc/79/45/62/438794562.db2.gz GJJAKTQPLIMERE-NSHDSACASA-N 1 0 338.364 0.156 20 5 ECBDRO O=C(C[NH+]1CCCC1)N1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601113986 438821439 /nfs/dbraw/zinc/82/14/39/438821439.db2.gz LLQXQRGMMURGFS-UHFFFAOYSA-N 1 0 337.355 0.873 20 5 ECBDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595664300 438843707 /nfs/dbraw/zinc/84/37/07/438843707.db2.gz OXKRNVITWSIMII-COPLHBTASA-N 1 0 340.332 0.255 20 5 ECBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC000588861335 438847254 /nfs/dbraw/zinc/84/72/54/438847254.db2.gz QZHGKAYQFNVHSC-NWDGAFQWSA-N 1 0 335.360 0.885 20 5 ECBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1COCCO1 ZINC000595735174 438852857 /nfs/dbraw/zinc/85/28/57/438852857.db2.gz DDQCUHJUXOPDLI-STQMWFEESA-N 1 0 326.349 0.682 20 5 ECBDRO NS(=O)(=O)c1ccc(N2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000589106545 438856228 /nfs/dbraw/zinc/85/62/28/438856228.db2.gz HWWFAVMLSXHGKF-UHFFFAOYSA-N 1 0 340.405 0.774 20 5 ECBDRO Cc1c(C(=O)NCC23CC(C2)C[NH2+]3)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000595952022 438898303 /nfs/dbraw/zinc/89/83/03/438898303.db2.gz WBQMOAGMBKDPQT-UHFFFAOYSA-N 1 0 342.359 0.966 20 5 ECBDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000515467263 438869614 /nfs/dbraw/zinc/86/96/14/438869614.db2.gz VWHWTSZVEUPOIL-ROENXZJSSA-N 1 0 344.437 0.822 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@H](CO)[C@H](O)C2)c1 ZINC000515581158 438874962 /nfs/dbraw/zinc/87/49/62/438874962.db2.gz SOGVSEWTDGZELB-NJZAAPMLSA-N 1 0 326.349 0.010 20 5 ECBDRO [NH3+]C1(CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000595927412 438886648 /nfs/dbraw/zinc/88/66/48/438886648.db2.gz XNAGQPHCLFWBDB-UHFFFAOYSA-N 1 0 338.389 0.822 20 5 ECBDRO C[NH2+]CCCC(=O)N1CCC(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000595982556 438908975 /nfs/dbraw/zinc/90/89/75/438908975.db2.gz UMDQQJLYVFBYFN-UHFFFAOYSA-N 1 0 337.380 0.643 20 5 ECBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000590402223 438918352 /nfs/dbraw/zinc/91/83/52/438918352.db2.gz AXHZIQPJJKYKGV-FZMZJTMJSA-N 1 0 334.376 0.876 20 5 ECBDRO NC(=O)CC1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCCC1 ZINC000596069521 438920337 /nfs/dbraw/zinc/92/03/37/438920337.db2.gz LJDQANPWQFAOGF-CYBMUJFWSA-N 1 0 339.396 0.568 20 5 ECBDRO Cc1noc(CN2C(=O)N[C@]3(CCCC[C@H]3C[NH3+])C2=O)c1[N+](=O)[O-] ZINC000596071911 438923574 /nfs/dbraw/zinc/92/35/74/438923574.db2.gz VVVZHRVYEMNRNT-XPTSAGLGSA-N 1 0 337.336 0.831 20 5 ECBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCOC2(C[NH2+]C2)C1 ZINC000596097805 438923990 /nfs/dbraw/zinc/92/39/90/438923990.db2.gz LYAJWXOSOARJQY-UHFFFAOYSA-N 1 0 332.360 0.984 20 5 ECBDRO NC(=O)c1cc(NCCC[N@H+]2CCC[C@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000596105754 438925579 /nfs/dbraw/zinc/92/55/79/438925579.db2.gz YFQXQMILGBYWGC-NSHDSACASA-N 1 0 349.391 0.693 20 5 ECBDRO CN(C)C(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596121499 438929004 /nfs/dbraw/zinc/92/90/04/438929004.db2.gz PYKQGGPPYVBMGY-UHFFFAOYSA-N 1 0 349.391 0.658 20 5 ECBDRO [NH3+][C@H]1C[C@H]2CN(c3nc4c(cc3[N+](=O)[O-])CCCC4)CCN2C1=O ZINC000565232224 438930788 /nfs/dbraw/zinc/93/07/88/438930788.db2.gz ADXWJKPEBQOZPS-RYUDHWBXSA-N 1 0 331.376 0.617 20 5 ECBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c1C ZINC000590585409 438936913 /nfs/dbraw/zinc/93/69/13/438936913.db2.gz AGUTZYCGLVPJNC-STQMWFEESA-N 1 0 343.405 0.507 20 5 ECBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000590586832 438937046 /nfs/dbraw/zinc/93/70/46/438937046.db2.gz UPERNGDGDBHYPY-RYUDHWBXSA-N 1 0 329.378 0.199 20 5 ECBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596179909 438937291 /nfs/dbraw/zinc/93/72/91/438937291.db2.gz UYFYORSLENWNAR-VHSXEESVSA-N 1 0 328.394 0.771 20 5 ECBDRO CCNC(=O)C(C)(C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000459563488 438975988 /nfs/dbraw/zinc/97/59/88/438975988.db2.gz QONSJIVTRXIQBW-LBPRGKRZSA-N 1 0 325.365 0.839 20 5 ECBDRO CCS(=O)(=O)NCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000579227449 438990632 /nfs/dbraw/zinc/99/06/32/438990632.db2.gz ITYTVXQDXSBBBQ-UHFFFAOYSA-N 1 0 344.393 0.452 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](CC[NH3+])C(F)F ZINC000591450084 439014504 /nfs/dbraw/zinc/01/45/04/439014504.db2.gz ZEIPPOPRQXUTSR-SSDOTTSWSA-N 1 0 339.320 0.864 20 5 ECBDRO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591438097 439015175 /nfs/dbraw/zinc/01/51/75/439015175.db2.gz KXIYSNFUYVANKY-ONGXEEELSA-N 1 0 326.378 0.430 20 5 ECBDRO Cc1nn(C)c(C)c1CCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000520798585 439095207 /nfs/dbraw/zinc/09/52/07/439095207.db2.gz XOBKFIJWRKGENW-CQSZACIVSA-N 1 0 336.396 0.725 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H](O)[C@H]1CCOC1 ZINC000580551440 439104104 /nfs/dbraw/zinc/10/41/04/439104104.db2.gz NXMUXBQQWKQTNV-SCRDCRAPSA-N 1 0 326.349 0.322 20 5 ECBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CN(C)CCO1 ZINC000591756650 439081143 /nfs/dbraw/zinc/08/11/43/439081143.db2.gz MRXPVJZIJZDUEL-WOSRLPQWSA-N 1 0 339.392 0.643 20 5 ECBDRO CCC1([NH+](C)C)CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000602967606 439170599 /nfs/dbraw/zinc/17/05/99/439170599.db2.gz MKZDXIAQVPWPLR-AWEZNQCLSA-N 1 0 325.413 0.958 20 5 ECBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCC([N@H+](C)CCCO)CC1 ZINC000602785532 439134717 /nfs/dbraw/zinc/13/47/17/439134717.db2.gz WFUPXHVVSXCHPI-UHFFFAOYSA-N 1 0 325.413 0.878 20 5 ECBDRO O=C(NCC[C@H]1CC[NH2+]C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000580942387 439150981 /nfs/dbraw/zinc/15/09/81/439150981.db2.gz STNQOCGOTMZBJY-CYBMUJFWSA-N 1 0 348.407 0.821 20 5 ECBDRO C[NH+](C)C[C@]1(O)CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000602891776 439151974 /nfs/dbraw/zinc/15/19/74/439151974.db2.gz OZYGSLIIQVGBDW-MRXNPFEDSA-N 1 0 336.392 0.922 20 5 ECBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000592374248 439214679 /nfs/dbraw/zinc/21/46/79/439214679.db2.gz IDOTXHONLLWFGJ-ZWNOBZJWSA-N 1 0 343.405 0.894 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2cn3c(n2)CCCC3)c1 ZINC000581997916 439276141 /nfs/dbraw/zinc/27/61/41/439276141.db2.gz KFCOTVJRALGGGB-CQSZACIVSA-N 1 0 334.380 0.517 20 5 ECBDRO Cc1n[nH]c(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000598539162 439276228 /nfs/dbraw/zinc/27/62/28/439276228.db2.gz GLMTUVKPIIRDFE-NSHDSACASA-N 1 0 325.369 0.809 20 5 ECBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CCO1 ZINC000598540357 439276641 /nfs/dbraw/zinc/27/66/41/439276641.db2.gz ODCQRWXELSNNQF-LLVKDONJSA-N 1 0 337.380 0.755 20 5 ECBDRO CN(CC1C[NH+](C)C1)C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000598161186 439232489 /nfs/dbraw/zinc/23/24/89/439232489.db2.gz BUGFDLYFVJRJQJ-UHFFFAOYSA-N 1 0 346.343 0.211 20 5 ECBDRO CN(CCN1CC[NH2+]CC1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000592469156 439233850 /nfs/dbraw/zinc/23/38/50/439233850.db2.gz WXDUIESSIHMNTO-UHFFFAOYSA-N 1 0 336.348 0.301 20 5 ECBDRO C[C@@H]([NH3+])[C@H]1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592475944 439236099 /nfs/dbraw/zinc/23/60/99/439236099.db2.gz WZEZDGIDGOAKFU-BXUZGUMPSA-N 1 0 343.405 0.417 20 5 ECBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCCO1 ZINC000581823687 439254944 /nfs/dbraw/zinc/25/49/44/439254944.db2.gz WUVFKBWQZRZBIT-SNVBAGLBSA-N 1 0 337.332 0.556 20 5 ECBDRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000582052513 439284539 /nfs/dbraw/zinc/28/45/39/439284539.db2.gz AUYOPLQPKMTAFY-ZDUSSCGKSA-N 1 0 338.364 0.189 20 5 ECBDRO Nc1c(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cccc1[N+](=O)[O-] ZINC000598452279 439264976 /nfs/dbraw/zinc/26/49/76/439264976.db2.gz INGCAMGPXCWUHV-GFCCVEGCSA-N 1 0 334.376 0.848 20 5 ECBDRO COC(=O)[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H](C)O1 ZINC000593086849 439338673 /nfs/dbraw/zinc/33/86/73/439338673.db2.gz HMYBZJOYPFFNFU-JQWIXIFHSA-N 1 0 325.321 0.019 20 5 ECBDRO C[N@H+](CCNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000598894874 439324245 /nfs/dbraw/zinc/32/42/45/439324245.db2.gz SXFJIXIYPIDNQI-UHFFFAOYSA-N 1 0 335.364 0.927 20 5 ECBDRO C[NH2+]CCCN(C)C(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000582350523 439324280 /nfs/dbraw/zinc/32/42/80/439324280.db2.gz LUDFGQHXGVZPMY-UHFFFAOYSA-N 1 0 338.364 0.158 20 5 ECBDRO COC[C@]1(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)CC[NH2+]C1 ZINC000569481795 439337598 /nfs/dbraw/zinc/33/75/98/439337598.db2.gz RAMUDXMVGSOYPG-INIZCTEOSA-N 1 0 345.359 1.550 20 5 ECBDRO NS(=O)(=O)c1ccc(NCC[NH+]2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000598633385 439293346 /nfs/dbraw/zinc/29/33/46/439293346.db2.gz LJDXADSRTYRXLE-UHFFFAOYSA-N 1 0 344.393 0.111 20 5 ECBDRO C[C@]1(C[NH3+])CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598665493 439299390 /nfs/dbraw/zinc/29/93/90/439299390.db2.gz OWJUTKUMUMHOEW-OAHLLOKOSA-N 1 0 335.364 0.914 20 5 ECBDRO CCn1cc(S(=O)(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)c([N+](=O)[O-])n1 ZINC000598727578 439307285 /nfs/dbraw/zinc/30/72/85/439307285.db2.gz XUXOCPOSCQIIHI-SKDRFNHKSA-N 1 0 329.382 0.313 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)n1 ZINC000599104894 439358478 /nfs/dbraw/zinc/35/84/78/439358478.db2.gz VRPWKNAJUFYRTL-GHMZBOCLSA-N 1 0 343.409 0.481 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000599230501 439392928 /nfs/dbraw/zinc/39/29/28/439392928.db2.gz PICBNHQNLYIZDS-SNVBAGLBSA-N 1 0 329.382 0.187 20 5 ECBDRO CN(C(=O)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000570156127 439396160 /nfs/dbraw/zinc/39/61/60/439396160.db2.gz YGIGNLLUFLZBQP-AWEZNQCLSA-N 1 0 339.396 0.533 20 5 ECBDRO CC(C)Oc1nc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000570409244 439419349 /nfs/dbraw/zinc/41/93/49/439419349.db2.gz DYPWVBXTWTXUQR-WDEREUQCSA-N 1 0 335.364 0.525 20 5 ECBDRO C[C@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599346590 439442042 /nfs/dbraw/zinc/44/20/42/439442042.db2.gz KZLKZUNTZWGWAW-LLVKDONJSA-N 1 0 345.425 0.727 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)n1 ZINC000599270326 439409396 /nfs/dbraw/zinc/40/93/96/439409396.db2.gz GUKBWWXNAAOJIV-UHFFFAOYSA-N 1 0 331.398 0.291 20 5 ECBDRO Cc1c(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000583511822 439475053 /nfs/dbraw/zinc/47/50/53/439475053.db2.gz ZFGYGCAHMWSSFC-QWHCGFSZSA-N 1 0 347.375 0.357 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H](CO)CN1CCCC1 ZINC000583871908 439522754 /nfs/dbraw/zinc/52/27/54/439522754.db2.gz HYNUOGPNGHUWIL-ZIAGYGMSSA-N 1 0 339.392 0.381 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594198953 439526159 /nfs/dbraw/zinc/52/61/59/439526159.db2.gz WMEULGDLIZIONK-KBPBESRZSA-N 1 0 334.376 0.890 20 5 ECBDRO Cc1ccc(C[C@H](CO)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1C ZINC000583934495 439528861 /nfs/dbraw/zinc/52/88/61/439528861.db2.gz IHVSKFYWCIHEID-NVXWUHKLSA-N 1 0 348.403 0.962 20 5 ECBDRO Nc1nccc(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000594255644 439531908 /nfs/dbraw/zinc/53/19/08/439531908.db2.gz JACKQCWTQMTVPU-LBPRGKRZSA-N 1 0 349.391 0.899 20 5 ECBDRO CCc1ccc(S(=O)(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000571878175 439539319 /nfs/dbraw/zinc/53/93/19/439539319.db2.gz PTPKUQZNRGDXSX-AWEZNQCLSA-N 1 0 343.405 0.502 20 5 ECBDRO CNc1nccc(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)c1[N+](=O)[O-] ZINC000571895431 439540535 /nfs/dbraw/zinc/54/05/35/439540535.db2.gz STYGSEIXDSZRPM-NSHDSACASA-N 1 0 337.380 0.608 20 5 ECBDRO CC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599705609 439541222 /nfs/dbraw/zinc/54/12/22/439541222.db2.gz XQXKEVLCQCXFGK-JSGCOSHPSA-N 1 0 325.369 0.143 20 5 ECBDRO CNc1c(C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)cccc1[N+](=O)[O-] ZINC000594357852 439547432 /nfs/dbraw/zinc/54/74/32/439547432.db2.gz PFQFRUDXCWWYHZ-MRXNPFEDSA-N 1 0 334.376 0.823 20 5 ECBDRO C[NH+](C)[C@H]1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000594359189 439547587 /nfs/dbraw/zinc/54/75/87/439547587.db2.gz WTVCAYOEWBAKQS-QWRGUYRKSA-N 1 0 345.302 0.943 20 5 ECBDRO CN1C[C@@H]([N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCC1=O ZINC000572100430 439556380 /nfs/dbraw/zinc/55/63/80/439556380.db2.gz XEEYVCFNHLQGLP-UONOGXRCSA-N 1 0 337.376 0.887 20 5 ECBDRO CN1C[C@H]([N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCC1=O ZINC000572100429 439557407 /nfs/dbraw/zinc/55/74/07/439557407.db2.gz XEEYVCFNHLQGLP-KGLIPLIRSA-N 1 0 337.376 0.887 20 5 ECBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000609359030 439567073 /nfs/dbraw/zinc/56/70/73/439567073.db2.gz LFHAKAJFPZSRPT-CQSZACIVSA-N 1 0 349.391 0.734 20 5 ECBDRO COc1ccc(NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000599890373 439571512 /nfs/dbraw/zinc/57/15/12/439571512.db2.gz GYRIWFPEGQUHNU-ZDUSSCGKSA-N 1 0 348.359 0.943 20 5 ECBDRO CN(CCOCC[NH3+])C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000599925642 439575096 /nfs/dbraw/zinc/57/50/96/439575096.db2.gz SVQMSMZPVHCGTL-UHFFFAOYSA-N 1 0 326.353 0.590 20 5 ECBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000599941384 439580344 /nfs/dbraw/zinc/58/03/44/439580344.db2.gz YPMMJGYXLYKAJT-NWDGAFQWSA-N 1 0 334.380 0.572 20 5 ECBDRO [NH3+]C1(CNC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCC1 ZINC000584459662 439589950 /nfs/dbraw/zinc/58/99/50/439589950.db2.gz HJSSJCNNJNTAKX-UHFFFAOYSA-N 1 0 334.380 0.703 20 5 ECBDRO CN(CCC[NH3+])C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000573306431 439639412 /nfs/dbraw/zinc/63/94/12/439639412.db2.gz NRPPXXTZJHMTAF-UHFFFAOYSA-N 1 0 346.290 0.942 20 5 ECBDRO CCC[C@H](O)[C@@H](CO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000573489521 439649102 /nfs/dbraw/zinc/64/91/02/439649102.db2.gz GRLBUWLCUNISCN-KGLIPLIRSA-N 1 0 346.405 0.480 20 5 ECBDRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C[C@H]1C[NH3+] ZINC000595109857 439654682 /nfs/dbraw/zinc/65/46/82/439654682.db2.gz WEYADPBZWNBXKD-OUAUKWLOSA-N 1 0 328.394 0.984 20 5 ECBDRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C[C@H]1C[NH3+] ZINC000595109855 439654994 /nfs/dbraw/zinc/65/49/94/439654994.db2.gz WEYADPBZWNBXKD-GMTAPVOTSA-N 1 0 328.394 0.984 20 5 ECBDRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1 ZINC000586101486 439657414 /nfs/dbraw/zinc/65/74/14/439657414.db2.gz RHLDANQPHWDHIB-UHFFFAOYSA-N 1 0 346.347 0.862 20 5 ECBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000610489305 439620842 /nfs/dbraw/zinc/62/08/42/439620842.db2.gz ZVPURXKUJCTXPP-ZDUSSCGKSA-N 1 0 349.391 0.780 20 5 ECBDRO [NH3+]CC1(O)CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000573844419 439671656 /nfs/dbraw/zinc/67/16/56/439671656.db2.gz UXWWCZRXJQJTQE-UHFFFAOYSA-N 1 0 337.332 0.292 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCN2CC[C@H](O)C2)cc1 ZINC000600760679 439701719 /nfs/dbraw/zinc/70/17/19/439701719.db2.gz MZUFLHGJUGUOFJ-ZDUSSCGKSA-N 1 0 343.405 0.025 20 5 ECBDRO COc1ccc(NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1[N+](=O)[O-] ZINC000595231231 439677173 /nfs/dbraw/zinc/67/71/73/439677173.db2.gz NYELLBAHGRZGQK-QWRGUYRKSA-N 1 0 349.347 0.379 20 5 ECBDRO COc1ccc(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)cc1[N+](=O)[O-] ZINC000595251631 439682407 /nfs/dbraw/zinc/68/24/07/439682407.db2.gz QIGUTTBFURIKQW-UHFFFAOYSA-N 1 0 334.332 0.410 20 5 ECBDRO O=[N+]([O-])c1cnc2ccc(N3CCN(C[C@@H]4CCCO4)CC3)nn21 ZINC000611239224 439684487 /nfs/dbraw/zinc/68/44/87/439684487.db2.gz LKZFGEMPZFLCSS-LBPRGKRZSA-N 1 0 332.364 0.939 20 5 ECBDRO C[C@H](NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000595264393 439685562 /nfs/dbraw/zinc/68/55/62/439685562.db2.gz XGAQMDCBMAJOBE-BPNCWPANSA-N 1 0 347.375 0.609 20 5 ECBDRO O=C(N1CC[NH2+]CC1)N1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000600712916 439693481 /nfs/dbraw/zinc/69/34/81/439693481.db2.gz DGGKDOFUMSCNIZ-UHFFFAOYSA-N 1 0 339.421 0.799 20 5 ECBDRO O=C(N1CC[NH2+]CC1)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000600714056 439693877 /nfs/dbraw/zinc/69/38/77/439693877.db2.gz ORCOZYSWNNENAG-UHFFFAOYSA-N 1 0 333.392 0.738 20 5 ECBDRO Cn1ccnc1[C@H](NC[C@H]1COCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000600710369 439694255 /nfs/dbraw/zinc/69/42/55/439694255.db2.gz NNSJXLGRMFZCTL-DZGCQCFKSA-N 1 0 331.376 0.996 20 5 ECBDRO COc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000611871405 439733827 /nfs/dbraw/zinc/73/38/27/439733827.db2.gz NOZFKDJSFRTVJT-LLVKDONJSA-N 1 0 336.348 0.752 20 5 ECBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000618923343 440177902 /nfs/dbraw/zinc/17/79/02/440177902.db2.gz GIHBKCNEVWLWPN-CQSZACIVSA-N 1 0 325.369 0.097 20 5 ECBDRO Nc1c(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000288541301 320653923 /nfs/dbraw/zinc/65/39/23/320653923.db2.gz AIJSVSMFMVZAJD-LLVKDONJSA-N 1 0 337.355 0.436 20 5 ECBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@H](O)C[NH+](C)C ZINC000342144303 321075481 /nfs/dbraw/zinc/07/54/81/321075481.db2.gz ZFBCKGUMHQFERX-NSHDSACASA-N 1 0 338.364 0.189 20 5 ECBDRO C[NH+](C)Cc1ccc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)cc1F ZINC000343015915 321116855 /nfs/dbraw/zinc/11/68/55/321116855.db2.gz RUIMODGZNAQSDH-UHFFFAOYSA-N 1 0 336.327 0.703 20 5 ECBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCOCC[NH+](C)C ZINC000347185790 321233193 /nfs/dbraw/zinc/23/31/93/321233193.db2.gz VRZABFCYIGZFJI-UHFFFAOYSA-N 1 0 331.394 0.760 20 5 ECBDRO C[C@@](CO)([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(O)c1 ZINC000347724727 321248679 /nfs/dbraw/zinc/24/86/79/321248679.db2.gz VENAVDSMXGADBE-CABCVRRESA-N 1 0 336.348 0.355 20 5 ECBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)c1 ZINC000351880478 321338655 /nfs/dbraw/zinc/33/86/55/321338655.db2.gz KJVIIZVCAUEXIX-AWEZNQCLSA-N 1 0 345.421 0.803 20 5 ECBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352517259 321363133 /nfs/dbraw/zinc/36/31/33/321363133.db2.gz CMIBJFHJPKRUMH-KGLIPLIRSA-N 1 0 347.419 0.901 20 5 ECBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000356451716 321531764 /nfs/dbraw/zinc/53/17/64/321531764.db2.gz AOURJITUUMLCJD-UHFFFAOYSA-N 1 0 332.364 0.927 20 5 ECBDRO CC[NH2+]CCCNC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000563611457 322332970 /nfs/dbraw/zinc/33/29/70/322332970.db2.gz FOIXOBGSPQRNTE-UHFFFAOYSA-N 1 0 334.376 0.595 20 5 ECBDRO O=C(C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000564670401 322387078 /nfs/dbraw/zinc/38/70/78/322387078.db2.gz OXYFJLVXCJGVGG-CQSZACIVSA-N 1 0 337.376 0.937 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ZINC000567709152 322593863 /nfs/dbraw/zinc/59/38/63/322593863.db2.gz HUSGMCRWDANDCT-GFCCVEGCSA-N 1 0 337.336 0.354 20 5 ECBDRO Cc1c(C(=O)N[C@H](C)C[C@H](C)[NH3+])cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000569246455 322648403 /nfs/dbraw/zinc/64/84/03/322648403.db2.gz CUBSAFHUIOJJJR-JGVFFNPUSA-N 1 0 344.393 0.406 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000569360619 322652007 /nfs/dbraw/zinc/65/20/07/322652007.db2.gz FMHGFCPDLSSHON-AAEUAGOBSA-N 1 0 334.376 0.829 20 5 ECBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000570936094 322704638 /nfs/dbraw/zinc/70/46/38/322704638.db2.gz SEBSPVKJKUIGLN-LLVKDONJSA-N 1 0 325.369 0.891 20 5 ECBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000571551795 322725923 /nfs/dbraw/zinc/72/59/23/322725923.db2.gz UZFMAZIOJCRPBB-NSHDSACASA-N 1 0 337.380 0.393 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H](CO)Cc1ccncc1 ZINC000573564996 322763897 /nfs/dbraw/zinc/76/38/97/322763897.db2.gz PMWLRHTVVPGYTF-HUUCEWRRSA-N 1 0 347.371 0.923 20 5 ECBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](CO)CC[NH+](CC)CC)n1 ZINC000575070965 322790416 /nfs/dbraw/zinc/79/04/16/322790416.db2.gz JWUVHEWPOZKDLJ-LLVKDONJSA-N 1 0 327.385 0.634 20 5 ECBDRO CC[N@H+](CCO)CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000184006336 528550444 /nfs/dbraw/zinc/55/04/44/528550444.db2.gz ILVHSXJDCYTCCR-UHFFFAOYSA-N 1 0 347.375 0.825 20 5 ECBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NC1C[NH2+]C1 ZINC000236624908 545925596 /nfs/dbraw/zinc/92/55/96/545925596.db2.gz QKEZVBOHWQWQQV-UHFFFAOYSA-N 1 0 336.167 0.607 20 5 ECBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000600809161 546297100 /nfs/dbraw/zinc/29/71/00/546297100.db2.gz TZMAYFQKSALBNP-ZDUSSCGKSA-N 1 0 345.359 0.577 20 5 ECBDRO C[NH+](C)C[C@](C)(O)CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000752481481 579386067 /nfs/dbraw/zinc/38/60/67/579386067.db2.gz NVMPANRKTYSRGN-OAHLLOKOSA-N 1 0 335.364 0.373 20 5 ECBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000758165646 579468009 /nfs/dbraw/zinc/46/80/09/579468009.db2.gz PZZBTSFAFJDWQU-ZDUSSCGKSA-N 1 0 349.391 0.945 20 5 ECBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@H]1C ZINC000736145458 578410987 /nfs/dbraw/zinc/41/09/87/578410987.db2.gz CAVPGHBIGUOLSE-MNOVXSKESA-N 1 0 347.379 0.666 20 5 ECBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC([NH3+])(CO)CC1 ZINC000786780946 578793880 /nfs/dbraw/zinc/79/38/80/578793880.db2.gz JJYOZKQNEGKYPB-UHFFFAOYSA-N 1 0 329.378 0.288 20 5 ECBDRO C[C@@H]1C[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1O ZINC000768767352 579131353 /nfs/dbraw/zinc/13/13/53/579131353.db2.gz FBUGNLDMJVTZAL-CZUORRHYSA-N 1 0 348.403 0.556 20 5 ECBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+](CCO)CCN2CCOCC2)cc1 ZINC000776591237 579285199 /nfs/dbraw/zinc/28/51/99/579285199.db2.gz HYQDLMDUHAURCL-INIZCTEOSA-N 1 0 339.392 0.255 20 5 ECBDRO CC[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC(=O)NC ZINC000741787805 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NC(=O)CC(=O)N1CC2(C1)CC[NH+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC001050468619 760315830 /nfs/dbraw/zinc/31/58/30/760315830.db2.gz XIUFCFDYAGKJIM-UHFFFAOYSA-N 1 0 346.387 0.895 20 5 ECBDRO CC(C)(C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)[NH+]1CCCCC1 ZINC000991851249 763978937 /nfs/dbraw/zinc/97/89/37/763978937.db2.gz YWBHJLXWKDXCTC-CHWSQXEVSA-N 1 0 338.408 0.243 20 5 ECBDRO CC(C)[C@H]([NH3+])C(=O)NCc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001212276987 767074502 /nfs/dbraw/zinc/07/45/02/767074502.db2.gz WTOZVHSJDSFRRB-JTQLQIEISA-N 1 0 338.299 0.778 20 5 ECBDRO CCN(CCNc1ncc([N+](=O)[O-])c(N)n1)C(=O)C[N@H+](C)C(C)C ZINC001106778618 768941800 /nfs/dbraw/zinc/94/18/00/768941800.db2.gz FSOJCKYJFVSXHA-UHFFFAOYSA-N 1 0 339.400 0.568 20 5 ECBDRO Cc1cc(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)n[nH]1 ZINC001020066578 772119966 /nfs/dbraw/zinc/11/99/66/772119966.db2.gz NCERJENUBMFUIE-XYPYZODXSA-N 1 0 347.379 0.339 20 5 ECBDRO Cn1nncc1C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001040701318 783297780 /nfs/dbraw/zinc/29/77/80/783297780.db2.gz ZAJYLCMKWWBLJH-ZIAGYGMSSA-N 1 0 348.407 0.295 20 5 ECBDRO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)CCc1cn(C)nn1 ZINC001267478325 837520698 /nfs/dbraw/zinc/52/06/98/837520698.db2.gz PJNXDNVWUULYGU-UHFFFAOYSA-N 1 0 346.391 0.904 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)COCC(F)F)C1 ZINC001266607920 836041465 /nfs/dbraw/zinc/04/14/65/836041465.db2.gz OVBRDMBYNSWJLE-KYZUINATSA-N 1 0 347.322 0.347 20 5 ECBDRO NC(=O)NCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001266636967 836073044 /nfs/dbraw/zinc/07/30/44/836073044.db2.gz WAXMOVFLUVDMOW-HAQNSBGRSA-N 1 0 335.364 0.390 20 5 ECBDRO O=C(c1cnco1)N(CCO)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001279782733 838611354 /nfs/dbraw/zinc/61/13/54/838611354.db2.gz QAQJACDJKYSUTO-UHFFFAOYSA-N 1 0 334.332 0.807 20 5 ECBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000427612153 210209765 /nfs/dbraw/zinc/20/97/65/210209765.db2.gz LIZWCPAIBCYAJQ-BXUZGUMPSA-N 1 0 349.391 0.508 20 5 ECBDRO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000132803226 530044964 /nfs/dbraw/zinc/04/49/64/530044964.db2.gz BLISIMHEAAFYTB-GFCCVEGCSA-N 1 0 330.348 1.000 20 5 ECBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@@H]2CCCOC2)c1 ZINC000178006033 232056676 /nfs/dbraw/zinc/05/66/76/232056676.db2.gz GIIPNWZARXHVPF-LLVKDONJSA-N 1 0 329.378 0.642 20 5 ECBDRO C[C@H]1OCC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000178683888 232373656 /nfs/dbraw/zinc/37/36/56/232373656.db2.gz JBEMUXKKSRRJFB-MFKMUULPSA-N 1 0 329.378 0.640 20 5 ECBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000067483457 215151734 /nfs/dbraw/zinc/15/17/34/215151734.db2.gz SXEIUQIABCFIAG-NSHDSACASA-N 1 0 330.348 0.857 20 5 ECBDRO Cn1cc([C@@H]2CN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@H]2[NH3+])cn1 ZINC000424283958 209905332 /nfs/dbraw/zinc/90/53/32/209905332.db2.gz BPCVBHVLXPAVBL-UONOGXRCSA-N 1 0 344.375 0.354 20 5 ECBDRO C[NH+]1CCC(O)(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000355280465 299230561 /nfs/dbraw/zinc/23/05/61/299230561.db2.gz ADUWKBKELPTCNA-UHFFFAOYSA-N 1 0 336.348 0.106 20 5 ECBDRO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000355313314 299237479 /nfs/dbraw/zinc/23/74/79/299237479.db2.gz HEYCESQQMFONCS-OLZOCXBDSA-N 1 0 336.348 0.631 20 5 ECBDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000186964443 236080859 /nfs/dbraw/zinc/08/08/59/236080859.db2.gz CIZVHPWLDLLSIR-QWHCGFSZSA-N 1 0 336.392 0.920 20 5 ECBDRO COCCN(C)CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000189802409 237264532 /nfs/dbraw/zinc/26/45/32/237264532.db2.gz GZKCXDVNBZUJIU-UHFFFAOYSA-N 1 0 331.394 0.988 20 5 ECBDRO COc1c(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000355793769 299301858 /nfs/dbraw/zinc/30/18/58/299301858.db2.gz MAYYLUBBLABBQN-GFCCVEGCSA-N 1 0 336.392 0.969 20 5 ECBDRO C[NH2+]CCCN(C)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000420471811 209373953 /nfs/dbraw/zinc/37/39/53/209373953.db2.gz QQOOGNCKAWECTA-UHFFFAOYSA-N 1 0 345.377 0.596 20 5 ECBDRO CN(CC[NH3+])S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000420466215 209372241 /nfs/dbraw/zinc/37/22/41/209372241.db2.gz AIQISFFTWTZNGQ-UHFFFAOYSA-N 1 0 338.183 0.937 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000131486284 223238601 /nfs/dbraw/zinc/23/86/01/223238601.db2.gz VPBOACQQOLCDAJ-CYBMUJFWSA-N 1 0 339.396 0.453 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cccc1[N+](=O)[O-] ZINC000419761085 209200359 /nfs/dbraw/zinc/20/03/59/209200359.db2.gz OXFMTWAGOAHWML-GHMZBOCLSA-N 1 0 334.376 0.728 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000419761680 209199510 /nfs/dbraw/zinc/19/95/10/209199510.db2.gz QPDNGCXGFWFPLK-UHFFFAOYSA-N 1 0 334.376 0.730 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246658109 243287867 /nfs/dbraw/zinc/28/78/67/243287867.db2.gz HAFFFDFAGHVPOJ-RYUDHWBXSA-N 1 0 339.396 0.403 20 5 ECBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000264245054 246235846 /nfs/dbraw/zinc/23/58/46/246235846.db2.gz GAOMFHJOXBATAH-NEPJUHHUSA-N 1 0 334.376 0.781 20 5 ECBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449732153 211296033 /nfs/dbraw/zinc/29/60/33/211296033.db2.gz YTHRMZORBSVTTO-OSAQELSMSA-N 1 0 346.387 0.924 20 5 ECBDRO O=C(NC[C@H]1C[NH2+]CCCO1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000449708007 211293869 /nfs/dbraw/zinc/29/38/69/211293869.db2.gz FIHDLDLWHGACOG-GFCCVEGCSA-N 1 0 345.359 0.889 20 5 ECBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000449633621 211287414 /nfs/dbraw/zinc/28/74/14/211287414.db2.gz ZCKXXHSQAKVJCM-RKDXNWHRSA-N 1 0 348.354 0.926 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CO)[C@H]1CCCO1 ZINC000447924774 211218604 /nfs/dbraw/zinc/21/86/04/211218604.db2.gz XGPDCYJNHDMOEG-QWHCGFSZSA-N 1 0 339.348 0.671 20 5 ECBDRO CCn1cc(S(=O)(=O)NCC2([NH+](C)C)CCC2)c([N+](=O)[O-])n1 ZINC000445730887 211120386 /nfs/dbraw/zinc/12/03/86/211120386.db2.gz GQEDAPLLBBKFKF-UHFFFAOYSA-N 1 0 331.398 0.574 20 5 ECBDRO C[C@@H]1C[NH+](CCCCNC(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H](C)O1 ZINC000443676599 211031501 /nfs/dbraw/zinc/03/15/01/211031501.db2.gz VZKYHUYMMGCWGJ-VXGBXAGGSA-N 1 0 340.384 0.192 20 5 ECBDRO C[C@H](C[NH3+])CNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000441611383 210902058 /nfs/dbraw/zinc/90/20/58/210902058.db2.gz MUXSWNOAYFXBPC-MRVPVSSYSA-N 1 0 326.378 0.497 20 5 ECBDRO C[C@H]1[NH2+]CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C ZINC000436064727 210667011 /nfs/dbraw/zinc/66/70/11/210667011.db2.gz MZRYPZZXNCCOBA-NXEZZACHSA-N 1 0 336.348 0.944 20 5 ECBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000432515341 210484066 /nfs/dbraw/zinc/48/40/66/210484066.db2.gz RNCQNDSZPSGUGH-USWWRNFRSA-N 1 0 338.412 0.941 20 5 ECBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000430652436 210396220 /nfs/dbraw/zinc/39/62/20/210396220.db2.gz XKDDRPIRAVKHDA-GFCCVEGCSA-N 1 0 349.391 0.285 20 5 ECBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000415850426 208587407 /nfs/dbraw/zinc/58/74/07/208587407.db2.gz GQNDNGSGQCCHND-ZDUSSCGKSA-N 1 0 349.391 0.116 20 5 ECBDRO [NH3+]C[C@@H]1CCCCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000428967020 210291381 /nfs/dbraw/zinc/29/13/81/210291381.db2.gz LDFLHRJLGUPWCG-AWEZNQCLSA-N 1 0 349.391 0.734 20 5 ECBDRO COc1ccc(CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC000418931707 208914201 /nfs/dbraw/zinc/91/42/01/208914201.db2.gz HEAVQMFFKZOFCK-YPMHNXCESA-N 1 0 348.359 0.040 20 5 ECBDRO C[C@@H](NC(=O)C(=O)N1CCC(C[NH3+])CC1)c1ccccc1[N+](=O)[O-] ZINC000419154545 209004144 /nfs/dbraw/zinc/00/41/44/209004144.db2.gz RRQILLUQUSPJLH-LLVKDONJSA-N 1 0 334.376 0.969 20 5 ECBDRO CN(C)C(=O)O[C@@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000495870664 255051522 /nfs/dbraw/zinc/05/15/22/255051522.db2.gz VHTAPBULLWUWMU-QWHCGFSZSA-N 1 0 341.368 0.315 20 5 ECBDRO CN(C)C(=O)O[C@@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000495870662 255051719 /nfs/dbraw/zinc/05/17/19/255051719.db2.gz VHTAPBULLWUWMU-CHWSQXEVSA-N 1 0 341.368 0.315 20 5 ECBDRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000419163321 209007862 /nfs/dbraw/zinc/00/78/62/209007862.db2.gz JGLWTDMYTNUJTK-SECBINFHSA-N 1 0 342.783 0.836 20 5 ECBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000419329391 209061446 /nfs/dbraw/zinc/06/14/46/209061446.db2.gz FCHWECZXXZEWEM-VXGBXAGGSA-N 1 0 336.392 0.581 20 5 ECBDRO COc1ccc(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC000119084854 221241483 /nfs/dbraw/zinc/24/14/83/221241483.db2.gz FWMJZOFJPCQGRL-NXEZZACHSA-N 1 0 329.378 0.974 20 5 ECBDRO COc1ccc(NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000293052852 296784802 /nfs/dbraw/zinc/78/48/02/296784802.db2.gz AMAAYDVLGXJJRY-SNVBAGLBSA-N 1 0 338.364 0.856 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000154388236 164763532 /nfs/dbraw/zinc/76/35/32/164763532.db2.gz CWHBVSIXHAAXTR-CQSZACIVSA-N 1 0 341.389 0.978 20 5 ECBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)CN1c2cc([N+](=O)[O-])ccc2OCC1=O ZINC000261663402 165222843 /nfs/dbraw/zinc/22/28/43/165222843.db2.gz GJKXIRGTDJRHNS-QWRGUYRKSA-N 1 0 348.359 0.516 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CCC(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000261729684 165232867 /nfs/dbraw/zinc/23/28/67/165232867.db2.gz QYKLDGOIMVQIPF-UHFFFAOYSA-N 1 0 329.378 0.963 20 5 ECBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC1CC[NH2+]CC1 ZINC000262170161 165303415 /nfs/dbraw/zinc/30/34/15/165303415.db2.gz DVVQEJWPTODFAS-UHFFFAOYSA-N 1 0 334.332 0.188 20 5 ECBDRO COC[C@@]1(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC[NH2+]C1 ZINC000262305983 165325653 /nfs/dbraw/zinc/32/56/53/165325653.db2.gz YDZMEXNTBPZHTM-QGZVFWFLSA-N 1 0 348.403 0.870 20 5 ECBDRO COC[C@@]1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000262518052 165359656 /nfs/dbraw/zinc/35/96/56/165359656.db2.gz NSRKZDDZLJJBDB-ZDUSSCGKSA-N 1 0 329.378 0.642 20 5 ECBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000262537466 165360994 /nfs/dbraw/zinc/36/09/94/165360994.db2.gz QOCHTZXXGXHTRF-NXEZZACHSA-N 1 0 329.353 0.964 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[C@@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000262572446 165364417 /nfs/dbraw/zinc/36/44/17/165364417.db2.gz XPZHXYYCHCOSGA-ZDUSSCGKSA-N 1 0 329.378 0.963 20 5 ECBDRO C[NH2+]C[C@H]1CCCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000262589919 165366245 /nfs/dbraw/zinc/36/62/45/165366245.db2.gz RYTWPYSYWYNPDW-GFCCVEGCSA-N 1 0 348.359 0.531 20 5 ECBDRO CCOC(=O)c1cc(S(=O)(=O)NCCC[NH3+])cc([N+](=O)[O-])c1C ZINC000262728456 165377942 /nfs/dbraw/zinc/37/79/42/165377942.db2.gz BWSFLIQWESYXJC-UHFFFAOYSA-N 1 0 345.377 0.707 20 5 ECBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H]1[NH+]1CCCC1 ZINC000331639168 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0.231 20 5 ECBDRO COCCO[C@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000179342349 437259016 /nfs/dbraw/zinc/25/90/16/437259016.db2.gz DEUWSVRUYWQKJY-KBPBESRZSA-N 1 0 328.369 0.280 20 5 ECBDRO C[C@@H](CO)Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000267167526 437299696 /nfs/dbraw/zinc/29/96/96/437299696.db2.gz HFOOVSWHMFSRRV-JTQLQIEISA-N 1 0 346.409 0.227 20 5 ECBDRO O=C1NC(=O)[C@]2(CCC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)N1 ZINC000279058792 437369691 /nfs/dbraw/zinc/36/96/91/437369691.db2.gz LKNJPUUXWKAQQH-OAHLLOKOSA-N 1 0 334.332 0.648 20 5 ECBDRO CC[N@@H+]1CC[C@H]2OCCN(c3nccc(C(N)=O)c3[N+](=O)[O-])[C@H]2C1 ZINC000338734954 437414363 /nfs/dbraw/zinc/41/43/63/437414363.db2.gz YQKQIAPYHIUAQH-NWDGAFQWSA-N 1 0 335.364 0.388 20 5 ECBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000289206558 437387971 /nfs/dbraw/zinc/38/79/71/437387971.db2.gz KBIATVQWPOZLRI-GFCCVEGCSA-N 1 0 334.376 0.723 20 5 ECBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000184070275 437396452 /nfs/dbraw/zinc/39/64/52/437396452.db2.gz KDKMFMRLYVIXJB-GFCCVEGCSA-N 1 0 335.408 0.933 20 5 ECBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1[nH]nc(CC)c1[N+](=O)[O-] ZINC000269023861 437446822 /nfs/dbraw/zinc/44/68/22/437446822.db2.gz KNTWCOXYNLTNNO-JTQLQIEISA-N 1 0 327.385 0.967 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000290021893 437457692 /nfs/dbraw/zinc/45/76/92/437457692.db2.gz FLVKJXMMHLJANQ-YUTCNCBUSA-N 1 0 346.387 0.781 20 5 ECBDRO C[N@@H+]1CCC[C@H]1CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000353960638 437493592 /nfs/dbraw/zinc/49/35/92/437493592.db2.gz KECLAYLAVSXWHH-AWEZNQCLSA-N 1 0 349.391 0.604 20 5 ECBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(CCO)[C@@H](C)C1 ZINC000187657339 437509100 /nfs/dbraw/zinc/50/91/00/437509100.db2.gz FQFPWCDYURVYRJ-STQMWFEESA-N 1 0 336.392 0.920 20 5 ECBDRO CCn1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])n1 ZINC000330460436 437518495 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345.359 0.714 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000370776535 437834492 /nfs/dbraw/zinc/83/44/92/437834492.db2.gz TZAXHRJYDZBLHD-JSGCOSHPSA-N 1 0 337.380 0.408 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415673414 437839683 /nfs/dbraw/zinc/83/96/83/437839683.db2.gz MPXJFJIGRBIWKT-AOOOYVTPSA-N 1 0 334.332 0.220 20 5 ECBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000347164855 437845672 /nfs/dbraw/zinc/84/56/72/437845672.db2.gz ZMEBURPDTYFYSO-UHFFFAOYSA-N 1 0 327.385 0.759 20 5 ECBDRO CN(C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@H](C[NH3+])C1CC1 ZINC000423941885 437866060 /nfs/dbraw/zinc/86/60/60/437866060.db2.gz DKBAATQIMMDGDY-CQSZACIVSA-N 1 0 349.391 0.590 20 5 ECBDRO Cn1cc([C@@H]2CN(C(=O)Nc3ccncc3[N+](=O)[O-])C[C@H]2[NH3+])cn1 ZINC000424421577 437931597 /nfs/dbraw/zinc/93/15/97/437931597.db2.gz YQXGTEYMRBYZKC-WDEREUQCSA-N 1 0 331.336 0.104 20 5 ECBDRO COc1ccc(NC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000415904021 437880716 /nfs/dbraw/zinc/88/07/16/437880716.db2.gz ZHKPJZGFIKFBCQ-GHMZBOCLSA-N 1 0 348.359 0.610 20 5 ECBDRO COC[C@]1(CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCC[NH2+]1 ZINC000357263484 437949836 /nfs/dbraw/zinc/94/98/36/437949836.db2.gz YGVHSQOPTPTILT-CQSZACIVSA-N 1 0 325.369 0.411 20 5 ECBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000417932325 438092841 /nfs/dbraw/zinc/09/28/41/438092841.db2.gz CTCNUVPVMIKSOS-MRXNPFEDSA-N 1 0 347.419 0.826 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358216968 438184568 /nfs/dbraw/zinc/18/45/68/438184568.db2.gz UWMLJAVSFYBSKR-CYBMUJFWSA-N 1 0 329.378 0.248 20 5 ECBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358213157 438185209 /nfs/dbraw/zinc/18/52/09/438185209.db2.gz OOURDLKZYKPGIZ-CYBMUJFWSA-N 1 0 329.378 0.248 20 5 ECBDRO C[C@@H](NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000418787344 438188656 /nfs/dbraw/zinc/18/86/56/438188656.db2.gz UCUKITUCVUQZKZ-QKCSRTOESA-N 1 0 332.360 0.592 20 5 ECBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418670636 438174070 /nfs/dbraw/zinc/17/40/70/438174070.db2.gz LEYIQIFZNIHFHW-FICVDOATSA-N 1 0 331.376 0.644 20 5 ECBDRO C[C@H](NC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000418872635 438230332 /nfs/dbraw/zinc/23/03/32/438230332.db2.gz SHUJLXHUBXAYCA-GXTWGEPZSA-N 1 0 348.403 0.758 20 5 ECBDRO C[C@H]1CCCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000418874107 438231027 /nfs/dbraw/zinc/23/10/27/438231027.db2.gz VCAMEUTYFZPNBF-SWLSCSKDSA-N 1 0 348.403 0.839 20 5 ECBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)NCCc3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000418922971 438251373 /nfs/dbraw/zinc/25/13/73/438251373.db2.gz LOXGYFWLAJFZPT-VHDGCEQUSA-N 1 0 346.387 0.449 20 5 ECBDRO COc1ccc(CNC(=O)C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000418934232 438253605 /nfs/dbraw/zinc/25/36/05/438253605.db2.gz IVWXOZNPMRZMSZ-ONGXEEELSA-N 1 0 336.348 0.025 20 5 ECBDRO O=C1NC[C@@H]2C[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@@H]12 ZINC000377666985 438322087 /nfs/dbraw/zinc/32/20/87/438322087.db2.gz CREKLPJKWHBMRY-UXIGCNINSA-N 1 0 335.360 0.402 20 5 ECBDRO C[N@H+](C[C@@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000351713987 438325053 /nfs/dbraw/zinc/32/50/53/438325053.db2.gz XYYCLJIOAJROIV-SWLSCSKDSA-N 1 0 335.408 0.931 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000358894001 438325422 /nfs/dbraw/zinc/32/54/22/438325422.db2.gz APCAMCGHYKMTCG-UHFFFAOYSA-N 1 0 334.376 0.749 20 5 ECBDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000419032313 438297106 /nfs/dbraw/zinc/29/71/06/438297106.db2.gz BAEQXUXHBZRVLP-CYBMUJFWSA-N 1 0 336.392 0.887 20 5 ECBDRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000359152142 438366773 /nfs/dbraw/zinc/36/67/73/438366773.db2.gz AYSHDSPBTXPOAP-AWEZNQCLSA-N 1 0 348.403 0.841 20 5 ECBDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000352119274 438386534 /nfs/dbraw/zinc/38/65/34/438386534.db2.gz DKPMODOHUARHPU-OAHLLOKOSA-N 1 0 325.365 0.793 20 5 ECBDRO CCO[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C[NH3+] ZINC000405757826 438469633 /nfs/dbraw/zinc/46/96/33/438469633.db2.gz FWRZBOYGMJUNSW-DGCLKSJQSA-N 1 0 343.405 0.888 20 5 ECBDRO COC(=O)CC1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000438836007 438486862 /nfs/dbraw/zinc/48/68/62/438486862.db2.gz XWVSDHBPSDINII-CYBMUJFWSA-N 1 0 326.353 0.427 20 5 ECBDRO CC[C@@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000439159510 438501503 /nfs/dbraw/zinc/50/15/03/438501503.db2.gz JJRRNYYLFWALTD-NWDGAFQWSA-N 1 0 336.392 0.975 20 5 ECBDRO C[C@H]1C[N@@H+](C2CCN(C(=O)c3cc([N+](=O)[O-])cnc3N)CC2)CCO1 ZINC000359817276 438502351 /nfs/dbraw/zinc/50/23/51/438502351.db2.gz XVUGSGGEPNYBKH-NSHDSACASA-N 1 0 349.391 0.897 20 5 ECBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000422018418 438510752 /nfs/dbraw/zinc/51/07/52/438510752.db2.gz JFNCSSNQKKLFCE-AWEZNQCLSA-N 1 0 334.376 0.877 20 5 ECBDRO O=C(N[C@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1)C1CCC1 ZINC000369825417 438520620 /nfs/dbraw/zinc/52/06/20/438520620.db2.gz IRWYYHBDAWDKBJ-JSGCOSHPSA-N 1 0 337.380 0.143 20 5 ECBDRO COc1c(F)cc(S(=O)(=O)N2C[C@H](C)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000440840527 438567385 /nfs/dbraw/zinc/56/73/85/438567385.db2.gz ACQVFKQXNVHGJH-OIBJUYFYSA-N 1 0 333.341 0.710 20 5 ECBDRO C[C@@H](C[NH3+])CNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000441611384 438588606 /nfs/dbraw/zinc/58/86/06/438588606.db2.gz MUXSWNOAYFXBPC-QMMMGPOBSA-N 1 0 326.378 0.497 20 5 ECBDRO COc1cc(S(=O)(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000451881450 438612294 /nfs/dbraw/zinc/61/22/94/438612294.db2.gz YTBZOYWBIOZZGL-GXFFZTMASA-N 1 0 341.389 0.928 20 5 ECBDRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000423094598 438637662 /nfs/dbraw/zinc/63/76/62/438637662.db2.gz CBXVFOQANKSBOV-CYBMUJFWSA-N 1 0 334.376 0.764 20 5 ECBDRO C[C@@H]1CN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C[C@H](C)[NH2+]1 ZINC000423314022 438660889 /nfs/dbraw/zinc/66/08/89/438660889.db2.gz XVAKWFJMXRRTMB-TXEJJXNPSA-N 1 0 346.387 0.688 20 5 ECBDRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000423314603 438661040 /nfs/dbraw/zinc/66/10/40/438661040.db2.gz YLVIDIDVFDLRJV-KRWDZBQOSA-N 1 0 346.387 0.677 20 5 ECBDRO C[C@H]1CN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC[C@H]1[NH3+] ZINC000423302687 438657528 /nfs/dbraw/zinc/65/75/28/438657528.db2.gz HXBPWJCMNYGXGQ-XHDPSFHLSA-N 1 0 346.387 0.675 20 5 ECBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CNCCN1C ZINC000414974394 438725180 /nfs/dbraw/zinc/72/51/80/438725180.db2.gz KFFXETRAQNOCMB-DOMZBBRYSA-N 1 0 335.408 0.805 20 5 ECBDRO Cn1cc(CNC[C@@H]2C[NH2+]CCN2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414977215 438725581 /nfs/dbraw/zinc/72/55/81/438725581.db2.gz POQHKQJKEUTIKB-INIZCTEOSA-N 1 0 344.419 0.989 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000575239417 438743543 /nfs/dbraw/zinc/74/35/43/438743543.db2.gz YBESIQCPPBYPBQ-YRGRVCCFSA-N 1 0 326.349 0.010 20 5 ECBDRO COC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000497196700 438777802 /nfs/dbraw/zinc/77/78/02/438777802.db2.gz NSMIEFBDEWDDLA-QMMMGPOBSA-N 1 0 346.365 0.789 20 5 ECBDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000457117879 438793335 /nfs/dbraw/zinc/79/33/35/438793335.db2.gz GZTBABBDRMTGLS-OLZOCXBDSA-N 1 0 333.392 0.836 20 5 ECBDRO [NH3+][C@H]1C[C@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CCN2C1=O ZINC000577077745 438812480 /nfs/dbraw/zinc/81/24/80/438812480.db2.gz OTDYXKOIPZGDRL-QWRGUYRKSA-N 1 0 331.332 0.480 20 5 ECBDRO CO[C@@]1(CO)CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000595658451 438839988 /nfs/dbraw/zinc/83/99/88/438839988.db2.gz JLJYJUDYDXGRAT-BBRMVZONSA-N 1 0 340.376 0.808 20 5 ECBDRO C[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C(=O)NCC[NH+](C)C ZINC000588873931 438845173 /nfs/dbraw/zinc/84/51/73/438845173.db2.gz UAZMWJBJSHMVEQ-SECBINFHSA-N 1 0 348.363 0.267 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@H](CO)[C@H](O)C2)c1 ZINC000515581159 438874686 /nfs/dbraw/zinc/87/46/86/438874686.db2.gz SOGVSEWTDGZELB-UXIGCNINSA-N 1 0 326.349 0.010 20 5 ECBDRO O=C(NCC12CC(C1)C[NH2+]2)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000595985963 438909305 /nfs/dbraw/zinc/90/93/05/438909305.db2.gz GHDGFMVYXDIACJ-CSJGVYOVSA-N 1 0 348.359 0.661 20 5 ECBDRO CC(C)CN1CCO[C@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000516533149 438912810 /nfs/dbraw/zinc/91/28/10/438912810.db2.gz WCNJIQLSJKRPKZ-HUUCEWRRSA-N 1 0 341.412 0.099 20 5 ECBDRO C[NH+](C)C1CC(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000590356280 438914036 /nfs/dbraw/zinc/91/40/36/438914036.db2.gz XHXGPOLRLVYRTG-UHFFFAOYSA-N 1 0 348.359 0.529 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000590444202 438925307 /nfs/dbraw/zinc/92/53/07/438925307.db2.gz MCTOYAOKWDYNCG-UKRRQHHQSA-N 1 0 346.387 0.796 20 5 ECBDRO Cn1cnc(CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000565358992 438944010 /nfs/dbraw/zinc/94/40/10/438944010.db2.gz NESSZCBYHYHNLB-UHFFFAOYSA-N 1 0 339.377 0.329 20 5 ECBDRO COc1ccc(CNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000596179465 438935998 /nfs/dbraw/zinc/93/59/98/438935998.db2.gz QAAIKBUAAFDKQT-STQMWFEESA-N 1 0 338.364 0.420 20 5 ECBDRO O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000601583659 438938144 /nfs/dbraw/zinc/93/81/44/438938144.db2.gz XEAVEICDSZUSHK-JSGCOSHPSA-N 1 0 344.371 0.659 20 5 ECBDRO CCc1ccc(S(=O)(=O)N2CCO[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000578768813 438952390 /nfs/dbraw/zinc/95/23/90/438952390.db2.gz UVDYFMXKDFOICH-LLVKDONJSA-N 1 0 329.378 0.505 20 5 ECBDRO C[N@@H+]1CC[C@H](CC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602059435 439004573 /nfs/dbraw/zinc/00/45/73/439004573.db2.gz ZMDIISPLYGPRQN-CYBMUJFWSA-N 1 0 333.392 0.980 20 5 ECBDRO C[C@@H](CS(C)(=O)=O)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566118233 439007751 /nfs/dbraw/zinc/00/77/51/439007751.db2.gz YKKRVXYKYIYKJB-WDEREUQCSA-N 1 0 332.378 0.357 20 5 ECBDRO O=C(N[C@H]1CCC[NH2+]CC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000591360271 439009950 /nfs/dbraw/zinc/00/99/50/439009950.db2.gz GGZGMYHHSGMSQY-ZDUSSCGKSA-N 1 0 348.407 0.964 20 5 ECBDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000591477947 439018321 /nfs/dbraw/zinc/01/83/21/439018321.db2.gz HXKMMDHAKXFRMV-CYBMUJFWSA-N 1 0 343.405 0.984 20 5 ECBDRO CN1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)[C@H](C[NH3+])C1 ZINC000579834833 439039431 /nfs/dbraw/zinc/03/94/31/439039431.db2.gz VXWNWDLNXFFTIU-CQSZACIVSA-N 1 0 344.375 0.495 20 5 ECBDRO COc1cc(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1O ZINC000591756761 439081086 /nfs/dbraw/zinc/08/10/86/439081086.db2.gz ZGBHOTJPTSMEBD-ZDUSSCGKSA-N 1 0 336.348 0.699 20 5 ECBDRO O=C1NC2(CC[NH2+]CC2)C(=O)N1CCOc1ccccc1[N+](=O)[O-] ZINC000592168787 439172623 /nfs/dbraw/zinc/17/26/23/439172623.db2.gz LLQYBXYJYMJEFL-UHFFFAOYSA-N 1 0 334.332 0.648 20 5 ECBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000597575456 439130742 /nfs/dbraw/zinc/13/07/42/439130742.db2.gz XXMOKYUYLSMMDQ-OAHLLOKOSA-N 1 0 339.396 0.442 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)CN1CCOCC1 ZINC000521923106 439134571 /nfs/dbraw/zinc/13/45/71/439134571.db2.gz KBPUMGCBNQPLDH-AWEZNQCLSA-N 1 0 325.365 0.386 20 5 ECBDRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000597627000 439143672 /nfs/dbraw/zinc/14/36/72/439143672.db2.gz WGVXECKDCMKRAM-NSHDSACASA-N 1 0 348.359 0.443 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000592389828 439220005 /nfs/dbraw/zinc/22/00/05/439220005.db2.gz YRZDUADPFDFIIG-IUCAKERBSA-N 1 0 333.341 0.582 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CNC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000592430261 439226683 /nfs/dbraw/zinc/22/66/83/439226683.db2.gz RNENHQVSTGHSHT-HUUCEWRRSA-N 1 0 339.392 0.381 20 5 ECBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000592245935 439190030 /nfs/dbraw/zinc/19/00/30/439190030.db2.gz KFIKCKYJWSZTLR-IUODEOHRSA-N 1 0 346.387 0.925 20 5 ECBDRO CN(CCC[NH3+])C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000592299345 439195291 /nfs/dbraw/zinc/19/52/91/439195291.db2.gz YMQWRDUDYGGLRW-UHFFFAOYSA-N 1 0 328.756 0.785 20 5 ECBDRO Cc1n[nH]c(C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1[N+](=O)[O-] ZINC000592340977 439208145 /nfs/dbraw/zinc/20/81/45/439208145.db2.gz IKJYONRJPQVOSS-RISCZKNCSA-N 1 0 337.380 0.985 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2cn3c(n2)CCCC3)c1 ZINC000581997915 439276744 /nfs/dbraw/zinc/27/67/44/439276744.db2.gz KFCOTVJRALGGGB-AWEZNQCLSA-N 1 0 334.380 0.517 20 5 ECBDRO CN(CC1C[NH+](C)C1)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000598161193 439231873 /nfs/dbraw/zinc/23/18/73/439231873.db2.gz BWPCWQWMVOJMTA-UHFFFAOYSA-N 1 0 330.348 0.809 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000592475096 439235606 /nfs/dbraw/zinc/23/56/06/439235606.db2.gz NHYNLPVDDLSEPM-YGRLFVJLSA-N 1 0 338.364 0.590 20 5 ECBDRO CN(CCN1CC[NH2+]CC1)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000592472307 439236440 /nfs/dbraw/zinc/23/64/40/439236440.db2.gz WKNUQODRWVTBPP-UHFFFAOYSA-N 1 0 335.408 0.395 20 5 ECBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000568517093 439255660 /nfs/dbraw/zinc/25/56/60/439255660.db2.gz YTAWRIQXPKTPLH-ZDUSSCGKSA-N 1 0 342.421 0.475 20 5 ECBDRO CC1(OCC(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C[NH2+]C1 ZINC000592966269 439325781 /nfs/dbraw/zinc/32/57/81/439325781.db2.gz XNZZKUFAVXUHEC-NSHDSACASA-N 1 0 335.364 0.381 20 5 ECBDRO C[NH+](C)CCN1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1=O ZINC000593051600 439334343 /nfs/dbraw/zinc/33/43/43/439334343.db2.gz LKZXOJMGYXAMRW-UHFFFAOYSA-N 1 0 336.392 0.679 20 5 ECBDRO C[NH+](C)CCN1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1=O ZINC000593053036 439335864 /nfs/dbraw/zinc/33/58/64/439335864.db2.gz VXJWKNSIHFSYIP-UHFFFAOYSA-N 1 0 347.375 0.942 20 5 ECBDRO C[NH+](C)CCOCCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598613251 439288011 /nfs/dbraw/zinc/28/80/11/439288011.db2.gz IYQVYWJDNQGJBX-UHFFFAOYSA-N 1 0 340.384 0.212 20 5 ECBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000592879498 439296394 /nfs/dbraw/zinc/29/63/94/439296394.db2.gz MFDGMSFADALXQK-SNVBAGLBSA-N 1 0 338.339 0.926 20 5 ECBDRO O=C(NCC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000598664600 439298389 /nfs/dbraw/zinc/29/83/89/439298389.db2.gz HBUFGBLSEUASEU-MRXNPFEDSA-N 1 0 347.375 0.928 20 5 ECBDRO O=C(NCC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)Nc1cccc([N+](=O)[O-])c1 ZINC000598664291 439298685 /nfs/dbraw/zinc/29/86/85/439298685.db2.gz CXGDYUIUTWONGG-SMDDNHRTSA-N 1 0 347.375 0.927 20 5 ECBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598666486 439300396 /nfs/dbraw/zinc/30/03/96/439300396.db2.gz ZGWUALJXSZONIH-GHMZBOCLSA-N 1 0 335.364 0.912 20 5 ECBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)n1 ZINC000592899905 439300596 /nfs/dbraw/zinc/30/05/96/439300596.db2.gz VOOXNWWQXUZGOU-UHFFFAOYSA-N 1 0 337.380 0.748 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CCOCC[NH3+] ZINC000599111729 439362388 /nfs/dbraw/zinc/36/23/88/439362388.db2.gz QOSHKFISZLNKFM-UHFFFAOYSA-N 1 0 333.366 0.199 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC(C)(C(N)=O)C1 ZINC000582664483 439363543 /nfs/dbraw/zinc/36/35/43/439363543.db2.gz DNJGCINRSZDIIN-UHFFFAOYSA-N 1 0 336.348 0.739 20 5 ECBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)N[C@H]1CC[NH2+]C1 ZINC000582498404 439343801 /nfs/dbraw/zinc/34/38/01/439343801.db2.gz OFVYTPUIRRRVJS-ZETCQYMHSA-N 1 0 344.274 0.613 20 5 ECBDRO C[NH2+]C[C@@](C)(O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000582491063 439344081 /nfs/dbraw/zinc/34/40/81/439344081.db2.gz TVASFGUQCLDVCZ-MRXNPFEDSA-N 1 0 336.392 0.323 20 5 ECBDRO COc1ccc(S(=O)(=O)NC2(C[NH3+])CCOCC2)cc1[N+](=O)[O-] ZINC000599104266 439358526 /nfs/dbraw/zinc/35/85/26/439358526.db2.gz ROCONGUVRFEQPM-UHFFFAOYSA-N 1 0 345.377 0.390 20 5 ECBDRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599252661 439402864 /nfs/dbraw/zinc/40/28/64/439402864.db2.gz WRBSFTUOVUSODX-SNVBAGLBSA-N 1 0 331.398 0.481 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H](O)C2CCOCC2)c1 ZINC000570396906 439416447 /nfs/dbraw/zinc/41/64/47/439416447.db2.gz XUBOTPBKMKYIBK-GDBMZVCRSA-N 1 0 340.376 0.712 20 5 ECBDRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)c3cccnc3[N+](=O)[O-])[C@@H]2C1 ZINC000570391950 439417185 /nfs/dbraw/zinc/41/71/85/439417185.db2.gz SXPONEZWLFFPOJ-WDEREUQCSA-N 1 0 326.378 0.705 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC(C)(C(N)=O)C1 ZINC000583202309 439431772 /nfs/dbraw/zinc/43/17/72/439431772.db2.gz UTTMGBWSRRQXMU-UHFFFAOYSA-N 1 0 336.348 0.739 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC[N@@H+]2CCCC2(C)C)n1 ZINC000599332144 439438536 /nfs/dbraw/zinc/43/85/36/439438536.db2.gz RGCXATVOISHJIW-UHFFFAOYSA-N 1 0 331.398 0.481 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594027001 439510090 /nfs/dbraw/zinc/51/00/90/439510090.db2.gz JKTWGGHNQMHENJ-LSDHHAIUSA-N 1 0 348.403 0.983 20 5 ECBDRO Cc1c(C(=O)N[C@@H](C)CCC[NH3+])cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000571643227 439517788 /nfs/dbraw/zinc/51/77/88/439517788.db2.gz ZZSMJTMQPTXSQB-QMMMGPOBSA-N 1 0 344.393 0.408 20 5 ECBDRO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594387563 439552177 /nfs/dbraw/zinc/55/21/77/439552177.db2.gz UINZRWPHTLFDEI-XUWVNRHRSA-N 1 0 331.372 0.976 20 5 ECBDRO [NH3+]C[C@@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000594452098 439562999 /nfs/dbraw/zinc/56/29/99/439562999.db2.gz YFHSEUYIKVSNIQ-SNVBAGLBSA-N 1 0 344.253 0.795 20 5 ECBDRO C[C@H](CN1CCC[C@@H](C)C1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000583807488 439514303 /nfs/dbraw/zinc/51/43/03/439514303.db2.gz NMVZZVCPKFTFTB-NFAWXSAZSA-N 1 0 325.413 0.862 20 5 ECBDRO C[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594577656 439580221 /nfs/dbraw/zinc/58/02/21/439580221.db2.gz XXYKDMZDFCBJPS-CXTNEJHOSA-N 1 0 341.412 0.240 20 5 ECBDRO Cc1cc(OCC(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000599938653 439580475 /nfs/dbraw/zinc/58/04/75/439580475.db2.gz CSDVDJZDJWUCCC-KBPBESRZSA-N 1 0 349.387 0.950 20 5 ECBDRO C[C@@H]1CC[C@@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[NH2+]1 ZINC000599940465 439581468 /nfs/dbraw/zinc/58/14/68/439581468.db2.gz QYXPNDIYFMTCSZ-CHWSQXEVSA-N 1 0 348.407 0.962 20 5 ECBDRO [NH3+][C@H]1C[C@@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc43)CCN2C1=O ZINC000594694852 439592035 /nfs/dbraw/zinc/59/20/35/439592035.db2.gz WEVKCAAZWCNOAB-PWSUYJOCSA-N 1 0 328.332 0.286 20 5 ECBDRO [NH3+][C@@H]1C[C@@H]2CN(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CCN2C1=O ZINC000594736414 439598890 /nfs/dbraw/zinc/59/88/90/439598890.db2.gz GBBXLHGQZSOBRF-VXGBXAGGSA-N 1 0 348.359 0.110 20 5 ECBDRO O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000594747619 439600252 /nfs/dbraw/zinc/60/02/52/439600252.db2.gz CWNHEXIOTSDIIM-SNVBAGLBSA-N 1 0 326.378 0.752 20 5 ECBDRO C[NH+](C)CC1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000594767947 439606247 /nfs/dbraw/zinc/60/62/47/439606247.db2.gz YAURXECOXRJWJC-UHFFFAOYSA-N 1 0 328.394 0.952 20 5 ECBDRO CCn1cc(S(=O)(=O)NC[C@@H]2CCN2C(C)(C)C)c([N+](=O)[O-])n1 ZINC000594789326 439612611 /nfs/dbraw/zinc/61/26/11/439612611.db2.gz LEQQONVFINGQIY-JTQLQIEISA-N 1 0 345.425 0.962 20 5 ECBDRO C[C@@]1(CNC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000584770062 439614011 /nfs/dbraw/zinc/61/40/11/439614011.db2.gz CXMQSWLFVCZZMH-MRXNPFEDSA-N 1 0 334.376 0.717 20 5 ECBDRO COCC[N@H+](C)CCN1C[C@H](Nc2ncccc2[N+](=O)[O-])CC1=O ZINC000594874550 439636372 /nfs/dbraw/zinc/63/63/72/439636372.db2.gz ZVFWEOGOCHGEPO-GFCCVEGCSA-N 1 0 337.380 0.581 20 5 ECBDRO CCc1ccc(C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)cc1[N+](=O)[O-] ZINC000573322479 439639894 /nfs/dbraw/zinc/63/98/94/439639894.db2.gz CELMBXZCOXDTFB-UHFFFAOYSA-N 1 0 345.363 0.937 20 5 ECBDRO COc1cc(CN[C@@H]2CS(=O)(=O)C[C@@H]2OC)c([N+](=O)[O-])cc1O ZINC000594964911 439645039 /nfs/dbraw/zinc/64/50/39/439645039.db2.gz CYNMUFNQCHQOQW-RNCFNFMXSA-N 1 0 346.361 0.211 20 5 ECBDRO CCn1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)c([N+](=O)[O-])n1 ZINC000595121107 439656353 /nfs/dbraw/zinc/65/63/53/439656353.db2.gz VPMSADHAUKCLFC-SNVBAGLBSA-N 1 0 343.409 0.764 20 5 ECBDRO CCN(CC[NH3+])C(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000600796497 439702054 /nfs/dbraw/zinc/70/20/54/439702054.db2.gz IKAUUWBITGRQHP-UHFFFAOYSA-N 1 0 334.376 0.893 20 5 ECBDRO C[C@H](CN1CCCC1=O)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000574552258 439711648 /nfs/dbraw/zinc/71/16/48/439711648.db2.gz YSZBRMZAIYQCGG-CHWSQXEVSA-N 1 0 337.376 0.935 20 5 ECBDRO C[C@H](NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000595264395 439684477 /nfs/dbraw/zinc/68/44/77/439684477.db2.gz XGAQMDCBMAJOBE-LEWSCRJBSA-N 1 0 347.375 0.609 20 5 ECBDRO COc1ccc(S(=O)(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1[N+](=O)[O-] ZINC000600669914 439687332 /nfs/dbraw/zinc/68/73/32/439687332.db2.gz WCNFLOIZNUCXNT-YABSGUDNSA-N 1 0 341.389 0.784 20 5 ECBDRO C[NH2+]C[C@H](C)NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000595282366 439689422 /nfs/dbraw/zinc/68/94/22/439689422.db2.gz WRCCRJFBXCESIN-NSHDSACASA-N 1 0 334.376 0.810 20 5 ECBDRO Cn1cc(C[NH2+]CCc2nnnn2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611314530 439690659 /nfs/dbraw/zinc/69/06/59/439690659.db2.gz AGSXTJFPHODIGS-UHFFFAOYSA-N 1 0 342.363 0.851 20 5 ECBDRO CC(C)[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)N1CCCC1 ZINC000611395356 439695129 /nfs/dbraw/zinc/69/51/29/439695129.db2.gz HOTZQJPFMPBOIT-KBPBESRZSA-N 1 0 339.396 0.389 20 5 ECBDRO C[C@]1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)COc2ccccc2O1 ZINC000600743460 439697802 /nfs/dbraw/zinc/69/78/02/439697802.db2.gz CFJBGKQLTKLNSJ-CJNGLKHVSA-N 1 0 348.359 0.972 20 5 ECBDRO COCCNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000339962430 321006360 /nfs/dbraw/zinc/00/63/60/321006360.db2.gz CWMQELRYEMZULG-UHFFFAOYSA-N 1 0 346.409 0.493 20 5 ECBDRO CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N[C@H](C)C[NH3+] ZINC000347643536 321247148 /nfs/dbraw/zinc/24/71/48/321247148.db2.gz AQSIEDQTXNTOBA-BDAKNGLRSA-N 1 0 344.393 0.503 20 5 ECBDRO COc1ccc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000348632027 321283699 /nfs/dbraw/zinc/28/36/99/321283699.db2.gz CEZMRJWSELWIOY-UHFFFAOYSA-N 1 0 348.359 0.849 20 5 ECBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H]1COC[C@@H]1O ZINC000352799837 321372899 /nfs/dbraw/zinc/37/28/99/321372899.db2.gz MYPRFESLRQIYEH-OLZOCXBDSA-N 1 0 337.332 0.584 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000563125855 322299365 /nfs/dbraw/zinc/29/93/65/322299365.db2.gz PCNGPRJNXHPFHQ-DTWKUNHWSA-N 1 0 345.377 0.786 20 5 ECBDRO O=C1Nc2ccccc2[C@@H]1CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000566108110 322502105 /nfs/dbraw/zinc/50/21/05/322502105.db2.gz CODXESGSDIHURV-OCCSQVGLSA-N 1 0 345.359 0.868 20 5 ECBDRO Cc1nn(CCC(=O)NC[C@H]2C[NH2+]CCCO2)c(C)c1[N+](=O)[O-] ZINC000568999618 322640493 /nfs/dbraw/zinc/64/04/93/322640493.db2.gz OHYACMQXVWQMMV-GFCCVEGCSA-N 1 0 325.369 0.293 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H](CO)[C@H]2CCCOC2)c1 ZINC000570279865 322682463 /nfs/dbraw/zinc/68/24/63/322682463.db2.gz PDWJBMODOUDAQT-BJJXKVORSA-N 1 0 340.376 0.712 20 5 ECBDRO CNc1ccc(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1[N+](=O)[O-] ZINC000571163216 322712309 /nfs/dbraw/zinc/71/23/09/322712309.db2.gz YBCSKTAWHNBIIH-GFCCVEGCSA-N 1 0 349.391 0.564 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CCc3nnnn3CC2)c1 ZINC000573084152 322756105 /nfs/dbraw/zinc/75/61/05/322756105.db2.gz MZISWWUUSJUHCO-AAEUAGOBSA-N 1 0 348.363 0.316 20 5 ECBDRO O=C(CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCCCCC1 ZINC000576391758 322806440 /nfs/dbraw/zinc/80/64/40/322806440.db2.gz XUGBFNHNBQVSNE-AWEZNQCLSA-N 1 0 339.396 0.535 20 5 ECBDRO Cc1cnc(N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c([N+](=O)[O-])c1 ZINC000576615590 322811275 /nfs/dbraw/zinc/81/12/75/322811275.db2.gz PQQOHBMXVHXQOR-ZDUSSCGKSA-N 1 0 333.392 0.946 20 5 ECBDRO COc1cc(CN2C(=O)N[C@@]3(CCC[NH2+]C3)C2=O)ccc1[N+](=O)[O-] ZINC000576751358 322815073 /nfs/dbraw/zinc/81/50/73/322815073.db2.gz HWTCNDYBJUGXMO-OAHLLOKOSA-N 1 0 334.332 0.777 20 5 ECBDRO CC(=O)Nc1ccccc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000577366194 322832961 /nfs/dbraw/zinc/83/29/61/322832961.db2.gz NQYRPFPEEJJDOW-AWEZNQCLSA-N 1 0 333.348 0.900 20 5 ECBDRO COc1ccc(NC(=O)CN2C[C@H](O)[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000577931267 322850300 /nfs/dbraw/zinc/85/03/00/322850300.db2.gz ZVBAKQMKMAGMGY-KBPBESRZSA-N 1 0 338.364 0.149 20 5 ECBDRO NC(=O)c1cc([N+](=O)[O-])cn(Cc2ccc3c(c2)C[NH2+]CC3)c1=O ZINC000579597970 322901884 /nfs/dbraw/zinc/90/18/84/322901884.db2.gz LODRRYNWOPSPSU-UHFFFAOYSA-N 1 0 328.328 0.549 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000619253657 546311291 /nfs/dbraw/zinc/31/12/91/546311291.db2.gz BNPOUOXHKRISQU-HNNXBMFYSA-N 1 0 339.396 0.405 20 5 ECBDRO C[NH+](C)C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CCO1 ZINC000736759212 578449968 /nfs/dbraw/zinc/44/99/68/578449968.db2.gz QACPAUFGKDCJRV-NSHDSACASA-N 1 0 333.352 0.542 20 5 ECBDRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000783296296 578740942 /nfs/dbraw/zinc/74/09/42/578740942.db2.gz MNTFVRTWHGZZNM-SECBINFHSA-N 1 0 344.755 0.225 20 5 ECBDRO C[NH+](C)CCCOC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000792277544 578904709 /nfs/dbraw/zinc/90/47/09/578904709.db2.gz BAHIIVNYXGVJSP-UHFFFAOYSA-N 1 0 345.377 0.368 20 5 ECBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000762817126 579549013 /nfs/dbraw/zinc/54/90/13/579549013.db2.gz CXCWZBCZECQZRN-AWEZNQCLSA-N 1 0 338.320 0.608 20 5 ECBDRO Cc1c(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000834317265 588895509 /nfs/dbraw/zinc/89/55/09/588895509.db2.gz SKQMEPFAWGQRIL-ZANVPECISA-N 1 0 338.320 1.000 20 5 ECBDRO C[C@H]1CN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[NH2+]1 ZINC000842473682 589031636 /nfs/dbraw/zinc/03/16/36/589031636.db2.gz WITQYQPOSQLPMK-AWEZNQCLSA-N 1 0 347.419 0.537 20 5 ECBDRO COc1cc(S(=O)(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000842744926 589034807 /nfs/dbraw/zinc/03/48/07/589034807.db2.gz XUGVDAVOHMFIEC-ZANVPECISA-N 1 0 345.377 0.340 20 5 ECBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)c1 ZINC000896566923 586256849 /nfs/dbraw/zinc/25/68/49/586256849.db2.gz FGBYQBYOSFPDJO-IAQYHMDHSA-N 1 0 336.392 0.968 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2COc3ccccc3[C@H]2O)c1 ZINC000843114698 589051393 /nfs/dbraw/zinc/05/13/93/589051393.db2.gz FRNAUPHNBFLZMV-OSAQELSMSA-N 1 0 334.332 0.236 20 5 ECBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C12CCC2 ZINC000898834780 586454124 /nfs/dbraw/zinc/45/41/24/586454124.db2.gz IPRGBXIRYRPVDG-KGLIPLIRSA-N 1 0 334.376 0.746 20 5 ECBDRO [NH3+]C[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000843368296 589064036 /nfs/dbraw/zinc/06/40/36/589064036.db2.gz QJDPJOKGOBJZLU-JTQLQIEISA-N 1 0 328.756 0.846 20 5 ECBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000843483331 589071061 /nfs/dbraw/zinc/07/10/61/589071061.db2.gz CGXMXVFYNZGZLB-LLVKDONJSA-N 1 0 338.320 0.920 20 5 ECBDRO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@@H](C)C[NH+](C)C ZINC000805428250 586908660 /nfs/dbraw/zinc/90/86/60/586908660.db2.gz HZHWSIWEIBGCGS-JTQLQIEISA-N 1 0 339.348 0.861 20 5 ECBDRO CS(=O)(=O)N1CCC[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818976632 587462946 /nfs/dbraw/zinc/46/29/46/587462946.db2.gz LHQVNRBUIWQAOO-GXTWGEPZSA-N 1 0 343.405 0.642 20 5 ECBDRO CCN(CC)C(=O)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000818974618 587463057 /nfs/dbraw/zinc/46/30/57/587463057.db2.gz CMYFGKYSUXDJAH-CYBMUJFWSA-N 1 0 325.365 0.793 20 5 ECBDRO CCS(=O)(=O)CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000819010487 587464541 /nfs/dbraw/zinc/46/45/41/587464541.db2.gz FHVITSVFGUUUKX-UHFFFAOYSA-N 1 0 329.378 0.948 20 5 ECBDRO CC(C)(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)NS(C)(=O)=O ZINC000819045936 587465684 /nfs/dbraw/zinc/46/56/84/587465684.db2.gz LCHYRGFFXZSXGI-GFCCVEGCSA-N 1 0 331.394 0.546 20 5 ECBDRO Cn1cc(N2CC[C@H]([NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2=O)cn1 ZINC000819080128 587467162 /nfs/dbraw/zinc/46/71/62/587467162.db2.gz CWWGSVLKFYZCTP-LSDHHAIUSA-N 1 0 345.359 0.757 20 5 ECBDRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)O1 ZINC000819208883 587472127 /nfs/dbraw/zinc/47/21/27/587472127.db2.gz STDYKXLDBFULDE-KKUMJFAQSA-N 1 0 337.376 0.854 20 5 ECBDRO C[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)NC(=O)OC(C)(C)C ZINC000819274198 587475159 /nfs/dbraw/zinc/47/51/59/587475159.db2.gz JGOFAAKMEXGCLM-CMPLNLGQSA-N 1 0 343.384 0.655 20 5 ECBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@]1(O)CCc2ccccc21 ZINC000829338711 588322478 /nfs/dbraw/zinc/32/24/78/588322478.db2.gz YRXQUMVJFHOIRO-DOTOQJQBSA-N 1 0 346.387 0.918 20 5 ECBDRO CC(C)(CCC(=O)NCC(=O)NCC[NH+]1CCCCCC1)[N+](=O)[O-] ZINC000832830438 588507540 /nfs/dbraw/zinc/50/75/40/588507540.db2.gz IOPSHOIUMRXJJP-UHFFFAOYSA-N 1 0 342.440 0.930 20 5 ECBDRO C[NH+]1CCN(C[C@H](O)COc2ccc([N+](=O)[O-])c(F)c2F)CC1 ZINC000844949446 589126481 /nfs/dbraw/zinc/12/64/81/589126481.db2.gz PYHAMYVAQXGISU-JTQLQIEISA-N 1 0 331.319 0.860 20 5 ECBDRO CCOC(=O)Cc1ccc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000848765911 589309841 /nfs/dbraw/zinc/30/98/41/589309841.db2.gz IJJXLPHMGAGORN-UONOGXRCSA-N 1 0 349.387 0.956 20 5 ECBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1[NH2+]CC12CCOCC2 ZINC000852776917 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334.376 0.751 20 5 ECBDRO NC(=O)CC(=O)N1CC2(C1)CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000981678741 750962941 /nfs/dbraw/zinc/96/29/41/750962941.db2.gz DDFWREGSAXGNNW-UHFFFAOYSA-N 1 0 346.387 0.895 20 5 ECBDRO O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Nc1ccc(F)c(F)c1 ZINC001126936297 756744659 /nfs/dbraw/zinc/74/46/59/756744659.db2.gz FSBPMLUIJGEIPM-BXKDBHETSA-N 1 0 342.302 0.274 20 5 ECBDRO O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NC1CCCCCCC1 ZINC001126939251 756806989 /nfs/dbraw/zinc/80/69/89/756806989.db2.gz UIYDBYNQNWURLS-ZIAGYGMSSA-N 1 0 340.424 0.587 20 5 ECBDRO COc1ncccc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000996428869 757655157 /nfs/dbraw/zinc/65/51/57/757655157.db2.gz JVIZKDJIRNBGLL-ZIAGYGMSSA-N 1 0 334.376 0.836 20 5 ECBDRO CC(=O)N1CC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC001022008121 758156489 /nfs/dbraw/zinc/15/64/89/758156489.db2.gz KXVQSZBLLSMBSC-GASCZTMLSA-N 1 0 346.387 0.810 20 5 ECBDRO 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338.408 0.799 20 5 ECBDRO Cc1c(C(=O)N(C)[C@@H]2CC[NH2+]C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000179098836 232744807 /nfs/dbraw/zinc/74/48/07/232744807.db2.gz HHIUDMWTYCTMRP-CYBMUJFWSA-N 1 0 330.348 0.918 20 5 ECBDRO CN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262731136 282597666 /nfs/dbraw/zinc/59/76/66/282597666.db2.gz DKWKGGKCBPQLAE-VIFPVBQESA-N 1 0 343.361 0.348 20 5 ECBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000423915931 209849643 /nfs/dbraw/zinc/84/96/43/209849643.db2.gz YOEAFQSTUHZBJB-MRXNPFEDSA-N 1 0 329.360 0.839 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)NC[C@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000183594037 235154857 /nfs/dbraw/zinc/15/48/57/235154857.db2.gz DHEGARFDEHMNBU-CYBMUJFWSA-N 1 0 334.376 0.843 20 5 ECBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000355599826 299279846 /nfs/dbraw/zinc/27/98/46/299279846.db2.gz DODGRKRMHFRCHN-LLVKDONJSA-N 1 0 337.332 0.454 20 5 ECBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420454009 209370458 /nfs/dbraw/zinc/37/04/58/209370458.db2.gz KXBMKGFENGNLDO-VIFPVBQESA-N 1 0 349.796 0.905 20 5 ECBDRO [NH3+]C[C@H]1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000420419030 209363345 /nfs/dbraw/zinc/36/33/45/209363345.db2.gz IUELOWMZCJMGPC-LBPRGKRZSA-N 1 0 329.378 0.127 20 5 ECBDRO C[NH2+]C[C@H](C)CNc1ccc(C(=O)NCC(=O)OC)cc1[N+](=O)[O-] ZINC000420215446 209343472 /nfs/dbraw/zinc/34/34/72/209343472.db2.gz WFFDOEIRJVWCKR-JTQLQIEISA-N 1 0 338.364 0.765 20 5 ECBDRO C[C@H]1C[C@H](NC(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]1 ZINC000420132338 209317234 /nfs/dbraw/zinc/31/72/34/209317234.db2.gz SNRGYYZXXANUBQ-SMDDNHRTSA-N 1 0 346.387 0.736 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000073132072 216353248 /nfs/dbraw/zinc/35/32/48/216353248.db2.gz ZNTNKGRJRGJIBV-UHFFFAOYSA-N 1 0 339.396 0.717 20 5 ECBDRO CCC[NH2+]CCNC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000419910505 209247106 /nfs/dbraw/zinc/24/71/06/209247106.db2.gz PLTMJYLRCOKQAB-UHFFFAOYSA-N 1 0 334.376 0.595 20 5 ECBDRO COc1c(F)cc(S(=O)(=O)NCC2=CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000193388389 240141116 /nfs/dbraw/zinc/14/11/16/240141116.db2.gz QICOUFFJPRAPIP-UHFFFAOYSA-N 1 0 345.352 0.941 20 5 ECBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195223907 240879197 /nfs/dbraw/zinc/87/91/97/240879197.db2.gz KRHHHGHTUJABFV-AOOOYVTPSA-N 1 0 328.328 0.728 20 5 ECBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000237583726 242702565 /nfs/dbraw/zinc/70/25/65/242702565.db2.gz DDLGOWOUTAYUHT-LLVKDONJSA-N 1 0 335.364 0.225 20 5 ECBDRO Cc1c(C(=O)N[C@H]2CCC[NH2+]C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000237846738 242820032 /nfs/dbraw/zinc/82/00/32/242820032.db2.gz DWVHPNOVGBDHMD-NSHDSACASA-N 1 0 330.348 0.966 20 5 ECBDRO C[C@H]([NH3+])CCC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262751934 245159102 /nfs/dbraw/zinc/15/91/02/245159102.db2.gz GVBHUOZDYBBLAS-JTQLQIEISA-N 1 0 344.393 0.117 20 5 ECBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000356748888 299437228 /nfs/dbraw/zinc/43/72/28/299437228.db2.gz VSXJWKJYDLGLJH-NTZNESFSSA-N 1 0 337.380 0.652 20 5 ECBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000266179886 248152408 /nfs/dbraw/zinc/15/24/08/248152408.db2.gz YKQNQWUBVZWDGE-AWEZNQCLSA-N 1 0 334.376 0.593 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000449713555 211295666 /nfs/dbraw/zinc/29/56/66/211295666.db2.gz YICFBCLWTSNSIT-LOWVWBTDSA-N 1 0 334.376 0.957 20 5 ECBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000449693856 211291846 /nfs/dbraw/zinc/29/18/46/211291846.db2.gz FPOIMMFUAXABJD-GFCCVEGCSA-N 1 0 326.784 0.811 20 5 ECBDRO Cc1nn(CCC(=O)N[C@H]2C[NH2+]CCC2(F)F)c(C)c1[N+](=O)[O-] ZINC000449659484 211289011 /nfs/dbraw/zinc/28/90/11/211289011.db2.gz DCEORWGUODUBAH-JTQLQIEISA-N 1 0 331.323 0.912 20 5 ECBDRO C[C@@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000449591478 211286159 /nfs/dbraw/zinc/28/61/59/211286159.db2.gz QPNCMTGTGCSHSY-VHSXEESVSA-N 1 0 344.393 0.067 20 5 ECBDRO COCCO[C@@H]1C[C@H](CO)C[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000447379713 211185949 /nfs/dbraw/zinc/18/59/49/211185949.db2.gz CAOXELJIGNFHKR-QWHCGFSZSA-N 1 0 328.369 0.137 20 5 ECBDRO CCn1cc(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])n1 ZINC000447246585 211176882 /nfs/dbraw/zinc/17/68/82/211176882.db2.gz POBSZOKMZPNTDI-AXFHLTTASA-N 1 0 343.409 0.559 20 5 ECBDRO COc1cc(S(=O)(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000447243263 211176948 /nfs/dbraw/zinc/17/69/48/211176948.db2.gz IMXBWGPDGBRAHK-VHSXEESVSA-N 1 0 329.378 0.961 20 5 ECBDRO CN1CC[NH2+]C[C@@H]1CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000420262099 209346737 /nfs/dbraw/zinc/34/67/37/209346737.db2.gz ABWSQORMNVOQIP-LLVKDONJSA-N 1 0 328.394 0.314 20 5 ECBDRO CCc1n[nH]c(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000268561987 252023586 /nfs/dbraw/zinc/02/35/86/252023586.db2.gz KIGPQSHXEKJOLQ-UHFFFAOYSA-N 1 0 339.396 0.845 20 5 ECBDRO CC(=O)N1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000268687904 252139606 /nfs/dbraw/zinc/13/96/06/252139606.db2.gz OCUAAUJQMJOBBZ-SWLSCSKDSA-N 1 0 337.376 0.887 20 5 ECBDRO COCC[NH2+]CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420441843 209367280 /nfs/dbraw/zinc/36/72/80/209367280.db2.gz WHPOXWHGNAMEFY-UHFFFAOYSA-N 1 0 331.394 0.293 20 5 ECBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CC(=O)N1CC[NH2+]CC1 ZINC000430637378 210392277 /nfs/dbraw/zinc/39/22/77/210392277.db2.gz AXQAOSSUAMLIFH-GFCCVEGCSA-N 1 0 349.391 0.285 20 5 ECBDRO C[C@@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH2+]1 ZINC000429404013 210315655 /nfs/dbraw/zinc/31/56/55/210315655.db2.gz GSOJIAOZUAJQJS-TXEJJXNPSA-N 1 0 334.376 0.924 20 5 ECBDRO [NH3+][C@H]1CCc2ncc(NC(=O)NCCn3cc([N+](=O)[O-])cn3)cc2C1 ZINC000415964474 208597710 /nfs/dbraw/zinc/59/77/10/208597710.db2.gz SRTPNGRNJWINBU-NSHDSACASA-N 1 0 345.363 0.824 20 5 ECBDRO [NH3+]C[C@H]1CCCCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000428967021 210291414 /nfs/dbraw/zinc/29/14/14/210291414.db2.gz LDFLHRJLGUPWCG-CQSZACIVSA-N 1 0 349.391 0.734 20 5 ECBDRO [NH3+]CCN(CCO)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417981905 208767540 /nfs/dbraw/zinc/76/75/40/208767540.db2.gz DDMAKXQDELUZOG-UHFFFAOYSA-N 1 0 330.772 0.753 20 5 ECBDRO CN(C)C(=O)OC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000495728964 255036902 /nfs/dbraw/zinc/03/69/02/255036902.db2.gz LJNPUJUWMFBEIA-UHFFFAOYSA-N 1 0 338.364 0.919 20 5 ECBDRO O=C1OCCN1CCC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000496127566 255073574 /nfs/dbraw/zinc/07/35/74/255073574.db2.gz IHRGTVUKOHGHQO-LBPRGKRZSA-N 1 0 339.348 0.766 20 5 ECBDRO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000419163680 209007643 /nfs/dbraw/zinc/00/76/43/209007643.db2.gz KIEYIONLJSWMBJ-MRVPVSSYSA-N 1 0 328.756 0.670 20 5 ECBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000419256853 209042233 /nfs/dbraw/zinc/04/22/33/209042233.db2.gz CQMQTAWQQQGQIV-FPMFFAJLSA-N 1 0 346.387 0.758 20 5 ECBDRO CO[C@H]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000262331320 286061139 /nfs/dbraw/zinc/06/11/39/286061139.db2.gz SNDOGFWTUBUPNS-MNOVXSKESA-N 1 0 329.378 0.722 20 5 ECBDRO COc1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000193400479 286351783 /nfs/dbraw/zinc/35/17/83/286351783.db2.gz XYBAWASVFMMZNV-GXSJLCMTSA-N 1 0 329.378 0.880 20 5 ECBDRO CC(C)[NH+]1CCC(O)(CNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000268478248 296747092 /nfs/dbraw/zinc/74/70/92/296747092.db2.gz ODFOWTCGUQPINR-UHFFFAOYSA-N 1 0 325.369 0.143 20 5 ECBDRO C[NH+](C)CCOCCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000336861497 297167421 /nfs/dbraw/zinc/16/74/21/297167421.db2.gz BKKCEINYVJTMQI-UHFFFAOYSA-N 1 0 331.394 0.988 20 5 ECBDRO CNC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248461957 165178881 /nfs/dbraw/zinc/17/88/81/165178881.db2.gz PLYWAYMVIWOINA-CHWSQXEVSA-N 1 0 337.376 0.793 20 5 ECBDRO C[C@@]1(C[NH3+])CCN(C(=O)CN2c3cc([N+](=O)[O-])ccc3OCC2=O)C1 ZINC000261740400 165236518 /nfs/dbraw/zinc/23/65/18/165236518.db2.gz DHXWZPRUBUFFSV-INIZCTEOSA-N 1 0 348.359 0.518 20 5 ECBDRO [NH3+][C@@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C1CC1 ZINC000261922393 165263933 /nfs/dbraw/zinc/26/39/33/165263933.db2.gz JBZZMAQCUYYWQH-WDEREUQCSA-N 1 0 336.348 0.646 20 5 ECBDRO C[C@@]1(C[NH3+])CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000262181288 165305078 /nfs/dbraw/zinc/30/50/78/165305078.db2.gz ZCSWFOGOKIFSPE-INIZCTEOSA-N 1 0 349.391 0.591 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000262338244 165333503 /nfs/dbraw/zinc/33/35/03/165333503.db2.gz TZOQRTSKYAUXBW-ONGXEEELSA-N 1 0 329.378 0.961 20 5 ECBDRO COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[NH2+]C2)cc1OC ZINC000262518560 165359832 /nfs/dbraw/zinc/35/98/32/165359832.db2.gz VKPZHFHNHPVEFH-JTQLQIEISA-N 1 0 339.348 0.720 20 5 ECBDRO C[C@@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000262602794 165367874 /nfs/dbraw/zinc/36/78/74/165367874.db2.gz QJDOFGOZVJFGGT-SNVBAGLBSA-N 1 0 334.332 0.141 20 5 ECBDRO COc1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC000262786172 165386270 /nfs/dbraw/zinc/38/62/70/165386270.db2.gz QIJDWMDINOVYBE-MWLCHTKSSA-N 1 0 329.378 0.880 20 5 ECBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000269435651 263183009 /nfs/dbraw/zinc/18/30/09/263183009.db2.gz OKOLCIKZVKVXNM-JTQLQIEISA-N 1 0 325.369 0.892 20 5 ECBDRO O=C1NC(=O)C2(CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)N1 ZINC000270500674 263246467 /nfs/dbraw/zinc/24/64/67/263246467.db2.gz HWHRMKOSXZONSA-UHFFFAOYSA-N 1 0 334.332 0.648 20 5 ECBDRO CS[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1[NH+]1CCCC1 ZINC000275094687 263549668 /nfs/dbraw/zinc/54/96/68/263549668.db2.gz IVJANPKVKVJNQD-CHWSQXEVSA-N 1 0 339.421 0.830 20 5 ECBDRO CN1CCC([NH+]2CCC(NC(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)CC1 ZINC000286112720 264371329 /nfs/dbraw/zinc/37/13/29/264371329.db2.gz VJTJVJZRYQNADI-UHFFFAOYSA-N 1 0 336.396 0.606 20 5 ECBDRO C[NH+](C)CCCOC1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000287716893 264472190 /nfs/dbraw/zinc/47/21/90/264472190.db2.gz XWUGDKIPDOZGHF-UHFFFAOYSA-N 1 0 325.369 0.891 20 5 ECBDRO CN(C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000295211794 265052445 /nfs/dbraw/zinc/05/24/45/265052445.db2.gz LSXMURUSTWRBMX-UHFFFAOYSA-N 1 0 338.389 0.734 20 5 ECBDRO O=C(NCC[NH+]1CCC(O)CC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000296850268 265120621 /nfs/dbraw/zinc/12/06/21/265120621.db2.gz HMUAOGJKYIZPBE-UHFFFAOYSA-N 1 0 333.348 0.658 20 5 ECBDRO CC(C)[C@@](C)([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(N)=O ZINC000297596562 265163275 /nfs/dbraw/zinc/16/32/75/265163275.db2.gz JQVPKQVFOUZLCQ-MRXNPFEDSA-N 1 0 334.376 0.974 20 5 ECBDRO O=C1CCc2cc([N+](=O)[O-])c(N3CCC[N@@H+](CCO)CC3)cc2N1 ZINC000104658563 275018492 /nfs/dbraw/zinc/01/84/92/275018492.db2.gz ITOCZEMXNRKYQT-UHFFFAOYSA-N 1 0 334.376 0.984 20 5 ECBDRO Cc1n[nH]c(C(=O)N2CCC(OCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000330728774 437599501 /nfs/dbraw/zinc/59/95/01/437599501.db2.gz HDOJMECPBFVKOC-UHFFFAOYSA-N 1 0 325.369 0.809 20 5 ECBDRO O=c1cc2c(n[nH]1)CC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000360433451 437602165 /nfs/dbraw/zinc/60/21/65/437602165.db2.gz KMCDADRDCCFGBG-LBPRGKRZSA-N 1 0 346.343 0.888 20 5 ECBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)CC(=O)N1CC[NH2+]CC1 ZINC000430631092 281260527 /nfs/dbraw/zinc/26/05/27/281260527.db2.gz TUJQQAJEAYNLGM-UHFFFAOYSA-N 1 0 349.391 0.205 20 5 ECBDRO CN(C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000179095559 288810855 /nfs/dbraw/zinc/81/08/55/288810855.db2.gz WGHLSYJBHMZVMG-SECBINFHSA-N 1 0 340.767 0.798 20 5 ECBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000332534794 297050034 /nfs/dbraw/zinc/05/00/34/297050034.db2.gz INKURHNJFJGIJL-STQMWFEESA-N 1 0 348.407 0.819 20 5 ECBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@H]1[NH+](C)C ZINC000330817374 437622482 /nfs/dbraw/zinc/62/24/82/437622482.db2.gz CENDEBDJCKUSDN-GHMZBOCLSA-N 1 0 325.394 0.690 20 5 ECBDRO [NH3+]C[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCO1 ZINC000420469156 295276513 /nfs/dbraw/zinc/27/65/13/295276513.db2.gz IGDJEHKKPGGPBL-VIFPVBQESA-N 1 0 349.796 0.987 20 5 ECBDRO Cc1n[nH]c(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000339530013 297356581 /nfs/dbraw/zinc/35/65/81/297356581.db2.gz XGFJGLUCFCWJCP-UHFFFAOYSA-N 1 0 334.336 0.602 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])n1 ZINC000353311281 299036373 /nfs/dbraw/zinc/03/63/73/299036373.db2.gz ZLZAIJCCVQLSKT-VHSXEESVSA-N 1 0 331.398 0.559 20 5 ECBDRO C[C@@H]1OCC[C@H]1[N@H+](CCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000361588427 300109002 /nfs/dbraw/zinc/10/90/02/300109002.db2.gz RSBFUKOIYUVQJX-DUVNUKRYSA-N 1 0 340.376 0.806 20 5 ECBDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000363639009 300282545 /nfs/dbraw/zinc/28/25/45/300282545.db2.gz VBFVGSARVDRAHC-CYBMUJFWSA-N 1 0 336.396 0.030 20 5 ECBDRO NC(=O)[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C(F)(F)F ZINC000375514714 301183195 /nfs/dbraw/zinc/18/31/95/301183195.db2.gz ZKKFOSVUOJCNQB-NXEZZACHSA-N 1 0 348.281 0.352 20 5 ECBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H]2C[NH2+]CCCO2)c1C ZINC000390241106 301452534 /nfs/dbraw/zinc/45/25/34/301452534.db2.gz RKGNVRGSHISPJN-CYBMUJFWSA-N 1 0 343.405 0.868 20 5 ECBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000048321531 436449111 /nfs/dbraw/zinc/44/91/11/436449111.db2.gz JPZGLWUYSQIFEC-UHFFFAOYSA-N 1 0 344.375 0.751 20 5 ECBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000106817267 436602164 /nfs/dbraw/zinc/60/21/64/436602164.db2.gz GBQQBAKZMQZKDR-LBPRGKRZSA-N 1 0 336.392 0.969 20 5 ECBDRO C[N@@H+]1CCC[C@@H](CNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 ZINC000536986198 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GSDYNWVRGFXPRE-RISCZKNCSA-N 1 0 325.369 0.440 20 5 ECBDRO C[N@@H+]1CC[C@@H](C(=O)NCCNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000577378908 438837018 /nfs/dbraw/zinc/83/70/18/438837018.db2.gz FGQFUZBYTUAGLL-LLVKDONJSA-N 1 0 344.375 1.018 20 5 ECBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000588866233 438845590 /nfs/dbraw/zinc/84/55/90/438845590.db2.gz IPBOYPBLRVUQPB-NSHDSACASA-N 1 0 333.348 0.433 20 5 ECBDRO CCCc1n[nH]c(C(=O)N[C@H](CO)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000588870251 438846489 /nfs/dbraw/zinc/84/64/89/438846489.db2.gz WIOYGNFVVVNMHA-JTQLQIEISA-N 1 0 325.369 0.457 20 5 ECBDRO [NH3+]CC12CC(C1)CN2C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000595965548 438905109 /nfs/dbraw/zinc/90/51/09/438905109.db2.gz FXPCMPNWTBWDNL-NOEPWBJOSA-N 1 0 348.359 0.742 20 5 ECBDRO [NH3+]C[C@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000515620841 438876269 /nfs/dbraw/zinc/87/62/69/438876269.db2.gz LYOVPBPIMYMJQA-ZDUSSCGKSA-N 1 0 334.380 0.559 20 5 ECBDRO 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/nfs/dbraw/zinc/95/56/02/438955602.db2.gz NQSCTAHCQYPNKK-IUODEOHRSA-N 1 0 346.387 0.877 20 5 ECBDRO C[C@@H]1NC(=O)N(CC[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000459380584 438963869 /nfs/dbraw/zinc/96/38/69/438963869.db2.gz QKLWICGCVRZIRV-WDEREUQCSA-N 1 0 348.363 0.416 20 5 ECBDRO CN(C)S(=O)(=O)c1ccc(N(C)CC2C[NH+](C)C2)c([N+](=O)[O-])c1 ZINC000596452077 438963943 /nfs/dbraw/zinc/96/39/43/438963943.db2.gz BGQYEMHFBZJZKB-UHFFFAOYSA-N 1 0 342.421 0.843 20 5 ECBDRO NC(=O)Cn1cc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000459430039 438965653 /nfs/dbraw/zinc/96/56/53/438965653.db2.gz QXGKRAHNLIBFLC-UHFFFAOYSA-N 1 0 332.364 0.784 20 5 ECBDRO COCC[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000517403912 438966044 /nfs/dbraw/zinc/96/60/44/438966044.db2.gz JJEUDYULPOCPNW-CYBMUJFWSA-N 1 0 337.376 0.983 20 5 ECBDRO NC(=O)c1cccc([N+](=O)[O-])c1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000596537168 438974357 /nfs/dbraw/zinc/97/43/57/438974357.db2.gz BNHPJGPBTJSMPX-LBPRGKRZSA-N 1 0 334.376 0.729 20 5 ECBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000517935962 438982368 /nfs/dbraw/zinc/98/23/68/438982368.db2.gz KGHRSAXCYWNTJN-QWRGUYRKSA-N 1 0 338.364 0.332 20 5 ECBDRO C[C@H](NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000579142463 438985564 /nfs/dbraw/zinc/98/55/64/438985564.db2.gz PDUJZGFGRXEDBT-LOWVWBTDSA-N 1 0 347.375 0.609 20 5 ECBDRO O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000601980102 438996031 /nfs/dbraw/zinc/99/60/31/438996031.db2.gz DZNDSPPJNWUHMZ-TXEJJXNPSA-N 1 0 334.380 0.552 20 5 ECBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000591298554 438999294 /nfs/dbraw/zinc/99/92/94/438999294.db2.gz BPHRBJSYRLUALL-UHFFFAOYSA-N 1 0 335.364 0.765 20 5 ECBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000596817898 439004368 /nfs/dbraw/zinc/00/43/68/439004368.db2.gz UZSICVVEYXPLNY-GFCCVEGCSA-N 1 0 335.364 0.475 20 5 ECBDRO 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439061206 /nfs/dbraw/zinc/06/12/06/439061206.db2.gz WIXKNRGVTPQEEI-IUCAKERBSA-N 1 0 325.296 0.796 20 5 ECBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000591425695 439013482 /nfs/dbraw/zinc/01/34/82/439013482.db2.gz ITJQDEAFUFPLHX-CYBMUJFWSA-N 1 0 333.392 0.946 20 5 ECBDRO O=C(NC[C@H]1COCC[NH2+]1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000602549916 439109796 /nfs/dbraw/zinc/10/97/96/439109796.db2.gz FPTQRTXBIGHMAD-AWEZNQCLSA-N 1 0 348.403 0.916 20 5 ECBDRO CC(C)(C(=O)NC[C@]1(O)C[NH+]2CCC1CC2)n1cc([N+](=O)[O-])cn1 ZINC000519832106 439066646 /nfs/dbraw/zinc/06/66/46/439066646.db2.gz FWBSVOTWYPWFOC-HNNXBMFYSA-N 1 0 337.380 0.099 20 5 ECBDRO Cc1cccn2cc(CC[NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)nc12 ZINC000591748341 439080368 /nfs/dbraw/zinc/08/03/68/439080368.db2.gz SHUZWFRNGAFQFP-OAHLLOKOSA-N 1 0 344.375 0.941 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000566761044 439085753 /nfs/dbraw/zinc/08/57/53/439085753.db2.gz 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CCN(C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000597943986 439201349 /nfs/dbraw/zinc/20/13/49/439201349.db2.gz BJFZAYQQUBZYPX-CQSZACIVSA-N 1 0 334.376 0.877 20 5 ECBDRO CCC(=O)N1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000525783028 439215835 /nfs/dbraw/zinc/21/58/35/439215835.db2.gz VBFPZYDSRJFIGL-ZDUSSCGKSA-N 1 0 325.369 0.097 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1Cn1cc(CCN2CC[NH2+]CC2)nn1 ZINC000603244334 439217792 /nfs/dbraw/zinc/21/77/92/439217792.db2.gz TYIGZXDJMHHWOF-UHFFFAOYSA-N 1 0 346.391 0.691 20 5 ECBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)CC1C[NH+](C)C1 ZINC000598162944 439234502 /nfs/dbraw/zinc/23/45/02/439234502.db2.gz LGBXPZWSOKVLHD-LLVKDONJSA-N 1 0 334.376 0.733 20 5 ECBDRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000582052512 439284745 /nfs/dbraw/zinc/28/47/45/439284745.db2.gz AUYOPLQPKMTAFY-CYBMUJFWSA-N 1 0 338.364 0.189 20 5 ECBDRO C[NH+]1CCC2(CC1)CN(C(=O)c1cc([N+](=O)[O-])c[nH]c1=O)CCO2 ZINC000592951583 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0.355 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cn(CCCC[NH3+])nn1 ZINC000582484959 439340778 /nfs/dbraw/zinc/34/07/78/439340778.db2.gz WCMPIWWGZRRBCT-UHFFFAOYSA-N 1 0 348.363 0.864 20 5 ECBDRO COCC[N@@H+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC000593101675 439343419 /nfs/dbraw/zinc/34/34/19/439343419.db2.gz RFVACACHJLRDTQ-CQSZACIVSA-N 1 0 341.412 0.195 20 5 ECBDRO C[NH2+]C[C@](C)(O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000582491062 439343507 /nfs/dbraw/zinc/34/35/07/439343507.db2.gz TVASFGUQCLDVCZ-INIZCTEOSA-N 1 0 336.392 0.323 20 5 ECBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCCc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000569943151 439377483 /nfs/dbraw/zinc/37/74/83/439377483.db2.gz VSUFOHGRTOQECM-ZIAGYGMSSA-N 1 0 347.375 0.091 20 5 ECBDRO Cn1cc(N2CCC[C@@H]([NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000570038048 439384985 /nfs/dbraw/zinc/38/49/85/439384985.db2.gz RRLRCVOBXPPYGX-DOMZBBRYSA-N 1 0 349.395 0.144 20 5 ECBDRO 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COc1ccc(CC(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000599938343 439579190 /nfs/dbraw/zinc/57/91/90/439579190.db2.gz NTPLBMYTKIDXEV-UONOGXRCSA-N 1 0 349.387 0.813 20 5 ECBDRO COc1cc(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000594613704 439582069 /nfs/dbraw/zinc/58/20/69/439582069.db2.gz QWBJDAXEMKXNIB-QWHCGFSZSA-N 1 0 337.376 0.863 20 5 ECBDRO Cc1[nH]nc(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1[N+](=O)[O-] ZINC000609664905 439583407 /nfs/dbraw/zinc/58/34/07/439583407.db2.gz MPJBIYJEQBRXSG-LBPRGKRZSA-N 1 0 336.396 0.478 20 5 ECBDRO C[C@H](C(=O)N1CCN(C(=O)C[NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000572554603 439590795 /nfs/dbraw/zinc/59/07/95/439590795.db2.gz LNLAKBXSLKVPIO-ZDUSSCGKSA-N 1 0 348.403 0.931 20 5 ECBDRO [NH3+][C@H]1C[C@H]2CN(c3ccnc4cc([N+](=O)[O-])ccc43)CCN2C1=O ZINC000594702741 439593195 /nfs/dbraw/zinc/59/31/95/439593195.db2.gz WHEZWDGYJJQXKX-AAEUAGOBSA-N 1 0 327.344 0.891 20 5 ECBDRO O=[N+]([O-])c1cccnc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)C1 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5 ECBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415752485 208574826 /nfs/dbraw/zinc/57/48/26/208574826.db2.gz XLVFGDUWRVWBLK-VXGBXAGGSA-N 1 0 332.360 0.910 20 5 ECBDRO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[NH2+]1 ZINC000429089294 210298188 /nfs/dbraw/zinc/29/81/88/210298188.db2.gz FLXHJLUQLRMLCF-GFCCVEGCSA-N 1 0 335.364 0.262 20 5 ECBDRO C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000429224067 210306695 /nfs/dbraw/zinc/30/66/95/210306695.db2.gz YANFBMLOADDXFY-WDEREUQCSA-N 1 0 338.364 0.764 20 5 ECBDRO [NH3+]C1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000428751047 210282554 /nfs/dbraw/zinc/28/25/54/210282554.db2.gz UWEUTNDCTJOUEJ-LLVKDONJSA-N 1 0 336.348 0.742 20 5 ECBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428619801 210274593 /nfs/dbraw/zinc/27/45/93/210274593.db2.gz OBNLERMAKRBBGB-NSHDSACASA-N 1 0 335.364 0.207 20 5 ECBDRO C[C@H](NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000419156429 209004784 /nfs/dbraw/zinc/00/47/84/209004784.db2.gz VCTXILDUCFSMBA-MEDUHNTESA-N 1 0 334.376 0.969 20 5 ECBDRO C[C@H](NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1ccccc1[N+](=O)[O-] ZINC000419154572 209004833 /nfs/dbraw/zinc/00/48/33/209004833.db2.gz RSOXHJMDEBKXMZ-YVEFUNNKSA-N 1 0 346.387 0.984 20 5 ECBDRO C[NH+](C)CCOCCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000471641992 254815234 /nfs/dbraw/zinc/81/52/34/254815234.db2.gz IBIYDPCHHRMQLS-UHFFFAOYSA-N 1 0 345.421 0.635 20 5 ECBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000419241303 209039075 /nfs/dbraw/zinc/03/90/75/209039075.db2.gz BSRVQSPKJNHVSA-MDZLAQPJSA-N 1 0 334.376 0.886 20 5 ECBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000419274517 209047262 /nfs/dbraw/zinc/04/72/62/209047262.db2.gz RRNJADAPFUKCCC-MFKMUULPSA-N 1 0 334.376 0.934 20 5 ECBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC000419272425 209047490 /nfs/dbraw/zinc/04/74/90/209047490.db2.gz PODCHGRCIIBWEX-KYOSRNDESA-N 1 0 346.387 0.901 20 5 ECBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000119613750 296643456 /nfs/dbraw/zinc/64/34/56/296643456.db2.gz SBAJHXZYUIKCQX-LLVKDONJSA-N 1 0 325.369 0.511 20 5 ECBDRO O=C(C[NH2+]CC1CC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000160534629 296714113 /nfs/dbraw/zinc/71/41/13/296714113.db2.gz LYVVFBZTXJUYJC-UHFFFAOYSA-N 1 0 346.387 0.879 20 5 ECBDRO C[N@H+]1C[C@H]2CN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@H]2C1 ZINC000193619578 165057905 /nfs/dbraw/zinc/05/79/05/165057905.db2.gz ATAINPXTEISWII-OKILXGFUSA-N 1 0 330.388 0.977 20 5 ECBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000247291746 165157298 /nfs/dbraw/zinc/15/72/98/165157298.db2.gz GLCIAVGDBHPFRK-JSGCOSHPSA-N 1 0 336.392 0.945 20 5 ECBDRO CNC(=O)[C@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000247585692 165165365 /nfs/dbraw/zinc/16/53/65/165165365.db2.gz MGOXWVQYJYEIPI-GXTWGEPZSA-N 1 0 337.376 0.793 20 5 ECBDRO COc1ccc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1[N+](=O)[O-] ZINC000261732440 165233135 /nfs/dbraw/zinc/23/31/35/165233135.db2.gz RXGKKGYSFJXPMH-ZDUSSCGKSA-N 1 0 336.392 0.890 20 5 ECBDRO CC(C)([NH3+])CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000261749290 165237269 /nfs/dbraw/zinc/23/72/69/165237269.db2.gz CCSIEMRQKROHGF-UHFFFAOYSA-N 1 0 342.421 0.638 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000262793723 165388761 /nfs/dbraw/zinc/38/87/61/165388761.db2.gz SKKWZZMYFWFTBB-ZJUUUORDSA-N 1 0 329.378 0.974 20 5 ECBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000263054599 165412271 /nfs/dbraw/zinc/41/22/71/165412271.db2.gz GPIGGXRRNXKZKB-ZYHUDNBSSA-N 1 0 348.359 0.434 20 5 ECBDRO CC[N@H+](CCO)CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000183980586 263158035 /nfs/dbraw/zinc/15/80/35/263158035.db2.gz GNEPWNGHPCYGAS-UHFFFAOYSA-N 1 0 347.375 0.825 20 5 ECBDRO COC(=O)c1cc(C(=O)NC[C@@](C)(O)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000269920835 263212516 /nfs/dbraw/zinc/21/25/16/263212516.db2.gz PYAKCSFAIHSQCY-OAHLLOKOSA-N 1 0 339.348 0.424 20 5 ECBDRO CS[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C[C@H]1[NH+](C)C ZINC000270547058 263251031 /nfs/dbraw/zinc/25/10/31/263251031.db2.gz YXAUKDKOSRDUTL-GHMZBOCLSA-N 1 0 327.410 0.604 20 5 ECBDRO C[NH+](C)C1CN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000270861983 263280770 /nfs/dbraw/zinc/28/07/70/263280770.db2.gz UCWVUOZXMSHZQB-UHFFFAOYSA-N 1 0 338.389 0.558 20 5 ECBDRO CCc1n[nH]c(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1[N+](=O)[O-] ZINC000270964774 263289008 /nfs/dbraw/zinc/28/90/08/263289008.db2.gz AVMFREBSCZWHJG-NSHDSACASA-N 1 0 339.396 0.847 20 5 ECBDRO CNC(=O)c1ccc(N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000284981738 264265161 /nfs/dbraw/zinc/26/51/61/264265161.db2.gz LAQHGDCZLVBJBC-GJZGRUSLSA-N 1 0 334.376 0.864 20 5 ECBDRO Cc1cc(OCC(=O)NCCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000298517109 265259438 /nfs/dbraw/zinc/25/94/38/265259438.db2.gz QRQKSJQQNOPUPX-UHFFFAOYSA-N 1 0 336.392 0.646 20 5 ECBDRO CNc1nc(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000413793525 277303881 /nfs/dbraw/zinc/30/38/81/277303881.db2.gz ARSVIYKQHYYJPF-LLVKDONJSA-N 1 0 337.380 0.608 20 5 ECBDRO CS(=O)(=O)c1ccc(N2CCN(CCC[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000420315924 277502851 /nfs/dbraw/zinc/50/28/51/277502851.db2.gz LXQZYPVPFWRGST-UHFFFAOYSA-N 1 0 342.421 0.469 20 5 ECBDRO COc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000262077715 277922825 /nfs/dbraw/zinc/92/28/25/277922825.db2.gz GWRCCUSDGNNCGJ-NXEZZACHSA-N 1 0 329.378 0.961 20 5 ECBDRO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC[NH2+]1 ZINC000422838663 288045968 /nfs/dbraw/zinc/04/59/68/288045968.db2.gz OTDQVWBIPFSOID-GFCCVEGCSA-N 1 0 334.376 0.865 20 5 ECBDRO CO[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000262107467 294556132 /nfs/dbraw/zinc/55/61/32/294556132.db2.gz JNIXNXFLNCOGDR-NEPJUHHUSA-N 1 0 329.378 0.722 20 5 ECBDRO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C[NH+](C)C ZINC000344890570 298081528 /nfs/dbraw/zinc/08/15/28/298081528.db2.gz ALHMBFORWYPUKJ-SECBINFHSA-N 1 0 345.377 0.610 20 5 ECBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352478013 298932854 /nfs/dbraw/zinc/93/28/54/298932854.db2.gz QYVSWGNZUGTVNA-CZUORRHYSA-N 1 0 347.419 0.901 20 5 ECBDRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000353074463 299008554 /nfs/dbraw/zinc/00/85/54/299008554.db2.gz WSKRRCWQPSFIHX-UHFFFAOYSA-N 1 0 340.767 0.752 20 5 ECBDRO COc1ccc(NC(=O)C(=O)NCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000360773271 300021602 /nfs/dbraw/zinc/02/16/02/300021602.db2.gz QLZNXEHGABUDGQ-UHFFFAOYSA-N 1 0 336.348 0.754 20 5 ECBDRO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@]2(CCOC2)O1 ZINC000361511567 300103407 /nfs/dbraw/zinc/10/34/07/300103407.db2.gz SXXFVYLRDJTKFN-XBFCOCLRSA-N 1 0 326.353 0.032 20 5 ECBDRO O=C1CNCCN1[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000362827139 300224143 /nfs/dbraw/zinc/22/41/43/300224143.db2.gz SFXUCNCMGZRRKC-OAHLLOKOSA-N 1 0 348.403 0.870 20 5 ECBDRO C[N@@H+]1CCC[C@H](N2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)C1 ZINC000364884732 300396998 /nfs/dbraw/zinc/39/69/98/300396998.db2.gz DTEUAEIQPXSZEH-AWEZNQCLSA-N 1 0 347.419 0.910 20 5 ECBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000368377144 300663231 /nfs/dbraw/zinc/66/32/31/300663231.db2.gz LVHNKMMAKSSWMV-CYBMUJFWSA-N 1 0 331.332 0.580 20 5 ECBDRO Cc1cnn(C2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000369825794 300772103 /nfs/dbraw/zinc/77/21/03/300772103.db2.gz KXKGMLNCWHLMEG-HNNXBMFYSA-N 1 0 334.380 0.994 20 5 ECBDRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCc3c2cccc3[N+](=O)[O-])CC1=O ZINC000073848734 436094182 /nfs/dbraw/zinc/09/41/82/436094182.db2.gz NCPVJUVFHIFLAB-LBPRGKRZSA-N 1 0 346.387 0.894 20 5 ECBDRO CN1CCC[C@]2(CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1=O ZINC000372557411 301009145 /nfs/dbraw/zinc/00/91/45/301009145.db2.gz MMQWEAOPAHXBSR-UKRRQHHQSA-N 1 0 337.380 0.097 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000373060214 301044561 /nfs/dbraw/zinc/04/45/61/301044561.db2.gz WMAFDWJQLMUAJS-PWSUYJOCSA-N 1 0 341.389 0.976 20 5 ECBDRO CN1CC[NH2+]C[C@@H]1CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000394106660 301453018 /nfs/dbraw/zinc/45/30/18/301453018.db2.gz ZKYUYDPSLUQDHQ-SNVBAGLBSA-N 1 0 348.812 0.430 20 5 ECBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000090552712 436433737 /nfs/dbraw/zinc/43/37/37/436433737.db2.gz VVWSWNGUJXZPOC-STQMWFEESA-N 1 0 325.390 0.963 20 5 ECBDRO CC[C@H](COC)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015408 436427377 /nfs/dbraw/zinc/42/73/77/436427377.db2.gz NMLLRBGYAAVMFS-LLVKDONJSA-N 1 0 331.394 0.888 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000522000245 301797716 /nfs/dbraw/zinc/79/77/16/301797716.db2.gz NBGDKUAQKAFHFV-MRVPVSSYSA-N 1 0 329.334 0.103 20 5 ECBDRO CCOC(=O)C1(C)CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000092836973 436476666 /nfs/dbraw/zinc/47/66/66/436476666.db2.gz CACUMNJFTLAGFO-ZDUSSCGKSA-N 1 0 340.380 0.817 20 5 ECBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000109093990 436622140 /nfs/dbraw/zinc/62/21/40/436622140.db2.gz ZLFOBBKZTXEIJC-CYBMUJFWSA-N 1 0 330.348 1.000 20 5 ECBDRO CS[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1[NH+](C)C ZINC000272101146 436704318 /nfs/dbraw/zinc/70/43/18/436704318.db2.gz ZOXBLRJQYJXQII-CHWSQXEVSA-N 1 0 326.422 0.734 20 5 ECBDRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000237160353 436725885 /nfs/dbraw/zinc/72/58/85/436725885.db2.gz NUQGLEUVHPWFNA-JTQLQIEISA-N 1 0 329.378 0.976 20 5 ECBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000152653706 436736104 /nfs/dbraw/zinc/73/61/04/436736104.db2.gz VTPGHKFZSDLNAJ-INIZCTEOSA-N 1 0 347.375 0.823 20 5 ECBDRO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)N1CC[NH+](C)CC1 ZINC000153263863 436753225 /nfs/dbraw/zinc/75/32/25/436753225.db2.gz AGKJRVBXUZWWBO-SNVBAGLBSA-N 1 0 348.450 0.571 20 5 ECBDRO O=C(NCCN1CC[NH2+]CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000238086962 436755567 /nfs/dbraw/zinc/75/55/67/436755567.db2.gz NXVYPOXIGGPEDL-UHFFFAOYSA-N 1 0 333.392 0.804 20 5 ECBDRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000125057733 436761287 /nfs/dbraw/zinc/76/12/87/436761287.db2.gz MEEMQKQZIYPXJK-KCJUWKMLSA-N 1 0 333.341 0.471 20 5 ECBDRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000125053425 436762162 /nfs/dbraw/zinc/76/21/62/436762162.db2.gz WTHWISAPFPQMKS-GZMMTYOYSA-N 1 0 349.796 0.985 20 5 ECBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000245601373 436767124 /nfs/dbraw/zinc/76/71/24/436767124.db2.gz VVWSWNGUJXZPOC-CHWSQXEVSA-N 1 0 325.390 0.963 20 5 ECBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000069502460 436777214 /nfs/dbraw/zinc/77/72/14/436777214.db2.gz VCQLXXDUNPNMAL-LBPRGKRZSA-N 1 0 325.369 0.327 20 5 ECBDRO C[C@@H](CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000069534305 436779486 /nfs/dbraw/zinc/77/94/86/436779486.db2.gz ZODNRNFWEDKITM-NSHDSACASA-N 1 0 334.376 0.924 20 5 ECBDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000249514711 436822668 /nfs/dbraw/zinc/82/26/68/436822668.db2.gz PWLMRRWUIFRPDG-NEPJUHHUSA-N 1 0 336.392 0.581 20 5 ECBDRO C[C@H](O)C[N@@H+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000249496929 436821788 /nfs/dbraw/zinc/82/17/88/436821788.db2.gz HBQWRIDLQGYGNM-OLZOCXBDSA-N 1 0 336.392 0.920 20 5 ECBDRO Cc1c(C(=O)N2CC[NH2+]C[C@@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000126450305 436788103 /nfs/dbraw/zinc/78/81/03/436788103.db2.gz ZXAVXXPAGADKKC-JTQLQIEISA-N 1 0 330.348 0.918 20 5 ECBDRO CC[N@H+](CCO)CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000274547879 436841587 /nfs/dbraw/zinc/84/15/87/436841587.db2.gz MBJWSARWNOZFFV-UHFFFAOYSA-N 1 0 334.376 0.980 20 5 ECBDRO Cc1nn(C)c(C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000156936270 436822693 /nfs/dbraw/zinc/82/26/93/436822693.db2.gz DAKGTDBGTDZCIM-GFCCVEGCSA-N 1 0 339.396 0.459 20 5 ECBDRO CC[N@H+](CCO)CCNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000280786613 436920711 /nfs/dbraw/zinc/92/07/11/436920711.db2.gz KMNKSUPSMZAEOB-UHFFFAOYSA-N 1 0 325.365 0.712 20 5 ECBDRO C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000160822146 436879350 /nfs/dbraw/zinc/87/93/50/436879350.db2.gz ZKDBNDRBHLLHCK-ZWNOBZJWSA-N 1 0 329.378 0.473 20 5 ECBDRO C[NH2+][C@H]1CCCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000134016435 436889398 /nfs/dbraw/zinc/88/93/98/436889398.db2.gz KRYIWGGYXUMARP-NSHDSACASA-N 1 0 330.348 1.000 20 5 ECBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000161450333 436891235 /nfs/dbraw/zinc/89/12/35/436891235.db2.gz DIJKMTASAUWQQC-ZDUSSCGKSA-N 1 0 331.394 0.494 20 5 ECBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)NCCn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000161643262 436893976 /nfs/dbraw/zinc/89/39/76/436893976.db2.gz VVIXJODOWUFMMT-JSGCOSHPSA-N 1 0 336.396 0.917 20 5 ECBDRO CN1CCN([C@H]2CCCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000161863515 436897682 /nfs/dbraw/zinc/89/76/82/436897682.db2.gz KTBWEJZHMDNMNM-HNNXBMFYSA-N 1 0 336.440 0.893 20 5 ECBDRO COc1ccc(NC(=O)CC[N@@H+]2CCOC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000295587515 436973771 /nfs/dbraw/zinc/97/37/71/436973771.db2.gz MHFUXYYPIBGLQJ-NSHDSACASA-N 1 0 339.348 0.625 20 5 ECBDRO C[NH+](C)CCN1CCC(Nc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000298442558 437036852 /nfs/dbraw/zinc/03/68/52/437036852.db2.gz DBHVZMIFJCMREU-UHFFFAOYSA-N 1 0 336.396 0.527 20 5 ECBDRO C[N@@H+]1CCN(CCNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1(C)C ZINC000281897749 437005537 /nfs/dbraw/zinc/00/55/37/437005537.db2.gz YUJPTBYLRVUUHH-UHFFFAOYSA-N 1 0 337.380 0.451 20 5 ECBDRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000264010594 437013588 /nfs/dbraw/zinc/01/35/88/437013588.db2.gz ARNKUZBSLNXIAW-UHFFFAOYSA-N 1 0 337.380 0.549 20 5 ECBDRO CN1CCO[C@H]2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000284139220 437044406 /nfs/dbraw/zinc/04/44/06/437044406.db2.gz PSUQHVLZUHSNQQ-CABCVRRESA-N 1 0 335.360 0.905 20 5 ECBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000264700794 437067234 /nfs/dbraw/zinc/06/72/34/437067234.db2.gz DAATZRRVKLTODG-LLVKDONJSA-N 1 0 340.355 0.475 20 5 ECBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1nnc2ccccn21 ZINC000174696594 437085817 /nfs/dbraw/zinc/08/58/17/437085817.db2.gz IDPYOPYSWXMOGA-CMPLNLGQSA-N 1 0 331.336 0.546 20 5 ECBDRO CN1CC[N@H+](C)C[C@H]1CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000286644457 437114431 /nfs/dbraw/zinc/11/44/31/437114431.db2.gz DIWHIKURXFYPBH-LLVKDONJSA-N 1 0 332.364 0.901 20 5 ECBDRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000286684633 437117367 /nfs/dbraw/zinc/11/73/67/437117367.db2.gz CNWRMEFJBYKCAM-AAEUAGOBSA-N 1 0 341.368 0.363 20 5 ECBDRO COCCO[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000179249106 437256807 /nfs/dbraw/zinc/25/68/07/437256807.db2.gz LKVPVBMUZDYRCI-CQSZACIVSA-N 1 0 325.365 0.884 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000267096837 437288833 /nfs/dbraw/zinc/28/88/33/437288833.db2.gz JRTWXWCPWDAWIC-CYBMUJFWSA-N 1 0 327.410 0.653 20 5 ECBDRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000267113681 437292237 /nfs/dbraw/zinc/29/22/37/437292237.db2.gz YFTXXUCWQWVPIY-STQMWFEESA-N 1 0 339.396 0.654 20 5 ECBDRO CCCc1n[nH]c(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000288591540 437336193 /nfs/dbraw/zinc/33/61/93/437336193.db2.gz SLIFUPRPGWWOFF-LLVKDONJSA-N 1 0 339.396 0.847 20 5 ECBDRO CC[N@@H+]1CC[C@@H]2OCCN(c3nccc(C(N)=O)c3[N+](=O)[O-])[C@H]2C1 ZINC000338734955 437415422 /nfs/dbraw/zinc/41/54/22/437415422.db2.gz YQKQIAPYHIUAQH-RYUDHWBXSA-N 1 0 335.364 0.388 20 5 ECBDRO CCn1cc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])n1 ZINC000339047653 437436795 /nfs/dbraw/zinc/43/67/95/437436795.db2.gz NHMNULTYJQDZJA-UWVGGRQHSA-N 1 0 331.398 0.572 20 5 ECBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(CCO)[C@H](C)C1 ZINC000187657321 437508666 /nfs/dbraw/zinc/50/86/66/437508666.db2.gz FQFPWCDYURVYRJ-OLZOCXBDSA-N 1 0 336.392 0.920 20 5 ECBDRO COCC[N@@H+](Cc1cccnc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000191246350 437651744 /nfs/dbraw/zinc/65/17/44/437651744.db2.gz NARKZGALOQITML-HNNXBMFYSA-N 1 0 335.364 0.696 20 5 ECBDRO C[C@@H]1COCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000192509182 437681186 /nfs/dbraw/zinc/68/11/86/437681186.db2.gz UCVPBLHZELQWTB-BXUZGUMPSA-N 1 0 343.405 0.888 20 5 ECBDRO O=C(C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)N1CC[NH2+]CC1 ZINC000423602126 437773460 /nfs/dbraw/zinc/77/34/60/437773460.db2.gz FEMDTDUAVZLVEQ-AWEZNQCLSA-N 1 0 346.387 0.733 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000415534285 437816570 /nfs/dbraw/zinc/81/65/70/437816570.db2.gz XUZKADJMBACKMR-UWVGGRQHSA-N 1 0 336.348 0.738 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000415573074 437824338 /nfs/dbraw/zinc/82/43/38/437824338.db2.gz VFFDGIQPNADTIR-NXEZZACHSA-N 1 0 336.348 0.751 20 5 ECBDRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000363220413 437775761 /nfs/dbraw/zinc/77/57/61/437775761.db2.gz ZVIXSUCARAKCJX-OAHLLOKOSA-N 1 0 348.403 0.731 20 5 ECBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000415444815 437805320 /nfs/dbraw/zinc/80/53/20/437805320.db2.gz DSJGKSGAGRSMTC-GFCCVEGCSA-N 1 0 336.348 0.786 20 5 ECBDRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000415488420 437811199 /nfs/dbraw/zinc/81/11/99/437811199.db2.gz IACLWNXTBONIML-LLVKDONJSA-N 1 0 336.348 0.752 20 5 ECBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000415609961 437831475 /nfs/dbraw/zinc/83/14/75/437831475.db2.gz VCRZSCPKMLBCMD-LBPRGKRZSA-N 1 0 336.348 0.282 20 5 ECBDRO C[NH+](C)CCOCCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000347174387 437846927 /nfs/dbraw/zinc/84/69/27/437846927.db2.gz OGXZBLBAGMHKOB-UHFFFAOYSA-N 1 0 345.421 0.635 20 5 ECBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCOCC[NH+](C)C ZINC000347181484 437848238 /nfs/dbraw/zinc/84/82/38/437848238.db2.gz QSOPYAIJXVBPAZ-UHFFFAOYSA-N 1 0 331.394 0.760 20 5 ECBDRO O=C(NCCN1CC[NH2+]CC1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418303369 438126745 /nfs/dbraw/zinc/12/67/45/438126745.db2.gz NHBLUOHFXZUTBU-UHFFFAOYSA-N 1 0 349.391 0.404 20 5 ECBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@]1(O)CCN(C)C1 ZINC000358224653 438185948 /nfs/dbraw/zinc/18/59/48/438185948.db2.gz CCKZMHLXMRKHEH-MLGOLLRUSA-N 1 0 336.392 0.968 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1NCCCC[NH+]1CCN(CCO)CC1 ZINC000358225843 438187346 /nfs/dbraw/zinc/18/73/46/438187346.db2.gz QVTMKZRBEOAOPY-UHFFFAOYSA-N 1 0 326.401 0.130 20 5 ECBDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000373547118 438157072 /nfs/dbraw/zinc/15/70/72/438157072.db2.gz RZMKVDUEIZZEPW-BFYDXBDKSA-N 1 0 333.388 0.747 20 5 ECBDRO COc1cc(C[N@@H+]2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000367776386 438247627 /nfs/dbraw/zinc/24/76/27/438247627.db2.gz FBISMGUTZBWGQI-WDEREUQCSA-N 1 0 349.343 0.707 20 5 ECBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC[NH2+]C1 ZINC000418818409 438200443 /nfs/dbraw/zinc/20/04/43/438200443.db2.gz TYVKUYGGPSRMFP-NSHDSACASA-N 1 0 340.767 0.385 20 5 ECBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000351174038 438255334 /nfs/dbraw/zinc/25/53/34/438255334.db2.gz WUXKXAGOLFVLQT-LLVKDONJSA-N 1 0 335.364 0.366 20 5 ECBDRO COCC[NH2+]CCCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351581842 438293171 /nfs/dbraw/zinc/29/31/71/438293171.db2.gz OFWXQVHCZGLIFC-UHFFFAOYSA-N 1 0 342.327 0.415 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000368385376 438322457 /nfs/dbraw/zinc/32/24/57/438322457.db2.gz NVGYCTZNRSCYDG-FZMZJTMJSA-N 1 0 346.387 0.971 20 5 ECBDRO O=C(CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)N1CCOCC1 ZINC000368473452 438336942 /nfs/dbraw/zinc/33/69/42/438336942.db2.gz HOOYBIKBPJMUMQ-UHFFFAOYSA-N 1 0 337.380 0.677 20 5 ECBDRO C[NH2+]CCCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000435880946 438391731 /nfs/dbraw/zinc/39/17/31/438391731.db2.gz RRNSHOGPZVJSOH-UHFFFAOYSA-N 1 0 342.421 0.511 20 5 ECBDRO C[C@@H](O)C[N@H+](CCO)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000351936856 438359352 /nfs/dbraw/zinc/35/93/52/438359352.db2.gz MQVDHEPUDSJMAU-LLVKDONJSA-N 1 0 339.348 0.568 20 5 ECBDRO COc1c(F)cc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC000420453553 438408599 /nfs/dbraw/zinc/40/85/99/438408599.db2.gz UZQKGIOJDZADDQ-PELKAZGASA-N 1 0 345.352 0.725 20 5 ECBDRO CN1CC[NH2+]C[C@H]1CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000394786366 438445915 /nfs/dbraw/zinc/44/59/15/438445915.db2.gz KOSMSCYFDKAAOY-JTQLQIEISA-N 1 0 328.394 0.314 20 5 ECBDRO [NH3+]CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440334856 438546398 /nfs/dbraw/zinc/54/63/98/438546398.db2.gz BRBKETYHOWDRRK-UHFFFAOYSA-N 1 0 338.183 0.984 20 5 ECBDRO [NH3+][C@H]1CCC[C@H]1NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422979031 438623259 /nfs/dbraw/zinc/62/32/59/438623259.db2.gz IQVRATVKBOGKJD-WDEREUQCSA-N 1 0 328.394 0.343 20 5 ECBDRO COC(=O)[C@H]1CSCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000412081413 438686306 /nfs/dbraw/zinc/68/63/06/438686306.db2.gz QZYPWGQFHJZWQC-LLVKDONJSA-N 1 0 341.389 0.595 20 5 ECBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000449633615 438687358 /nfs/dbraw/zinc/68/73/58/438687358.db2.gz ZCKXXHSQAKVJCM-DTWKUNHWSA-N 1 0 348.354 0.926 20 5 ECBDRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000494703872 438704575 /nfs/dbraw/zinc/70/45/75/438704575.db2.gz QZNWMQTYRHMZII-ZDUSSCGKSA-N 1 0 343.405 0.987 20 5 ECBDRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000494703871 438705429 /nfs/dbraw/zinc/70/54/29/438705429.db2.gz QZNWMQTYRHMZII-CYBMUJFWSA-N 1 0 343.405 0.987 20 5 ECBDRO CNc1nccc(C(=O)NC2CC[NH+](CCOC)CC2)c1[N+](=O)[O-] ZINC000557568510 438802921 /nfs/dbraw/zinc/80/29/21/438802921.db2.gz DUAVSAASIFNZDQ-UHFFFAOYSA-N 1 0 337.380 0.872 20 5 ECBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000601187324 438829007 /nfs/dbraw/zinc/82/90/07/438829007.db2.gz RNCBWBHUGASMOD-JGVFFNPUSA-N 1 0 335.286 0.602 20 5 ECBDRO [NH3+][C@H]1C[C@@H]2CN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)CCN2C1=O ZINC000514952061 438842688 /nfs/dbraw/zinc/84/26/88/438842688.db2.gz SBUDBGDHPNNPCO-NEPJUHHUSA-N 1 0 337.311 0.510 20 5 ECBDRO CNc1ccc(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1[N+](=O)[O-] ZINC000577508594 438847857 /nfs/dbraw/zinc/84/78/57/438847857.db2.gz KEIBZPBEAVNJBS-QWRGUYRKSA-N 1 0 333.348 0.021 20 5 ECBDRO NC(=O)C1([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000595729922 438852661 /nfs/dbraw/zinc/85/26/61/438852661.db2.gz WYBHUIZTDWBUCF-UHFFFAOYSA-N 1 0 336.348 0.548 20 5 ECBDRO O=C1CCCN1C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000595827329 438866743 /nfs/dbraw/zinc/86/67/43/438866743.db2.gz BQNNYGBFZJXTIH-ZDUSSCGKSA-N 1 0 334.376 0.701 20 5 ECBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000589498096 438873232 /nfs/dbraw/zinc/87/32/32/438873232.db2.gz BTLZVOKTZREVJE-LBPRGKRZSA-N 1 0 337.376 0.880 20 5 ECBDRO C[C@@H](CS(C)(=O)=O)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564854813 438877857 /nfs/dbraw/zinc/87/78/57/438877857.db2.gz BREFELBTZRXTEE-CMPLNLGQSA-N 1 0 332.378 0.357 20 5 ECBDRO C[C@]1(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH2+]C1 ZINC000596049928 438918483 /nfs/dbraw/zinc/91/84/83/438918483.db2.gz KJHGFBIASUBINU-ZDUSSCGKSA-N 1 0 343.361 0.396 20 5 ECBDRO C[N@@H+]1CCC[C@H](CNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000596119695 438927871 /nfs/dbraw/zinc/92/78/71/438927871.db2.gz MWKABMBQCCRVHC-SNVBAGLBSA-N 1 0 328.394 0.996 20 5 ECBDRO CC[NH+](CC)CC(=O)N1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000590576219 438935076 /nfs/dbraw/zinc/93/50/76/438935076.db2.gz CTDTVLRJHOHYSM-UHFFFAOYSA-N 1 0 336.396 0.562 20 5 ECBDRO COCCN(CC[NH+](C)C)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000565604677 438965009 /nfs/dbraw/zinc/96/50/09/438965009.db2.gz QRVUCHXJBYASLO-UHFFFAOYSA-N 1 0 328.344 0.966 20 5 ECBDRO NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000591439070 439014895 /nfs/dbraw/zinc/01/48/95/439014895.db2.gz SJJJFIFDOPGVQC-NOZJJQNGSA-N 1 0 326.378 0.430 20 5 ECBDRO NC(=O)c1cccc([N+](=O)[O-])c1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000591459292 439017474 /nfs/dbraw/zinc/01/74/74/439017474.db2.gz PPONDJJPNCRYER-GXTWGEPZSA-N 1 0 334.376 0.729 20 5 ECBDRO Cc1ccc([C@H](C)NC(=O)NCC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000579572064 439020203 /nfs/dbraw/zinc/02/02/03/439020203.db2.gz WXVBIAJGFUSTPH-LBPRGKRZSA-N 1 0 349.391 0.695 20 5 ECBDRO C[C@H]1CN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C[C@H](C)[NH2+]1 ZINC000591578196 439023447 /nfs/dbraw/zinc/02/34/47/439023447.db2.gz QVKKKFUSAXFNJE-RYUDHWBXSA-N 1 0 346.387 0.688 20 5 ECBDRO CNc1ccc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000520765008 439094774 /nfs/dbraw/zinc/09/47/74/439094774.db2.gz RGAPJNBPJQKEJX-ZDUSSCGKSA-N 1 0 349.391 0.706 20 5 ECBDRO O=C(C[NH+]1CCCC1)N1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000580527372 439099365 /nfs/dbraw/zinc/09/93/65/439099365.db2.gz IDRWPDOROLQCIG-UHFFFAOYSA-N 1 0 337.355 0.873 20 5 ECBDRO C[NH+](C)C1(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000597288747 439071651 /nfs/dbraw/zinc/07/16/51/439071651.db2.gz XMMXVZABMALYHM-UHFFFAOYSA-N 1 0 346.387 0.973 20 5 ECBDRO C[C@@H]([NH3+])C[C@@H](C)NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000520229143 439074143 /nfs/dbraw/zinc/07/41/43/439074143.db2.gz BZGFTKFDWJLKPB-RKDXNWHRSA-N 1 0 345.377 0.770 20 5 ECBDRO COc1cc(OC[C@H](O)CN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000520236031 439077037 /nfs/dbraw/zinc/07/70/37/439077037.db2.gz JYXLVPYSGKOXHQ-GFCCVEGCSA-N 1 0 325.365 0.591 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCN2Cc3ccccc3C2)c1 ZINC000591728453 439078381 /nfs/dbraw/zinc/07/83/81/439078381.db2.gz FYBACWBXYDUEOL-MRXNPFEDSA-N 1 0 331.376 0.758 20 5 ECBDRO COC(=O)c1cc(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000580922147 439148847 /nfs/dbraw/zinc/14/88/47/439148847.db2.gz FMGMDMNDPPIMLX-STQMWFEESA-N 1 0 337.332 0.128 20 5 ECBDRO CN1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C(C)(C)C ZINC000602873256 439151293 /nfs/dbraw/zinc/15/12/93/439151293.db2.gz IFYBQYYCDACHKW-UONOGXRCSA-N 1 0 325.413 0.814 20 5 ECBDRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000592184178 439173945 /nfs/dbraw/zinc/17/39/45/439173945.db2.gz HQEUNMYIBFCXGL-LLVKDONJSA-N 1 0 335.286 0.792 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000592389759 439219165 /nfs/dbraw/zinc/21/91/65/439219165.db2.gz GDRBYNWWTJYLHF-MNOVXSKESA-N 1 0 341.389 0.976 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H](O)[C@@H]2CCOC2)cc1 ZINC000592431074 439226837 /nfs/dbraw/zinc/22/68/37/439226837.db2.gz LCZIUNLWOGWNFB-BXUZGUMPSA-N 1 0 344.389 0.356 20 5 ECBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)n1 ZINC000597942246 439201436 /nfs/dbraw/zinc/20/14/36/439201436.db2.gz JDWUFKSEAQKJPT-LBPRGKRZSA-N 1 0 340.428 0.813 20 5 ECBDRO O=[N+]([O-])c1cc2c(cc1CN1CC[C@@H](N3CC[NH2+]CC3)C1)OCCO2 ZINC000592434551 439227681 /nfs/dbraw/zinc/22/76/81/439227681.db2.gz LHXKOIXBHYHVCQ-CQSZACIVSA-N 1 0 348.403 0.846 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000592381689 439216005 /nfs/dbraw/zinc/21/60/05/439216005.db2.gz XPXBKMVFQCIKNG-ZJUUUORDSA-N 1 0 329.378 0.961 20 5 ECBDRO CC(C)[C@@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000598576397 439281102 /nfs/dbraw/zinc/28/11/02/439281102.db2.gz SAERVHGBPWINRT-AWEZNQCLSA-N 1 0 334.376 0.781 20 5 ECBDRO COC(=O)c1ccnc(NCCCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000598588705 439281403 /nfs/dbraw/zinc/28/14/03/439281403.db2.gz KZKITKFKLLPGKV-UHFFFAOYSA-N 1 0 337.380 0.826 20 5 ECBDRO CN(CC1C[NH+](C)C1)C(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000598158235 439231955 /nfs/dbraw/zinc/23/19/55/439231955.db2.gz DUPDIMTVNCFMCB-UHFFFAOYSA-N 1 0 341.389 0.632 20 5 ECBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCN1CC[NH2+]CC1 ZINC000592472309 439236077 /nfs/dbraw/zinc/23/60/77/439236077.db2.gz WVRMGOUMJFMKDC-ZDUSSCGKSA-N 1 0 335.408 0.759 20 5 ECBDRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000592550086 439249996 /nfs/dbraw/zinc/24/99/96/439249996.db2.gz FKDPKCLVMHKYPR-JTQLQIEISA-N 1 0 327.362 0.942 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593000145 439330603 /nfs/dbraw/zinc/33/06/03/439330603.db2.gz WAFUDYMDOQGKHN-ZIAGYGMSSA-N 1 0 337.376 0.085 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000569449674 439332977 /nfs/dbraw/zinc/33/29/77/439332977.db2.gz NQUTUFHAKVHFBK-RYUDHWBXSA-N 1 0 344.389 0.501 20 5 ECBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000569020144 439299817 /nfs/dbraw/zinc/29/98/17/439299817.db2.gz USYCATQZQNKYIX-LLVKDONJSA-N 1 0 349.391 0.897 20 5 ECBDRO C[C@@H]1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000598665187 439300047 /nfs/dbraw/zinc/30/00/47/439300047.db2.gz LTEYJVVQEKSUTM-MNOVXSKESA-N 1 0 335.364 0.925 20 5 ECBDRO C[C@H](CCC[NH3+])NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000582240904 439307874 /nfs/dbraw/zinc/30/78/74/439307874.db2.gz RKPHJIGRASVSHV-SECBINFHSA-N 1 0 329.378 0.856 20 5 ECBDRO Cc1cc(S(=O)(=O)NCCOCCC[NH3+])c(C)cc1[N+](=O)[O-] ZINC000599110668 439361849 /nfs/dbraw/zinc/36/18/49/439361849.db2.gz YFKBSVZHEOFNIU-UHFFFAOYSA-N 1 0 331.394 0.855 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000599104898 439358350 /nfs/dbraw/zinc/35/83/50/439358350.db2.gz VRPWKNAJUFYRTL-QWRGUYRKSA-N 1 0 343.409 0.481 20 5 ECBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@]1(O)CCS(=O)(=O)C1 ZINC000569868666 439370560 /nfs/dbraw/zinc/37/05/60/439370560.db2.gz YNMQYNJLYZCXRR-TZMCWYRMSA-N 1 0 326.374 0.721 20 5 ECBDRO C[C@@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000599216965 439385584 /nfs/dbraw/zinc/38/55/84/439385584.db2.gz WVWRJZSVYUGISM-MNOVXSKESA-N 1 0 345.425 0.727 20 5 ECBDRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599310618 439425968 /nfs/dbraw/zinc/42/59/68/439425968.db2.gz XIZZPGQPCHINHM-JTQLQIEISA-N 1 0 333.414 0.727 20 5 ECBDRO O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC000593651868 439436111 /nfs/dbraw/zinc/43/61/11/439436111.db2.gz ZTHPRFJFEGIDAL-CYBMUJFWSA-N 1 0 341.389 0.175 20 5 ECBDRO Cc1ccc(C)c(S(=O)(=O)N2CCN(C)C[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC000583325298 439450290 /nfs/dbraw/zinc/45/02/90/439450290.db2.gz HKBKCQZUZVNGSH-GFCCVEGCSA-N 1 0 342.421 0.475 20 5 ECBDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000593918111 439493732 /nfs/dbraw/zinc/49/37/32/439493732.db2.gz ARCYNYNZKQYYBI-FRRDWIJNSA-N 1 0 337.380 0.679 20 5 ECBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000594025150 439509327 /nfs/dbraw/zinc/50/93/27/439509327.db2.gz BISLSXHHBVSOCB-UONOGXRCSA-N 1 0 335.360 0.632 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])c([N+](=O)[O-])n1 ZINC000593730914 439457097 /nfs/dbraw/zinc/45/70/97/439457097.db2.gz NMPYKOFYAYUTOB-GHMZBOCLSA-N 1 0 345.425 0.949 20 5 ECBDRO CC(C)[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCOCC1 ZINC000583910308 439526578 /nfs/dbraw/zinc/52/65/78/439526578.db2.gz HJDGOZJLRRYIMY-GJZGRUSLSA-N 1 0 341.412 0.099 20 5 ECBDRO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594393468 439554162 /nfs/dbraw/zinc/55/41/62/439554162.db2.gz OBLIPSINMYKEOD-NWDGAFQWSA-N 1 0 349.343 0.257 20 5 ECBDRO COc1ccc(C[NH2+]CCCN(C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000609287745 439563489 /nfs/dbraw/zinc/56/34/89/439563489.db2.gz ZOTMPHZWWGVIRM-UHFFFAOYSA-N 1 0 331.394 0.975 20 5 ECBDRO COc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000599896762 439572692 /nfs/dbraw/zinc/57/26/92/439572692.db2.gz SHFIGNVIGOVHDL-GXSJLCMTSA-N 1 0 336.348 0.799 20 5 ECBDRO [NH3+]C1(CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCOCC1 ZINC000599916847 439575335 /nfs/dbraw/zinc/57/53/35/439575335.db2.gz GFHHIPLGQMVVEQ-UHFFFAOYSA-N 1 0 348.363 0.778 20 5 ECBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000599938026 439578872 /nfs/dbraw/zinc/57/88/72/439578872.db2.gz KOYNKXOLQKJXCX-OLZOCXBDSA-N 1 0 335.360 0.641 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)cccc1[N+](=O)[O-] ZINC000599951174 439584310 /nfs/dbraw/zinc/58/43/10/439584310.db2.gz SUNKSPJVIKFBIL-AWEZNQCLSA-N 1 0 346.387 0.920 20 5 ECBDRO [NH3+][C@H]1C[C@H]2CN(c3c4ccccc4ncc3[N+](=O)[O-])CCN2C1=O ZINC000594702798 439593111 /nfs/dbraw/zinc/59/31/11/439593111.db2.gz ZVIIOAJUZJTIFO-JQWIXIFHSA-N 1 0 327.344 0.891 20 5 ECBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000572587052 439593434 /nfs/dbraw/zinc/59/34/34/439593434.db2.gz OTKHSJLVIXOIKB-VHDGCEQUSA-N 1 0 346.387 0.797 20 5 ECBDRO O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000594748979 439600746 /nfs/dbraw/zinc/60/07/46/439600746.db2.gz QTUDIDAPWBXTSR-WDEREUQCSA-N 1 0 326.378 0.895 20 5 ECBDRO COCC[N@H+](C)CCN1C[C@@H](Nc2ncccc2[N+](=O)[O-])CC1=O ZINC000594874551 439636228 /nfs/dbraw/zinc/63/62/28/439636228.db2.gz ZVFWEOGOCHGEPO-LBPRGKRZSA-N 1 0 337.380 0.581 20 5 ECBDRO CO[C@H]1C[C@@H](C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)[N@H+](C)C1 ZINC000585803566 439654142 /nfs/dbraw/zinc/65/41/42/439654142.db2.gz QDQDQQDNERAPPH-ZFWWWQNUSA-N 1 0 335.360 0.904 20 5 ECBDRO Cc1cc(S(=O)(=O)N2CCN(C)C[C@H]2C[NH3+])c(C)cc1[N+](=O)[O-] ZINC000573743910 439665416 /nfs/dbraw/zinc/66/54/16/439665416.db2.gz VORSCNYXKMRDRA-GFCCVEGCSA-N 1 0 342.421 0.475 20 5 ECBDRO CN(C[C@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000584832504 439620363 /nfs/dbraw/zinc/62/03/63/439620363.db2.gz BVNWEDOYDKJKMS-SNVBAGLBSA-N 1 0 328.394 0.773 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000595228495 439676753 /nfs/dbraw/zinc/67/67/53/439676753.db2.gz AZZYMVXKBUEXAM-MFKMUULPSA-N 1 0 334.376 0.829 20 5 ECBDRO [NH3+][C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@H]1F ZINC000595260781 439683750 /nfs/dbraw/zinc/68/37/50/439683750.db2.gz KUNHPRLPXSVQBV-NXEZZACHSA-N 1 0 325.296 0.877 20 5 ECBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1nnc2ccccn21 ZINC000174696607 320519146 /nfs/dbraw/zinc/51/91/46/320519146.db2.gz IDPYOPYSWXMOGA-ZYHUDNBSSA-N 1 0 331.336 0.546 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@]2(CO)CCOc3ccccc32)c1 ZINC000281777135 320601506 /nfs/dbraw/zinc/60/15/06/320601506.db2.gz SSRLLKWEHWPMKF-XJKSGUPXSA-N 1 0 348.359 0.412 20 5 ECBDRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000330612983 320844270 /nfs/dbraw/zinc/84/42/70/320844270.db2.gz RNBJSCNFXYDLBS-NEPJUHHUSA-N 1 0 331.398 0.241 20 5 ECBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000330837736 320866145 /nfs/dbraw/zinc/86/61/45/320866145.db2.gz TZLYBQWLXMXNBI-UHFFFAOYSA-N 1 0 339.348 0.487 20 5 ECBDRO CC[NH+]1CCC(n2nccc2NC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000340136964 321018024 /nfs/dbraw/zinc/01/80/24/321018024.db2.gz NTQAJIFMGXRQNZ-UHFFFAOYSA-N 1 0 348.367 0.678 20 5 ECBDRO Cn1c(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000344395397 321148834 /nfs/dbraw/zinc/14/88/34/321148834.db2.gz BFYKBGLAOMKQON-UHFFFAOYSA-N 1 0 335.408 0.787 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000345107556 321174648 /nfs/dbraw/zinc/17/46/48/321174648.db2.gz TUEMIGQCHOQCKS-GFCCVEGCSA-N 1 0 336.348 0.882 20 5 ECBDRO C[C@@H]1OCC[C@]12C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CCO2 ZINC000348248653 321271597 /nfs/dbraw/zinc/27/15/97/321271597.db2.gz PKXFSYPZHBAFAT-UBHSHLNASA-N 1 0 326.353 0.032 20 5 ECBDRO C[NH+](C)CCOC1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000351828143 321337645 /nfs/dbraw/zinc/33/76/45/321337645.db2.gz UWKMCNMSQVQHED-UHFFFAOYSA-N 1 0 337.380 0.636 20 5 ECBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)c1 ZINC000351880479 321338753 /nfs/dbraw/zinc/33/87/53/321338753.db2.gz KJVIIZVCAUEXIX-CQSZACIVSA-N 1 0 345.421 0.803 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1COC[C@@H]1O ZINC000352795814 321372323 /nfs/dbraw/zinc/37/23/23/321372323.db2.gz FUPHLUJVJAOJKY-STQMWFEESA-N 1 0 339.348 0.624 20 5 ECBDRO COC(=O)COc1ccc(C[NH2+][C@@]2(CO)CCOC2)cc1[N+](=O)[O-] ZINC000353230888 321386054 /nfs/dbraw/zinc/38/60/54/321386054.db2.gz IGIJPUZDDNHWIF-OAHLLOKOSA-N 1 0 340.332 0.388 20 5 ECBDRO C[NH+]1CCC(CCO)(NC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000354143226 321447462 /nfs/dbraw/zinc/44/74/62/321447462.db2.gz MAEWDPLTMDNKJL-UHFFFAOYSA-N 1 0 325.369 0.144 20 5 ECBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000354424431 321477110 /nfs/dbraw/zinc/47/71/10/321477110.db2.gz QIVZNSPIMIMQMU-LBPRGKRZSA-N 1 0 335.408 0.933 20 5 ECBDRO C[C@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[NH2+]1 ZINC000356369830 321528353 /nfs/dbraw/zinc/52/83/53/321528353.db2.gz FPLZAOOGLNANIH-RYUDHWBXSA-N 1 0 349.391 0.603 20 5 ECBDRO CC(C)NC(=O)CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000555563523 322183827 /nfs/dbraw/zinc/18/38/27/322183827.db2.gz IWSSMWDLFXIRFJ-CYBMUJFWSA-N 1 0 325.365 0.839 20 5 ECBDRO O=C(CNC(=O)c1ccc([N+](=O)[O-])cn1)NCC[NH+]1CCCCCC1 ZINC000557128715 322204577 /nfs/dbraw/zinc/20/45/77/322204577.db2.gz HZABXOROLSPJEB-UHFFFAOYSA-N 1 0 349.391 0.712 20 5 ECBDRO CC(C)[NH2+]CCCNC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000562821313 322286397 /nfs/dbraw/zinc/28/63/97/322286397.db2.gz MDCVKMSCGXEPKI-UHFFFAOYSA-N 1 0 336.392 0.758 20 5 ECBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCN(C)C[C@@H]2C[NH3+])c1 ZINC000566301233 322522644 /nfs/dbraw/zinc/52/26/44/322522644.db2.gz UOUVHWMCWZEBNF-LBPRGKRZSA-N 1 0 342.421 0.475 20 5 ECBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000566728426 322550585 /nfs/dbraw/zinc/55/05/85/322550585.db2.gz VACMTPRNPMJCIQ-GXTWGEPZSA-N 1 0 334.376 0.845 20 5 ECBDRO C[C@@H]1COCCN1CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567679096 322592254 /nfs/dbraw/zinc/59/22/54/322592254.db2.gz KVBNXKJLUJRHGB-KGLIPLIRSA-N 1 0 339.392 0.645 20 5 ECBDRO CC(C)[C@@H]([NH3+])CNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000567871800 322602573 /nfs/dbraw/zinc/60/25/73/322602573.db2.gz NMFNHFAAWYNSLI-ZDUSSCGKSA-N 1 0 336.396 0.805 20 5 ECBDRO O=C(NCC1=CC[NH2+]CC1)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000569217039 322646847 /nfs/dbraw/zinc/64/68/47/322646847.db2.gz DHATZVHHORADED-UHFFFAOYSA-N 1 0 344.371 0.515 20 5 ECBDRO CS(=O)(=O)CCC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000572393332 322743969 /nfs/dbraw/zinc/74/39/69/322743969.db2.gz FWCGEAVTVFOZQB-LLVKDONJSA-N 1 0 332.378 0.359 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000574271702 322776383 /nfs/dbraw/zinc/77/63/83/322776383.db2.gz YDGCNLYFOVRXBV-NWDGAFQWSA-N 1 0 344.389 0.501 20 5 ECBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000576576643 322810083 /nfs/dbraw/zinc/81/00/83/322810083.db2.gz ILLCVTKCWMJLCP-GFCCVEGCSA-N 1 0 334.376 0.865 20 5 ECBDRO [NH3+][C@H]1C[C@@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CCN2C1=O ZINC000577077743 322824385 /nfs/dbraw/zinc/82/43/85/322824385.db2.gz OTDYXKOIPZGDRL-MNOVXSKESA-N 1 0 331.332 0.480 20 5 ECBDRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000579589834 322901389 /nfs/dbraw/zinc/90/13/89/322901389.db2.gz RQXVMBHBOBKRPX-JMSVASOKSA-N 1 0 337.380 0.440 20 5 ECBDRO Cc1c(C(=O)N2CC[C@@H](C[NH3+])C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000178567744 533761430 /nfs/dbraw/zinc/76/14/30/533761430.db2.gz JPJUXXMKBOCSJR-NSHDSACASA-N 1 0 330.348 0.905 20 5 ECBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000184081235 533913102 /nfs/dbraw/zinc/91/31/02/533913102.db2.gz KULXDQYXYGADHL-GFCCVEGCSA-N 1 0 335.408 0.933 20 5 ECBDRO Cc1ncc2c(n1)CC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000577275038 518193284 /nfs/dbraw/zinc/19/32/84/518193284.db2.gz HIRRDKODLBPKEN-GXTWGEPZSA-N 1 0 332.364 0.398 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178097314 534618212 /nfs/dbraw/zinc/61/82/12/534618212.db2.gz NEMMQTYRTNXIJH-CYBMUJFWSA-N 1 0 337.380 0.280 20 5 ECBDRO CC[N@H+](CCO)CCNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000184336238 528552647 /nfs/dbraw/zinc/55/26/47/528552647.db2.gz UHYPGEMVYZXOOF-UHFFFAOYSA-N 1 0 349.384 0.635 20 5 ECBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000619873743 546376363 /nfs/dbraw/zinc/37/63/63/546376363.db2.gz TWRVUPLIAVBLJM-LBPRGKRZSA-N 1 0 334.376 0.723 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](CCO)c2cccs2)c1 ZINC000754381810 579417321 /nfs/dbraw/zinc/41/73/21/579417321.db2.gz LBNMIXKKCOCFMT-VXGBXAGGSA-N 1 0 326.378 0.927 20 5 ECBDRO CN1CC[N@H+](C)C[C@@H]1CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736862220 578458748 /nfs/dbraw/zinc/45/87/48/578458748.db2.gz AJZRCCSSDLDCPX-NSHDSACASA-N 1 0 332.368 0.433 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000783910590 578747123 /nfs/dbraw/zinc/74/71/23/578747123.db2.gz HXJRJOSCFYKHHK-MNOVXSKESA-N 1 0 330.362 0.111 20 5 ECBDRO CCNS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000774240983 579243859 /nfs/dbraw/zinc/24/38/59/579243859.db2.gz TYHSJPNKRUPOPT-NEPJUHHUSA-N 1 0 345.425 0.804 20 5 ECBDRO NS(=O)(=O)C1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776595288 579285577 /nfs/dbraw/zinc/28/55/77/579285577.db2.gz GZHBWFDLJHEBNX-CYBMUJFWSA-N 1 0 329.378 0.381 20 5 ECBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000762720759 579546969 /nfs/dbraw/zinc/54/69/69/579546969.db2.gz ZNEPNLOWLUIRCT-CYBMUJFWSA-N 1 0 329.303 0.869 20 5 ECBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CCC[N@@H+](CCO)CC1 ZINC000739889738 579720985 /nfs/dbraw/zinc/72/09/85/579720985.db2.gz YGKRHNLKGQNFGK-UHFFFAOYSA-N 1 0 348.403 0.991 20 5 ECBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)C[C@@H](O)C[NH3+] ZINC000842475902 589031803 /nfs/dbraw/zinc/03/18/03/589031803.db2.gz WFXOXYAVNRIMJS-WPRPVWTQSA-N 1 0 330.772 0.827 20 5 ECBDRO C[NH2+]CCN(C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000842473968 589031931 /nfs/dbraw/zinc/03/19/31/589031931.db2.gz XBXXSVLZRYXICO-UHFFFAOYSA-N 1 0 335.408 0.395 20 5 ECBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)C[C@H](O)C[NH3+] ZINC000842475901 589031976 /nfs/dbraw/zinc/03/19/76/589031976.db2.gz WFXOXYAVNRIMJS-WCBMZHEXSA-N 1 0 330.772 0.827 20 5 ECBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@H](C)C[NH3+])c(C)c1[N+](=O)[O-] ZINC000842763247 589035607 /nfs/dbraw/zinc/03/56/07/589035607.db2.gz XWDNYRCBOXGALX-ZCFIWIBFSA-N 1 0 332.338 0.745 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896545521 586250775 /nfs/dbraw/zinc/25/07/75/586250775.db2.gz QOAUWOKTQQOOAC-SMDDNHRTSA-N 1 0 336.392 0.968 20 5 ECBDRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000841213334 586406485 /nfs/dbraw/zinc/40/64/85/586406485.db2.gz NDHIPBNLZMNTOX-VIFPVBQESA-N 1 0 342.739 0.373 20 5 ECBDRO O=C([C@H](C[NH2+]CC[N+](=O)[O-])Cc1cccc(F)c1)N1CCOCC1 ZINC000905242750 586881730 /nfs/dbraw/zinc/88/17/30/586881730.db2.gz KHIUTWGNIDRCIB-AWEZNQCLSA-N 1 0 339.367 0.710 20 5 ECBDRO COc1c(C)cnc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1C ZINC000818988426 587463588 /nfs/dbraw/zinc/46/35/88/587463588.db2.gz PDJSNYNHEFNQDE-ZDUSSCGKSA-N 1 0 335.364 0.962 20 5 ECBDRO O=C1[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1C1CCOCC1 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C[C@@H](NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000419156428 209004068 /nfs/dbraw/zinc/00/40/68/209004068.db2.gz VCTXILDUCFSMBA-BZNIZROVSA-N 1 0 334.376 0.969 20 5 ECBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000487168039 254832838 /nfs/dbraw/zinc/83/28/38/254832838.db2.gz ZAKDDHLRAJBJRW-CQSZACIVSA-N 1 0 329.303 0.598 20 5 ECBDRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000419168772 209010955 /nfs/dbraw/zinc/01/09/55/209010955.db2.gz SXKRPDUSFPHICP-SECBINFHSA-N 1 0 340.767 0.685 20 5 ECBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158440222 533298985 /nfs/dbraw/zinc/29/89/85/533298985.db2.gz QJVBXUINJGQBPQ-SJKOYZFVSA-N 1 0 346.387 0.925 20 5 ECBDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000295421876 296796444 /nfs/dbraw/zinc/79/64/44/296796444.db2.gz CMFFEFVCFDATMS-MJBXVCDLSA-N 1 0 340.380 0.864 20 5 ECBDRO 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0.611 20 5 ECBDRO CCCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](CCOC)C2)c1[N+](=O)[O-] ZINC000346201681 298238184 /nfs/dbraw/zinc/23/81/84/298238184.db2.gz GJISPCWZWPYUDH-SNVBAGLBSA-N 1 0 325.369 0.721 20 5 ECBDRO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000346649076 298311772 /nfs/dbraw/zinc/31/17/72/298311772.db2.gz GJNHWNYCIDXKBF-IATRGZMQSA-N 1 0 349.387 0.920 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000346717685 298327248 /nfs/dbraw/zinc/32/72/48/298327248.db2.gz GMNWSQIOELAIJA-CYBMUJFWSA-N 1 0 339.396 0.669 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)n1 ZINC000347758681 298503604 /nfs/dbraw/zinc/50/36/04/298503604.db2.gz PLDRAPUVURSTPT-UHFFFAOYSA-N 1 0 345.363 0.727 20 5 ECBDRO CCn1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c([N+](=O)[O-])n1 ZINC000353218318 299023955 /nfs/dbraw/zinc/02/39/55/299023955.db2.gz NWNQMOVQHNUIJL-ZJUUUORDSA-N 1 0 331.398 0.607 20 5 ECBDRO C[NH+](C)CCN1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000363015584 300241247 /nfs/dbraw/zinc/24/12/47/300241247.db2.gz DMHLDHSXBHMZPY-UHFFFAOYSA-N 1 0 338.412 0.277 20 5 ECBDRO C[C@H](CO)N1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000364914049 300399573 /nfs/dbraw/zinc/39/95/73/300399573.db2.gz ILOLFZCYRCOPHI-GFCCVEGCSA-N 1 0 343.405 0.672 20 5 ECBDRO C[C@@H](CO)N1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000364914051 300399678 /nfs/dbraw/zinc/39/96/78/300399678.db2.gz ILOLFZCYRCOPHI-LBPRGKRZSA-N 1 0 343.405 0.672 20 5 ECBDRO COc1cc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000366313640 300539296 /nfs/dbraw/zinc/53/92/96/300539296.db2.gz QUNYGYUDVFKMGX-ZYHUDNBSSA-N 1 0 341.389 0.976 20 5 ECBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[N@H+](C)C1CC1 ZINC000070449474 435986572 /nfs/dbraw/zinc/98/65/72/435986572.db2.gz ZQNMVAMWVFKBNE-LLVKDONJSA-N 1 0 334.376 0.924 20 5 ECBDRO CNS(=O)(=O)CCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072664986 436052830 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339.396 0.121 20 5 ECBDRO Cc1cc(C)c(S(=O)(=O)N2CCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000374087326 301096445 /nfs/dbraw/zinc/09/64/45/301096445.db2.gz PKEVGARWFSTKGH-NSHDSACASA-N 1 0 329.378 0.560 20 5 ECBDRO COc1ccccc1[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCN1 ZINC000374366242 301105466 /nfs/dbraw/zinc/10/54/66/301105466.db2.gz RPEQFUKXSYDRJY-CQSZACIVSA-N 1 0 345.359 0.973 20 5 ECBDRO NC(=O)c1ccc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000375356087 301169479 /nfs/dbraw/zinc/16/94/79/301169479.db2.gz QDZBLSKKBMHMLQ-IUODEOHRSA-N 1 0 332.360 0.841 20 5 ECBDRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000375494101 301180374 /nfs/dbraw/zinc/18/03/74/301180374.db2.gz FDLGPQQFSCBYMF-NSHDSACASA-N 1 0 347.375 1.000 20 5 ECBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000183162895 301297685 /nfs/dbraw/zinc/29/76/85/301297685.db2.gz KXPFDCQMMYGAOO-ZDUSSCGKSA-N 1 0 349.384 0.633 20 5 ECBDRO C[NH2+]CCN(C)S(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000420430554 301466550 /nfs/dbraw/zinc/46/65/50/301466550.db2.gz DHIHWUVZGSLARQ-UHFFFAOYSA-N 1 0 331.350 0.221 20 5 ECBDRO NC(=O)CC1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000048025048 436437446 /nfs/dbraw/zinc/43/74/46/436437446.db2.gz FPMVZDPCMSCINE-CQSZACIVSA-N 1 0 337.376 0.922 20 5 ECBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000048245628 436445178 /nfs/dbraw/zinc/44/51/78/436445178.db2.gz JFXFQWGPRDEBAI-CYBMUJFWSA-N 1 0 330.348 0.577 20 5 ECBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000053569738 436536287 /nfs/dbraw/zinc/53/62/87/436536287.db2.gz ABJVNZISGUBBCF-UHFFFAOYSA-N 1 0 337.380 0.362 20 5 ECBDRO NC(=O)[C@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000104680316 436560684 /nfs/dbraw/zinc/56/06/84/436560684.db2.gz XRLPJJKAVAPIPN-CQSZACIVSA-N 1 0 346.343 0.978 20 5 ECBDRO CC(C)c1n[nH]c(C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC000552028296 302381329 /nfs/dbraw/zinc/38/13/29/302381329.db2.gz UOHSECHHMGZLEM-HNNXBMFYSA-N 1 0 337.380 0.628 20 5 ECBDRO Cc1n[nH]c(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1[N+](=O)[O-] ZINC000269359333 436663844 /nfs/dbraw/zinc/66/38/44/436663844.db2.gz KBCDOPHOBIJZAL-NSHDSACASA-N 1 0 325.369 0.593 20 5 ECBDRO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000139571795 436666696 /nfs/dbraw/zinc/66/66/96/436666696.db2.gz WDHQTTMLVAKVDJ-ZDUSSCGKSA-N 1 0 348.407 0.916 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCC[NH2+]C1 ZINC000237205839 436728135 /nfs/dbraw/zinc/72/81/35/436728135.db2.gz TYGHXPBTFHKBJA-JTQLQIEISA-N 1 0 329.378 0.881 20 5 ECBDRO COCC[NH2+]CCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237325814 436731839 /nfs/dbraw/zinc/73/18/39/436731839.db2.gz AYEWBJBCVAAFTG-UHFFFAOYSA-N 1 0 347.375 0.961 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN1CC[NH2+]CC1 ZINC000237572084 436738449 /nfs/dbraw/zinc/73/84/49/436738449.db2.gz DHBHBZLASYCNBT-UHFFFAOYSA-N 1 0 328.394 0.087 20 5 ECBDRO COCC[N@@H+]1CC[C@H](Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000273502891 436760947 /nfs/dbraw/zinc/76/09/47/436760947.db2.gz SGVXSNZBVGSVCV-JTQLQIEISA-N 1 0 344.393 0.375 20 5 ECBDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000156742248 436821470 /nfs/dbraw/zinc/82/14/70/436821470.db2.gz RZQXQYZNMBIJNV-GFCCVEGCSA-N 1 0 334.376 0.994 20 5 ECBDRO Cc1sc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000125718645 436773975 /nfs/dbraw/zinc/77/39/75/436773975.db2.gz ZQQAREYPYAZQED-NSHDSACASA-N 1 0 337.423 0.556 20 5 ECBDRO CNS(=O)(=O)[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000155682098 436800291 /nfs/dbraw/zinc/80/02/91/436800291.db2.gz WTHRZJBIMWJTAM-ZDUSSCGKSA-N 1 0 329.378 0.597 20 5 ECBDRO C[NH+](C)CCNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000130716640 436841353 /nfs/dbraw/zinc/84/13/53/436841353.db2.gz BKLYQMNIEGIDDZ-UHFFFAOYSA-N 1 0 328.756 0.656 20 5 ECBDRO CN(CC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000262360116 436928201 /nfs/dbraw/zinc/92/82/01/436928201.db2.gz KIRDMHQGZQEPJV-AWEZNQCLSA-N 1 0 347.419 0.537 20 5 ECBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262024652 436901885 /nfs/dbraw/zinc/90/18/85/436901885.db2.gz JBPKJZSAWQRVLM-CQSZACIVSA-N 1 0 334.376 0.480 20 5 ECBDRO CNC(=O)c1ccc(N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000275460475 436971814 /nfs/dbraw/zinc/97/18/14/436971814.db2.gz YVDFXBQVAZUTNV-RYUDHWBXSA-N 1 0 336.392 0.846 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccccc1C(=O)NCC[NH3+] ZINC000262437047 436933405 /nfs/dbraw/zinc/93/34/05/436933405.db2.gz TWOIOKCRZMCQPX-UHFFFAOYSA-N 1 0 346.347 0.427 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](OCc3ccncc3)C2)c1 ZINC000280935528 436935674 /nfs/dbraw/zinc/93/56/74/436935674.db2.gz HLJYWYCVPBJXAD-HZPDHXFCSA-N 1 0 347.375 0.838 20 5 ECBDRO Cc1n[nH]c(C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000264862595 437097285 /nfs/dbraw/zinc/09/72/85/437097285.db2.gz FIBZDWUPGYLIDN-LBPRGKRZSA-N 1 0 338.412 0.628 20 5 ECBDRO C[N@@H+]1CCC[C@@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301210491 437115696 /nfs/dbraw/zinc/11/56/96/437115696.db2.gz SSQMNQOYAVFTDD-JTQLQIEISA-N 1 0 328.394 0.996 20 5 ECBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000313354738 437172523 /nfs/dbraw/zinc/17/25/23/437172523.db2.gz PCVRMIWQRREKJI-LLVKDONJSA-N 1 0 329.378 0.642 20 5 ECBDRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000316638719 437187353 /nfs/dbraw/zinc/18/73/53/437187353.db2.gz OHLLWJOQTLCYND-KWQFWETISA-N 1 0 349.796 0.985 20 5 ECBDRO CNS(=O)(=O)c1ccc(N2C[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000316722928 437190299 /nfs/dbraw/zinc/19/02/99/437190299.db2.gz YEDWQABPPJTXTN-NXEZZACHSA-N 1 0 326.378 0.159 20 5 ECBDRO CCOC[C@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000178006014 437203084 /nfs/dbraw/zinc/20/30/84/437203084.db2.gz NJZYLYGNGMWOIX-NSHDSACASA-N 1 0 331.394 0.888 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000322438373 437217715 /nfs/dbraw/zinc/21/77/15/437217715.db2.gz RABFRZVLKQHJLB-RNCFNFMXSA-N 1 0 345.377 0.340 20 5 ECBDRO C[C@@H]1[NH2+]CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000277550533 437230880 /nfs/dbraw/zinc/23/08/80/437230880.db2.gz YRCBCCKJXFAKDQ-RYUDHWBXSA-N 1 0 334.376 0.924 20 5 ECBDRO NC(=O)c1ccc(CN2CC[NH+](C[C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000178826488 437233632 /nfs/dbraw/zinc/23/36/32/437233632.db2.gz GKQZLIHVVRPURW-CYBMUJFWSA-N 1 0 348.403 0.848 20 5 ECBDRO C[NH+]1CCC(O)(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000266764753 437239835 /nfs/dbraw/zinc/23/98/35/437239835.db2.gz OLFHUBVTBHQBLF-UHFFFAOYSA-N 1 0 326.328 0.503 20 5 ECBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000277896707 437261407 /nfs/dbraw/zinc/26/14/07/437261407.db2.gz DUHSODXWKNGBOH-ZDUSSCGKSA-N 1 0 334.376 0.973 20 5 ECBDRO CC[NH+]1CCN(CCCNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000180528897 437290968 /nfs/dbraw/zinc/29/09/68/437290968.db2.gz WIQYCHBBXZGVTI-UHFFFAOYSA-N 1 0 336.396 0.329 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000267134366 437293622 /nfs/dbraw/zinc/29/36/22/437293622.db2.gz GAYWMZYVJKLWMC-UHFFFAOYSA-N 1 0 344.375 0.967 20 5 ECBDRO NC(=O)C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C1CCOCC1 ZINC000181979693 437332612 /nfs/dbraw/zinc/33/26/12/437332612.db2.gz FUCUCDKPFXXDHF-ZDUSSCGKSA-N 1 0 338.364 0.017 20 5 ECBDRO CCC(CC)(CC(=O)OC)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000268448096 437419081 /nfs/dbraw/zinc/41/90/81/437419081.db2.gz HVLOQMDMVZJVDG-GFCCVEGCSA-N 1 0 328.369 0.864 20 5 ECBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000184070259 437396776 /nfs/dbraw/zinc/39/67/76/437396776.db2.gz KDKMFMRLYVIXJB-LBPRGKRZSA-N 1 0 335.408 0.933 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCOCC3(CCOCC3)C2)c1 ZINC000184099607 437400038 /nfs/dbraw/zinc/40/00/38/437400038.db2.gz SMQKYNSMDLYTAM-CQSZACIVSA-N 1 0 340.380 0.281 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000184346610 437400713 /nfs/dbraw/zinc/40/07/13/437400713.db2.gz SFQDODCRXWKNFZ-GFCCVEGCSA-N 1 0 338.412 0.242 20 5 ECBDRO C[C@@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)N1CC[NH+](C)CC1 ZINC000330467540 437521868 /nfs/dbraw/zinc/52/18/68/437521868.db2.gz YICNFOQYEJLTFF-LBPRGKRZSA-N 1 0 338.412 0.279 20 5 ECBDRO C[NH+]1CCN(CCNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000188204696 437533137 /nfs/dbraw/zinc/53/31/37/437533137.db2.gz NWKRFVAIMMBBHF-UHFFFAOYSA-N 1 0 342.421 0.262 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000188694468 437562285 /nfs/dbraw/zinc/56/22/85/437562285.db2.gz RESIMIJDFOLBOX-NSHDSACASA-N 1 0 339.396 0.403 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000355341834 437699068 /nfs/dbraw/zinc/69/90/68/437699068.db2.gz YHCPVSZDEKPLJA-VIFPVBQESA-N 1 0 333.352 0.530 20 5 ECBDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000423599445 437772646 /nfs/dbraw/zinc/77/26/46/437772646.db2.gz XTASEGSZIOOVNH-AWEZNQCLSA-N 1 0 348.403 0.806 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000415573082 437824361 /nfs/dbraw/zinc/82/43/61/437824361.db2.gz VFFDGIQPNADTIR-ZJUUUORDSA-N 1 0 336.348 0.751 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000423612378 437778592 /nfs/dbraw/zinc/77/85/92/437778592.db2.gz UALUQBWNPCQJFK-BETUJISGSA-N 1 0 332.360 0.311 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N[C@H]2CCC[NH2+][C@@H]2C)ccc1[N+](=O)[O-] ZINC000423620914 437782983 /nfs/dbraw/zinc/78/29/83/437782983.db2.gz XAUSJZYJZGSYBA-YPMHNXCESA-N 1 0 334.376 0.890 20 5 ECBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CCC[C@H]1C[NH3+] ZINC000423646310 437788860 /nfs/dbraw/zinc/78/88/60/437788860.db2.gz LSTWLASNTWARRG-AWEZNQCLSA-N 1 0 334.376 0.545 20 5 ECBDRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000415361095 437791036 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20 5 ECBDRO CNC(=O)N[C@H]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000342349897 438006549 /nfs/dbraw/zinc/00/65/49/438006549.db2.gz BSVJHIMIHJUBQE-PWSUYJOCSA-N 1 0 335.364 0.925 20 5 ECBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)n1 ZINC000427614161 438082904 /nfs/dbraw/zinc/08/29/04/438082904.db2.gz VVPWPWGUWDAAQM-LBPRGKRZSA-N 1 0 339.396 0.634 20 5 ECBDRO C[C@H](CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000357865762 438087102 /nfs/dbraw/zinc/08/71/02/438087102.db2.gz SOEUGMOUYUAJJP-SNVBAGLBSA-N 1 0 336.348 0.387 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCC2([NH+]3CCCC3)CCOCC2)n1 ZINC000357915288 438098235 /nfs/dbraw/zinc/09/82/35/438098235.db2.gz TVWNEKJWAONBTK-UHFFFAOYSA-N 1 0 337.380 0.703 20 5 ECBDRO O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000372324399 438070195 /nfs/dbraw/zinc/07/01/95/438070195.db2.gz HDMHHHZEYUVZQP-KBPBESRZSA-N 1 0 335.360 0.972 20 5 ECBDRO C[C@@H](O)COC(=O)CC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000366653648 438110035 /nfs/dbraw/zinc/11/00/35/438110035.db2.gz MTBVYNMGEFIWKE-NEPJUHHUSA-N 1 0 326.353 0.742 20 5 ECBDRO CN(C(=O)CN1CC[C@H]2OCC(=O)N[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000366810010 438130356 /nfs/dbraw/zinc/13/03/56/438130356.db2.gz PRZADEAMOQVZDV-ZIAGYGMSSA-N 1 0 348.359 0.147 20 5 ECBDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000373547126 438156576 /nfs/dbraw/zinc/15/65/76/438156576.db2.gz RZMKVDUEIZZEPW-YQQAZPJKSA-N 1 0 333.388 0.747 20 5 ECBDRO CC1(C)CN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000418861669 438222018 /nfs/dbraw/zinc/22/20/18/438222018.db2.gz FFZVTOIDWPYQOI-UHFFFAOYSA-N 1 0 334.376 0.464 20 5 ECBDRO CC(C)([NH3+])CNC(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000418820073 438200340 /nfs/dbraw/zinc/20/03/40/438200340.db2.gz VIHURMSQRNLFBH-UHFFFAOYSA-N 1 0 342.783 0.760 20 5 ECBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000432522077 438201198 /nfs/dbraw/zinc/20/11/98/438201198.db2.gz BUXRUQBGSRORQP-BXUZGUMPSA-N 1 0 334.376 0.829 20 5 ECBDRO C[C@H]1CCN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000418921678 438249141 /nfs/dbraw/zinc/24/91/41/438249141.db2.gz JRVUXUVGNCZDEZ-GXTWGEPZSA-N 1 0 348.403 0.697 20 5 ECBDRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000352408383 438420292 /nfs/dbraw/zinc/42/02/92/438420292.db2.gz VAEHPRRMIXZTCC-WDEREUQCSA-N 1 0 331.398 0.241 20 5 ECBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000394098598 438444443 /nfs/dbraw/zinc/44/44/43/438444443.db2.gz ZGJJXFPMGXTYRY-NSHDSACASA-N 1 0 328.394 0.085 20 5 ECBDRO C[C@H](CCC[NH3+])NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000420451771 438409149 /nfs/dbraw/zinc/40/91/49/438409149.db2.gz ZSZKGQRZUGRAIX-SECBINFHSA-N 1 0 345.377 0.772 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCO[C@@]3(CCCOC3)C2)c1 ZINC000352361644 438412638 /nfs/dbraw/zinc/41/26/38/438412638.db2.gz LAOOVOIMYIBJNT-KBPBESRZSA-N 1 0 326.353 0.034 20 5 ECBDRO Cc1n[nH]c(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000438284165 438475034 /nfs/dbraw/zinc/47/50/34/438475034.db2.gz YGWDRKDYNDPOAK-GRYCIOLGSA-N 1 0 337.380 0.950 20 5 ECBDRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000408033846 438494160 /nfs/dbraw/zinc/49/41/60/438494160.db2.gz QGVUKLWMXQFWRD-MRXNPFEDSA-N 1 0 330.388 0.869 20 5 ECBDRO C[N@H+](CCCO)C1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000439160798 438500727 /nfs/dbraw/zinc/50/07/27/438500727.db2.gz VMBPGXGHQMHFBY-UHFFFAOYSA-N 1 0 336.392 0.977 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC[C@@H]2Cn2cccn2)c1 ZINC000369782039 438514522 /nfs/dbraw/zinc/51/45/22/438514522.db2.gz KZFPAZDMCSBARE-UKRRQHHQSA-N 1 0 334.380 0.903 20 5 ECBDRO O=C1CNC(=O)N1CCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440507036 438553831 /nfs/dbraw/zinc/55/38/31/438553831.db2.gz SHRQBJIDTRIONK-NSHDSACASA-N 1 0 348.363 0.418 20 5 ECBDRO C[C@@H]([NH3+])CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000442667201 438616478 /nfs/dbraw/zinc/61/64/78/438616478.db2.gz YONDADJJBHKUQQ-LLVKDONJSA-N 1 0 328.394 0.248 20 5 ECBDRO C[C@@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000422984470 438624968 /nfs/dbraw/zinc/62/49/68/438624968.db2.gz XWIOLUVIZBGZJE-NEPJUHHUSA-N 1 0 342.421 0.603 20 5 ECBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)/C=C/c3ccc(F)cc3[N+](=O)[O-])CCN2C1=O ZINC000493477797 438628257 /nfs/dbraw/zinc/62/82/57/438628257.db2.gz BGTHSDJMSLUFSU-WVSCJACDSA-N 1 0 348.334 0.518 20 5 ECBDRO C[NH2+]CCN(C)C(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000423101538 438638147 /nfs/dbraw/zinc/63/81/47/438638147.db2.gz NLLPFCUGQWUDLM-UHFFFAOYSA-N 1 0 334.376 0.764 20 5 ECBDRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000423581648 438691037 /nfs/dbraw/zinc/69/10/37/438691037.db2.gz VQBIJUPOEZXRER-NSHDSACASA-N 1 0 348.359 0.005 20 5 ECBDRO CCn1cc(S(=O)(=O)N(CC[NH+](C)C)C2CC2)c([N+](=O)[O-])n1 ZINC000414462376 438706910 /nfs/dbraw/zinc/70/69/10/438706910.db2.gz MAMYMYSRUTVVGN-UHFFFAOYSA-N 1 0 331.398 0.526 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H](CO)Cc2cccnc2)c1 ZINC000574813265 438721805 /nfs/dbraw/zinc/72/18/05/438721805.db2.gz WIJHMKLBRNQLBS-ZBFHGGJFSA-N 1 0 347.371 0.923 20 5 ECBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CNCCN1C ZINC000414974397 438725507 /nfs/dbraw/zinc/72/55/07/438725507.db2.gz KFFXETRAQNOCMB-WFASDCNBSA-N 1 0 335.408 0.805 20 5 ECBDRO CNc1nc(C(=O)NCC[N@H+](C)CCCOC)ccc1[N+](=O)[O-] ZINC000455746766 438752306 /nfs/dbraw/zinc/75/23/06/438752306.db2.gz AWJLLIFEOXDMSS-UHFFFAOYSA-N 1 0 325.369 0.730 20 5 ECBDRO CC[C@@H]1CN(CCNC(=O)c2ccc([N+](=O)[O-])c(NC)n2)CCO1 ZINC000456027279 438756644 /nfs/dbraw/zinc/75/66/44/438756644.db2.gz NVJXYBYLSSXGRP-LLVKDONJSA-N 1 0 337.380 0.872 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H](O)CCc2ccccc2)c1 ZINC000576108267 438768845 /nfs/dbraw/zinc/76/88/45/438768845.db2.gz UUDKSQAONWPMIE-CVEARBPZSA-N 1 0 334.376 0.736 20 5 ECBDRO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1c[nH]nc1[N+](=O)[O-] ZINC000577205157 438824118 /nfs/dbraw/zinc/82/41/18/438824118.db2.gz HLRWMUHLZNIMHP-OLZOCXBDSA-N 1 0 345.359 0.683 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000588866836 438845994 /nfs/dbraw/zinc/84/59/94/438845994.db2.gz ASRCILGDMWFTEE-LBPRGKRZSA-N 1 0 325.369 0.063 20 5 ECBDRO COC[C@H](O)CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000516182123 438897009 /nfs/dbraw/zinc/89/70/09/438897009.db2.gz JNGQETRJJMXCEQ-GFCCVEGCSA-N 1 0 332.378 0.356 20 5 ECBDRO C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000595984104 438908346 /nfs/dbraw/zinc/90/83/46/438908346.db2.gz UYFNWTAOPKSYOP-VHSXEESVSA-N 1 0 340.405 0.985 20 5 ECBDRO O=C(CCNC[C@H](O)C[NH+]1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000578132000 438899244 /nfs/dbraw/zinc/89/92/44/438899244.db2.gz IAQIJIBACDBKPG-ZDUSSCGKSA-N 1 0 336.392 0.970 20 5 ECBDRO O=C(NCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000578186471 438902745 /nfs/dbraw/zinc/90/27/45/438902745.db2.gz QUWYTGSFHHPIBH-LLVKDONJSA-N 1 0 339.377 0.233 20 5 ECBDRO NC(=O)c1ccnc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000589569682 438878129 /nfs/dbraw/zinc/87/81/29/438878129.db2.gz NLUJDOLLUJSQKZ-VXGBXAGGSA-N 1 0 335.364 0.124 20 5 ECBDRO COc1ccc(C(=O)N2CC(C[NH+]3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000590399600 438918440 /nfs/dbraw/zinc/91/84/40/438918440.db2.gz KHFCWTGECDGBPJ-UHFFFAOYSA-N 1 0 348.403 0.923 20 5 ECBDRO C[NH+](C)[C@@H](CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)C1CC1 ZINC000596116144 438926367 /nfs/dbraw/zinc/92/63/67/438926367.db2.gz YUPHZQOQGKSHDG-LBPRGKRZSA-N 1 0 328.394 0.994 20 5 ECBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596179900 438936471 /nfs/dbraw/zinc/93/64/71/438936471.db2.gz UYFYORSLENWNAR-UWVGGRQHSA-N 1 0 328.394 0.771 20 5 ECBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601651999 438949931 /nfs/dbraw/zinc/94/99/31/438949931.db2.gz ZOXLHDOIMKQOCL-SNVBAGLBSA-N 1 0 338.339 0.926 20 5 ECBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000596537892 438974049 /nfs/dbraw/zinc/97/40/49/438974049.db2.gz JHTAKDFVIXGICT-LBPRGKRZSA-N 1 0 335.364 0.124 20 5 ECBDRO CNC(=O)c1ccc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c([N+](=O)[O-])c1 ZINC000596537214 438974059 /nfs/dbraw/zinc/97/40/59/438974059.db2.gz CQYBRQSXGOFHDG-CQSZACIVSA-N 1 0 348.403 0.990 20 5 ECBDRO CN(CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC(F)(F)F ZINC000565770058 438974693 /nfs/dbraw/zinc/97/46/93/438974693.db2.gz DAPNVDIVAKVCAV-JTQLQIEISA-N 1 0 325.291 0.236 20 5 ECBDRO [NH3+][C@@H]1C[C@H]2CN(c3nccc4c3cccc4[N+](=O)[O-])CCN2C1=O ZINC000566020629 438998333 /nfs/dbraw/zinc/99/83/33/438998333.db2.gz YLTYWGBJLNMGRC-GXFFZTMASA-N 1 0 327.344 0.891 20 5 ECBDRO COc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000591304356 438999995 /nfs/dbraw/zinc/99/99/95/438999995.db2.gz FAUWICIJXCEEES-JQWIXIFHSA-N 1 0 348.359 0.752 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCn2cncn2)cc1 ZINC000566110200 439008687 /nfs/dbraw/zinc/00/86/87/439008687.db2.gz HBVAMEKLHYNYMR-UHFFFAOYSA-N 1 0 325.350 0.250 20 5 ECBDRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000591422730 439013447 /nfs/dbraw/zinc/01/34/47/439013447.db2.gz XMCVZIOZWIADAM-CYBMUJFWSA-N 1 0 332.360 0.333 20 5 ECBDRO Cn1cc(CN2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c([N+](=O)[O-])n1 ZINC000602485249 439098925 /nfs/dbraw/zinc/09/89/25/439098925.db2.gz QSRVEIPELFRXFW-CYBMUJFWSA-N 1 0 336.396 0.067 20 5 ECBDRO CC[NH2+]CCCNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000566915909 439099973 /nfs/dbraw/zinc/09/99/73/439099973.db2.gz UPPCQANEPSMZBC-UHFFFAOYSA-N 1 0 337.380 0.510 20 5 ECBDRO CN1CCN(C)[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602544204 439108806 /nfs/dbraw/zinc/10/88/06/439108806.db2.gz FTXOCOSRSIAPBN-INIZCTEOSA-N 1 0 348.451 0.794 20 5 ECBDRO CN1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000521216444 439110988 /nfs/dbraw/zinc/11/09/88/439110988.db2.gz NKZJSHHZQGCIKF-ZDUSSCGKSA-N 1 0 337.380 0.258 20 5 ECBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000566728427 439083783 /nfs/dbraw/zinc/08/37/83/439083783.db2.gz VACMTPRNPMJCIQ-JSGCOSHPSA-N 1 0 334.376 0.845 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2ccc3c(c2)CCO3)c1 ZINC000566733129 439083865 /nfs/dbraw/zinc/08/38/65/439083865.db2.gz MPDUXQQOFRHFDM-OAHLLOKOSA-N 1 0 332.360 0.919 20 5 ECBDRO COC1([C@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCOCC1 ZINC000567693053 439167233 /nfs/dbraw/zinc/16/72/33/439167233.db2.gz JOMKIQDPXALHEF-AAEUAGOBSA-N 1 0 328.369 0.326 20 5 ECBDRO COc1cccc(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c1[N+](=O)[O-] ZINC000597623600 439139938 /nfs/dbraw/zinc/13/99/38/439139938.db2.gz BJZYTEAEMZPBKL-GFCCVEGCSA-N 1 0 334.376 0.723 20 5 ECBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@@H+]2C)n1 ZINC000597694200 439162332 /nfs/dbraw/zinc/16/23/32/439162332.db2.gz JUFFXHZZUGLBNF-AAEUAGOBSA-N 1 0 337.380 0.746 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2CC(C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000597709308 439163688 /nfs/dbraw/zinc/16/36/88/439163688.db2.gz UAFNYKJOGGPLTC-UHFFFAOYSA-N 1 0 334.376 0.653 20 5 ECBDRO Cc1nn(CCC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000592310025 439199285 /nfs/dbraw/zinc/19/92/85/439199285.db2.gz VEBLJWXXASJIOA-SKDRFNHKSA-N 1 0 325.369 0.373 20 5 ECBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000592309038 439200372 /nfs/dbraw/zinc/20/03/72/439200372.db2.gz QGQODZNQWKDQNM-LKFCYVNXSA-N 1 0 337.332 0.554 20 5 ECBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000592310759 439200787 /nfs/dbraw/zinc/20/07/87/439200787.db2.gz YMBAQVMOBLWPNH-ABAIWWIYSA-N 1 0 345.359 0.969 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)ccc1[N+](=O)[O-] ZINC000592337313 439208690 /nfs/dbraw/zinc/20/86/90/439208690.db2.gz DXDSJBCHBGJOCX-RYUDHWBXSA-N 1 0 338.339 0.449 20 5 ECBDRO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1[nH]ncc1[N+](=O)[O-] ZINC000597993157 439210231 /nfs/dbraw/zinc/21/02/31/439210231.db2.gz ZSZMIDFDMRTQSO-CYBMUJFWSA-N 1 0 345.359 0.815 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[C@H]1CC[NH2+]C1 ZINC000592368103 439211762 /nfs/dbraw/zinc/21/17/62/439211762.db2.gz LGJQDNLUDCDRIM-SNVBAGLBSA-N 1 0 329.378 0.881 20 5 ECBDRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000592375731 439214277 /nfs/dbraw/zinc/21/42/77/439214277.db2.gz WRSRFCPUJZUPDT-GWCFXTLKSA-N 1 0 329.378 0.473 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000592381475 439215287 /nfs/dbraw/zinc/21/52/87/439215287.db2.gz PHZDNXOUOMQWJD-MNOVXSKESA-N 1 0 341.389 0.976 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000592382797 439216274 /nfs/dbraw/zinc/21/62/74/439216274.db2.gz VYLISKANEINCJW-NXEZZACHSA-N 1 0 329.378 0.961 20 5 ECBDRO O=[N+]([O-])c1cc(F)c(Cn2cc(CN3CC[NH2+]CC3)nn2)c(F)c1 ZINC000603246761 439218533 /nfs/dbraw/zinc/21/85/33/439218533.db2.gz HDTFIYCRBCPBJM-UHFFFAOYSA-N 1 0 338.318 0.918 20 5 ECBDRO C[NH+](C)CCC[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000598539319 439277032 /nfs/dbraw/zinc/27/70/32/439277032.db2.gz HERCFIZEIUGHDH-AWEZNQCLSA-N 1 0 339.396 0.751 20 5 ECBDRO [NH3+][C@H]1C[C@H]2CN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000568783173 439280153 /nfs/dbraw/zinc/28/01/53/439280153.db2.gz OTCWTWQUCDCNAN-KBPBESRZSA-N 1 0 347.375 0.167 20 5 ECBDRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000598188472 439237607 /nfs/dbraw/zinc/23/76/07/439237607.db2.gz TXAGZMWXFNYYQO-UHFFFAOYSA-N 1 0 336.392 0.616 20 5 ECBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000592568529 439257294 /nfs/dbraw/zinc/25/72/94/439257294.db2.gz VWXUTRQGQDRCDD-DTWKUNHWSA-N 1 0 329.378 0.854 20 5 ECBDRO [NH3+]CC[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000598914027 439327078 /nfs/dbraw/zinc/32/70/78/439327078.db2.gz VPZVISKYXPXMPF-SECBINFHSA-N 1 0 334.254 0.929 20 5 ECBDRO COC[C@H]1C[C@@H](O)C[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000593067090 439336512 /nfs/dbraw/zinc/33/65/12/439336512.db2.gz STSSMLYGZWSPLB-UPJWGTAASA-N 1 0 326.349 0.416 20 5 ECBDRO CN1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000582061406 439286177 /nfs/dbraw/zinc/28/61/77/439286177.db2.gz QCEWLKPKSWVRKW-CYBMUJFWSA-N 1 0 344.375 0.495 20 5 ECBDRO C[C@@H]1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000598663674 439298211 /nfs/dbraw/zinc/29/82/11/439298211.db2.gz FTQKZOIRRVUPEC-MFKMUULPSA-N 1 0 335.364 0.912 20 5 ECBDRO C[NH2+]CCOCCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000599107874 439360492 /nfs/dbraw/zinc/36/04/92/439360492.db2.gz ONZNXLWQFZSAMU-UHFFFAOYSA-N 1 0 331.394 0.726 20 5 ECBDRO C[C@@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599106957 439360548 /nfs/dbraw/zinc/36/05/48/439360548.db2.gz JFVPOZNGHQQKLM-SKDRFNHKSA-N 1 0 331.398 0.514 20 5 ECBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCOCCC[NH3+])c1C ZINC000599110472 439361390 /nfs/dbraw/zinc/36/13/90/439361390.db2.gz SSQMKRAEUWNDNW-UHFFFAOYSA-N 1 0 331.394 0.855 20 5 ECBDRO [NH3+]CCCOCCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000599110033 439361836 /nfs/dbraw/zinc/36/18/36/439361836.db2.gz COWSZIXHKMNDQS-UHFFFAOYSA-N 1 0 337.785 0.892 20 5 ECBDRO CCn1cc(S(=O)(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c([N+](=O)[O-])n1 ZINC000599110608 439362017 /nfs/dbraw/zinc/36/20/17/439362017.db2.gz CEIGOKFCUSMTKX-BETUJISGSA-N 1 0 343.409 0.431 20 5 ECBDRO COc1ccc(S(=O)(=O)NCCOCCC[NH3+])cc1[N+](=O)[O-] ZINC000599110241 439362277 /nfs/dbraw/zinc/36/22/77/439362277.db2.gz MPIZTULPFHNFSH-UHFFFAOYSA-N 1 0 333.366 0.247 20 5 ECBDRO Cc1ccc(S(=O)(=O)NCC2([NH3+])CCOCC2)cc1[N+](=O)[O-] ZINC000599105263 439358171 /nfs/dbraw/zinc/35/81/71/439358171.db2.gz YEGYSRSICCBIQU-UHFFFAOYSA-N 1 0 329.378 0.689 20 5 ECBDRO C[NH2+]CCOCCNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000599106274 439358490 /nfs/dbraw/zinc/35/84/90/439358490.db2.gz DKFBBCAAIZIBAW-UHFFFAOYSA-N 1 0 331.394 0.726 20 5 ECBDRO CC[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000599180372 439373498 /nfs/dbraw/zinc/37/34/98/439373498.db2.gz MLYRMUPVCDIGPR-VHSXEESVSA-N 1 0 328.394 0.819 20 5 ECBDRO C[C@@H](C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000582735954 439374599 /nfs/dbraw/zinc/37/45/99/439374599.db2.gz PIJFAOKHLFEVPP-NEPJUHHUSA-N 1 0 336.392 0.881 20 5 ECBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599245640 439398151 /nfs/dbraw/zinc/39/81/51/439398151.db2.gz VOOVPKPQBRFCNG-ZJUUUORDSA-N 1 0 331.398 0.289 20 5 ECBDRO COc1cc(N2CCN(CC[NH+](C)C)C(=O)C2)c(F)cc1[N+](=O)[O-] ZINC000593485700 439387796 /nfs/dbraw/zinc/38/77/96/439387796.db2.gz BFUYGXXMUOYZDN-UHFFFAOYSA-N 1 0 340.355 0.953 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H](O)C2CCOCC2)c1 ZINC000570396909 439416563 /nfs/dbraw/zinc/41/65/63/439416563.db2.gz XUBOTPBKMKYIBK-ZBFHGGJFSA-N 1 0 340.376 0.712 20 5 ECBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599288322 439417914 /nfs/dbraw/zinc/41/79/14/439417914.db2.gz RFMUFDIJXHNQGP-WDEREUQCSA-N 1 0 345.425 0.727 20 5 ECBDRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599329294 439435354 /nfs/dbraw/zinc/43/53/54/439435354.db2.gz HJKZAWJHCIDHJS-JTQLQIEISA-N 1 0 331.398 0.432 20 5 ECBDRO CCn1cc(S(=O)(=O)NC[C@@H]2CCCC[N@H+](C)C2)c([N+](=O)[O-])n1 ZINC000599414487 439460991 /nfs/dbraw/zinc/46/09/91/439460991.db2.gz FIRMGSAFTOGQPR-NSHDSACASA-N 1 0 345.425 0.821 20 5 ECBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC(N2CC[C@@H](O)C2)C1 ZINC000593853023 439476912 /nfs/dbraw/zinc/47/69/12/439476912.db2.gz ANTKFGXOICXMAL-SNVBAGLBSA-N 1 0 335.316 0.215 20 5 ECBDRO C[C@@H]1CN(CCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000583603188 439485694 /nfs/dbraw/zinc/48/56/94/439485694.db2.gz KHLDJMUSZHPRIF-GUTXKFCHSA-N 1 0 341.412 0.241 20 5 ECBDRO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599644587 439526036 /nfs/dbraw/zinc/52/60/36/439526036.db2.gz KPWVWKZWBURZKA-BJHJDKERSA-N 1 0 332.360 0.680 20 5 ECBDRO Cc1c(NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000594316203 439541601 /nfs/dbraw/zinc/54/16/01/439541601.db2.gz JPEOAAPGZLAAOS-NWDGAFQWSA-N 1 0 348.359 0.119 20 5 ECBDRO CNc1nccc(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000594372670 439549199 /nfs/dbraw/zinc/54/91/99/439549199.db2.gz WQPHJXSYGIDVSI-UHFFFAOYSA-N 1 0 349.391 0.968 20 5 ECBDRO CN(CC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000594393814 439554647 /nfs/dbraw/zinc/55/46/47/439554647.db2.gz RAKGLUBNFVCBMV-QWHCGFSZSA-N 1 0 334.376 0.308 20 5 ECBDRO CN(C)[C@@]1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCSC1 ZINC000572952695 439618760 /nfs/dbraw/zinc/61/87/60/439618760.db2.gz DYWQKQQWFHENKW-QWHCGFSZSA-N 1 0 329.426 0.179 20 5 ECBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000599938027 439578690 /nfs/dbraw/zinc/57/86/90/439578690.db2.gz KOYNKXOLQKJXCX-QWHCGFSZSA-N 1 0 335.360 0.641 20 5 ECBDRO [NH3+]C[C@H]1CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000584351899 439581377 /nfs/dbraw/zinc/58/13/77/439581377.db2.gz WDASXFGSCJFZRO-AWEZNQCLSA-N 1 0 348.403 0.997 20 5 ECBDRO CC(C)NC(=O)c1ccc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000594603010 439582482 /nfs/dbraw/zinc/58/24/82/439582482.db2.gz HCHWYJFPRHUIPT-UONOGXRCSA-N 1 0 348.403 0.988 20 5 ECBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000599988499 439589875 /nfs/dbraw/zinc/58/98/75/439589875.db2.gz FVYRVICTVRCFCR-NHAGDIPZSA-N 1 0 332.360 0.343 20 5 ECBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610265105 439608115 /nfs/dbraw/zinc/60/81/15/439608115.db2.gz PFTAFYDIZHYHQJ-WDEREUQCSA-N 1 0 328.394 0.951 20 5 ECBDRO CCc1n[nH]c(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000610913469 439657750 /nfs/dbraw/zinc/65/77/50/439657750.db2.gz YKMROIVCNGLLLK-NSHDSACASA-N 1 0 337.380 0.863 20 5 ECBDRO CC[N@@H+]1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C[C@H]1C ZINC000611084779 439671760 /nfs/dbraw/zinc/67/17/60/439671760.db2.gz SHSNMLVCLALCQH-SNVBAGLBSA-N 1 0 328.394 0.773 20 5 ECBDRO COC[C@@H](CCO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000574572523 439713831 /nfs/dbraw/zinc/71/38/31/439713831.db2.gz YIBNRWLZLVNMRN-LLVKDONJSA-N 1 0 332.378 0.356 20 5 ECBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000600532614 439674716 /nfs/dbraw/zinc/67/47/16/439674716.db2.gz NYVBLYCVQWYDQG-OAHLLOKOSA-N 1 0 345.359 0.577 20 5 ECBDRO COc1ccc(NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000595231228 439676897 /nfs/dbraw/zinc/67/68/97/439676897.db2.gz NYELLBAHGRZGQK-GHMZBOCLSA-N 1 0 349.347 0.379 20 5 ECBDRO CC(C)[NH2+]CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000595253082 439682436 /nfs/dbraw/zinc/68/24/36/439682436.db2.gz MDJRKWYKYSTKRP-UHFFFAOYSA-N 1 0 334.376 0.877 20 5 ECBDRO C[NH2+]C[C@H](C)NC(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595276509 439688185 /nfs/dbraw/zinc/68/81/85/439688185.db2.gz OVYDPIYSAAYSPW-VIFPVBQESA-N 1 0 342.783 0.631 20 5 ECBDRO O=C(N1CC[NH2+]CC1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000600714945 439693844 /nfs/dbraw/zinc/69/38/44/439693844.db2.gz VXMAVFIZMYLPEU-UHFFFAOYSA-N 1 0 333.392 0.738 20 5 ECBDRO Cn1ccnc1[C@@H](NC[C@@H]1COCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000600710370 439694264 /nfs/dbraw/zinc/69/42/64/439694264.db2.gz NNSJXLGRMFZCTL-HIFRSBDPSA-N 1 0 331.376 0.996 20 5 ECBDRO CC(C)[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)N1CCCC1 ZINC000611395357 439694403 /nfs/dbraw/zinc/69/44/03/439694403.db2.gz HOTZQJPFMPBOIT-KGLIPLIRSA-N 1 0 339.396 0.389 20 5 ECBDRO C[C@@]1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)COc2ccccc2O1 ZINC000600743461 439697071 /nfs/dbraw/zinc/69/70/71/439697071.db2.gz CFJBGKQLTKLNSJ-CZUORRHYSA-N 1 0 348.359 0.972 20 5 ECBDRO C[NH+]1CC2(C1)CCN(C(=O)c1cn(-c3cccc([N+](=O)[O-])c3)nn1)C2 ZINC000618920852 440179329 /nfs/dbraw/zinc/17/93/29/440179329.db2.gz BRVQKJUHDPYKRR-UHFFFAOYSA-N 1 0 342.359 0.953 20 5 ECBDRO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000249285492 320545521 /nfs/dbraw/zinc/54/55/21/320545521.db2.gz PGLNLUUPCLVPMB-YNEHKIRRSA-N 1 0 337.376 0.968 20 5 ECBDRO CNC(=O)N[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000342373004 321087248 /nfs/dbraw/zinc/08/72/48/321087248.db2.gz VSJIBZWCMWPLDY-NEPJUHHUSA-N 1 0 338.364 0.338 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCC[NH+]1CCC(O)CC1 ZINC000345540606 321192233 /nfs/dbraw/zinc/19/22/33/321192233.db2.gz MKPDMFDRQCMMRU-UHFFFAOYSA-N 1 0 339.396 0.453 20 5 ECBDRO NC(=O)CCC1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000347949626 321258160 /nfs/dbraw/zinc/25/81/60/321258160.db2.gz OAABHBGXRSKXLN-CYBMUJFWSA-N 1 0 325.369 0.130 20 5 ECBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000349521559 321307672 /nfs/dbraw/zinc/30/76/72/321307672.db2.gz ZTVAOAVJYSVQRZ-NSHDSACASA-N 1 0 334.336 0.733 20 5 ECBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352519486 321363324 /nfs/dbraw/zinc/36/33/24/321363324.db2.gz OZPINFLJOUWGOU-CJNGLKHVSA-N 1 0 347.419 0.901 20 5 ECBDRO COc1cc(C[NH+]2CCC3(CC2)NC(=O)NC3=O)ccc1[N+](=O)[O-] ZINC000352777314 321371521 /nfs/dbraw/zinc/37/15/21/321371521.db2.gz GTCOVJVBOBLKPK-UHFFFAOYSA-N 1 0 334.332 0.777 20 5 ECBDRO CCn1cc(S(=O)(=O)NCC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])n1 ZINC000353215251 321385505 /nfs/dbraw/zinc/38/55/05/321385505.db2.gz HUIBGXHINZDEQU-SNVBAGLBSA-N 1 0 331.398 0.479 20 5 ECBDRO O=C(NCC(=O)N1C[C@@H]2C[NH2+]C[C@H]2C1)NCc1ccc([N+](=O)[O-])cc1 ZINC000359383522 321596524 /nfs/dbraw/zinc/59/65/24/321596524.db2.gz RWSFEDXRFIZBMK-STQMWFEESA-N 1 0 347.375 0.072 20 5 ECBDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000532790670 322061339 /nfs/dbraw/zinc/06/13/39/322061339.db2.gz AVHOJWBMQCCIDS-CQSZACIVSA-N 1 0 325.321 0.366 20 5 ECBDRO O=C1C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CN1c1ccccc1 ZINC000562987466 322291478 /nfs/dbraw/zinc/29/14/78/322291478.db2.gz RKCSMWZCTXSBQU-SWLSCSKDSA-N 1 0 345.359 0.547 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCN2CCSCC2)c1 ZINC000562993687 322291930 /nfs/dbraw/zinc/29/19/30/322291930.db2.gz LXWMBYTUMHSMSA-CQSZACIVSA-N 1 0 341.433 0.973 20 5 ECBDRO C[S@](=O)C1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000563002974 322292356 /nfs/dbraw/zinc/29/23/56/322292356.db2.gz MGZOHQLQOKZSBJ-XFNZEKPQSA-N 1 0 328.390 0.835 20 5 ECBDRO COC(=O)c1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000563710398 322340187 /nfs/dbraw/zinc/34/01/87/322340187.db2.gz ZZRRJXXYWMDQHG-JTQLQIEISA-N 1 0 340.361 0.790 20 5 ECBDRO CCCN1C[C@@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O ZINC000566119272 322503487 /nfs/dbraw/zinc/50/34/87/322503487.db2.gz WKFNLZZSLAPOPD-DGCLKSJQSA-N 1 0 325.369 0.000 20 5 ECBDRO Cc1cc(S(=O)(=O)N2CCO[C@H](C[NH3+])C2)c(C)cc1[N+](=O)[O-] ZINC000567916327 322606305 /nfs/dbraw/zinc/60/63/05/322606305.db2.gz RLJDPVHVJSBTOC-LLVKDONJSA-N 1 0 329.378 0.560 20 5 ECBDRO Cc1cccc(C[C@H](CO)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000572762803 322750761 /nfs/dbraw/zinc/75/07/61/322750761.db2.gz FWHFZFJMOJLZLP-GDBMZVCRSA-N 1 0 334.376 0.654 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000574271701 322776379 /nfs/dbraw/zinc/77/63/79/322776379.db2.gz YDGCNLYFOVRXBV-NEPJUHHUSA-N 1 0 344.389 0.501 20 5 ECBDRO C[C@@H]1OCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000178683817 534197871 /nfs/dbraw/zinc/19/78/71/534197871.db2.gz JYBPHYLIBLYVAP-GXFFZTMASA-N 1 0 329.378 0.640 20 5 ECBDRO NC(=O)C[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181940073 534360089 /nfs/dbraw/zinc/36/00/89/534360089.db2.gz HBRAQHCPSXDJSP-OLZOCXBDSA-N 1 0 337.376 0.922 20 5 ECBDRO NC(=O)[C@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000131154906 534446636 /nfs/dbraw/zinc/44/66/36/534446636.db2.gz NPOUYGHVJSRSQS-AEGPPILISA-N 1 0 337.376 0.968 20 5 ECBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000129211723 534480558 /nfs/dbraw/zinc/48/05/58/534480558.db2.gz OBMQFURFZRGHFQ-CYBMUJFWSA-N 1 0 348.403 0.848 20 5 ECBDRO CC[N@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000183932957 528546140 /nfs/dbraw/zinc/54/61/40/528546140.db2.gz POGHUQWCEDNNGC-UHFFFAOYSA-N 1 0 340.336 0.855 20 5 ECBDRO CC[N@H+](CCO)CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000183980728 528550719 /nfs/dbraw/zinc/55/07/19/528550719.db2.gz WZSITVAUCGXASF-UHFFFAOYSA-N 1 0 347.375 0.825 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000619253668 546311917 /nfs/dbraw/zinc/31/19/17/546311917.db2.gz BNPOUOXHKRISQU-OAHLLOKOSA-N 1 0 339.396 0.405 20 5 ECBDRO COc1cc(C[NH2+]C2CC(NS(C)(=O)=O)C2)c([N+](=O)[O-])cc1O ZINC000619747925 546366092 /nfs/dbraw/zinc/36/60/92/546366092.db2.gz CJZNRZVRZYDQLF-UHFFFAOYSA-N 1 0 345.377 0.479 20 5 ECBDRO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NCCC[NH+](C)C ZINC000734119870 578352969 /nfs/dbraw/zinc/35/29/69/578352969.db2.gz HXUMDUVHTPXJPO-UHFFFAOYSA-N 1 0 339.348 0.863 20 5 ECBDRO COCC[NH+](CCOC)C1CCN(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000795715594 578619403 /nfs/dbraw/zinc/61/94/03/578619403.db2.gz DIRAKJPLVPXFBE-UHFFFAOYSA-N 1 0 341.412 0.808 20 5 ECBDRO C[NH+](C)CCCOC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000791792707 578892796 /nfs/dbraw/zinc/89/27/96/578892796.db2.gz HHOCVNOHNICQDD-UHFFFAOYSA-N 1 0 338.364 0.889 20 5 ECBDRO Cc1nn(CCC(=O)NOC2CC[NH+](C)CC2)c(C)c1[N+](=O)[O-] ZINC000773552129 579229822 /nfs/dbraw/zinc/22/98/22/579229822.db2.gz UWYFKNYRDXWIRV-UHFFFAOYSA-N 1 0 325.369 0.940 20 5 ECBDRO CCS(=O)(=O)N(C)CCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776276408 579279508 /nfs/dbraw/zinc/27/95/08/579279508.db2.gz JNKCNWFHNDBDHZ-AWEZNQCLSA-N 1 0 345.421 0.889 20 5 ECBDRO Cc1ccc(CNC(=O)NCCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000891968086 586209583 /nfs/dbraw/zinc/20/95/83/586209583.db2.gz FTNORWLGLHAGII-UHFFFAOYSA-N 1 0 335.408 0.998 20 5 ECBDRO COc1cccc([C@H](O)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000843069652 589049129 /nfs/dbraw/zinc/04/91/29/589049129.db2.gz UDIYZAOSBXDPCF-UKRRQHHQSA-N 1 0 336.348 0.484 20 5 ECBDRO O=C(Cc1noc([C@]2(F)CC[NH2+]C2)n1)NCc1ccc([N+](=O)[O-])cc1 ZINC000843223608 589054866 /nfs/dbraw/zinc/05/48/66/589054866.db2.gz DRAPZPWPPIRPJD-HNNXBMFYSA-N 1 0 349.322 0.995 20 5 ECBDRO [NH3+][C@H]1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000843346732 589062744 /nfs/dbraw/zinc/06/27/44/589062744.db2.gz VGSZFWJUXAVJOL-ZDUSSCGKSA-N 1 0 333.392 0.276 20 5 ECBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000843356860 589063527 /nfs/dbraw/zinc/06/35/27/589063527.db2.gz FHKSBLAAEDSAOO-RNCFNFMXSA-N 1 0 338.320 1.000 20 5 ECBDRO [NH3+]C[C@@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000843367332 589064050 /nfs/dbraw/zinc/06/40/50/589064050.db2.gz BPHYIMYDYGYKPB-SNVBAGLBSA-N 1 0 328.756 0.846 20 5 ECBDRO O=[N+]([O-])CC[NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000905074987 586869799 /nfs/dbraw/zinc/86/97/99/586869799.db2.gz HPEFFOOSNUZXHR-UHFFFAOYSA-N 1 0 327.406 0.954 20 5 ECBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000808222026 587149815 /nfs/dbraw/zinc/14/98/15/587149815.db2.gz JKJJKJOGYXMRMO-VIFPVBQESA-N 1 0 326.328 0.503 20 5 ECBDRO CS(=O)(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818976635 587463121 /nfs/dbraw/zinc/46/31/21/587463121.db2.gz LHQVNRBUIWQAOO-TZMCWYRMSA-N 1 0 343.405 0.642 20 5 ECBDRO COc1c(C)cnc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1C ZINC000818988425 587463293 /nfs/dbraw/zinc/46/32/93/587463293.db2.gz PDJSNYNHEFNQDE-CYBMUJFWSA-N 1 0 335.364 0.962 20 5 ECBDRO CS(=O)(=O)NC1CC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819295801 587475426 /nfs/dbraw/zinc/47/54/26/587475426.db2.gz SKDUHKHBPBAGSE-GCZXYKMCSA-N 1 0 329.378 0.298 20 5 ECBDRO 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ZINC000447919540 211217480 /nfs/dbraw/zinc/21/74/80/211217480.db2.gz FHKBOUMHULZVPM-HIFRSBDPSA-N 1 0 335.360 0.613 20 5 ECBDRO CN(C)S(=O)(=O)c1ccc(N(C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000357128955 299523652 /nfs/dbraw/zinc/52/36/52/299523652.db2.gz REZBIAROMOZJAP-UHFFFAOYSA-N 1 0 330.410 0.843 20 5 ECBDRO COC[C@]1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCC[NH2+]1 ZINC000357276878 299554078 /nfs/dbraw/zinc/55/40/78/299554078.db2.gz VKOSIMYZPIJVNF-CQSZACIVSA-N 1 0 326.328 0.815 20 5 ECBDRO C[NH2+][C@H]1CCCN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000133002196 533022855 /nfs/dbraw/zinc/02/28/55/533022855.db2.gz QKGMHPHNPZJFSL-YPMHNXCESA-N 1 0 334.376 0.924 20 5 ECBDRO C[NH2+]C[C@H]1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000430940390 210415164 /nfs/dbraw/zinc/41/51/64/210415164.db2.gz OZWGTWXZYFDWEW-SNVBAGLBSA-N 1 0 336.348 0.803 20 5 ECBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415813757 208582281 /nfs/dbraw/zinc/58/22/81/208582281.db2.gz GYHNJZWENKUPMY-RISCZKNCSA-N 1 0 332.360 0.916 20 5 ECBDRO CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000429181320 210303417 /nfs/dbraw/zinc/30/34/17/210303417.db2.gz ABYAWTIERQPTGB-QWRGUYRKSA-N 1 0 338.364 0.892 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000415872706 208593302 /nfs/dbraw/zinc/59/33/02/208593302.db2.gz SWHOJDJHWWDCJT-QWRGUYRKSA-N 1 0 348.359 0.610 20 5 ECBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000415890580 208594201 /nfs/dbraw/zinc/59/42/01/208594201.db2.gz IFVVRIYMZQTBRK-UWVGGRQHSA-N 1 0 336.323 0.740 20 5 ECBDRO C[C@H](NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000419149750 209001608 /nfs/dbraw/zinc/00/16/08/209001608.db2.gz LLTJULAGKVBDDC-SDDRHHMPSA-N 1 0 334.376 0.968 20 5 ECBDRO COC(=O)Nc1ccc(S(=O)(=O)N(C)[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000496930954 255143278 /nfs/dbraw/zinc/14/32/78/255143278.db2.gz OYAIPLPIIPDHKW-MRVPVSSYSA-N 1 0 346.365 0.741 20 5 ECBDRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000419162974 209007973 /nfs/dbraw/zinc/00/79/73/209007973.db2.gz IIOWTBRDOBQFFP-LLVKDONJSA-N 1 0 340.767 0.814 20 5 ECBDRO C[C@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000269174457 255539733 /nfs/dbraw/zinc/53/97/33/255539733.db2.gz AZZUKMZJRGBOIP-SMDDNHRTSA-N 1 0 334.376 0.910 20 5 ECBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCNC(=O)CC1 ZINC000117338904 221055867 /nfs/dbraw/zinc/05/58/67/221055867.db2.gz ZTQSNDJCTNQGGV-UHFFFAOYSA-N 1 0 334.332 0.715 20 5 ECBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000125807399 296655801 /nfs/dbraw/zinc/65/58/01/296655801.db2.gz ZCUQEOIEJKACEK-UHFFFAOYSA-N 1 0 332.364 0.777 20 5 ECBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000185293472 164971285 /nfs/dbraw/zinc/97/12/85/164971285.db2.gz AOCMSTWOETUMCU-LLVKDONJSA-N 1 0 325.369 0.659 20 5 ECBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2C[NH2+]CCO2)cc1C ZINC000261824861 165249690 /nfs/dbraw/zinc/24/96/90/165249690.db2.gz AWZLFSILYPGOQA-NSHDSACASA-N 1 0 329.378 0.478 20 5 ECBDRO O=C(N[C@H]1CCC[NH2+]C1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000262035281 165280216 /nfs/dbraw/zinc/28/02/16/165280216.db2.gz PYKFSYZOAMHEIZ-WDEREUQCSA-N 1 0 336.348 0.661 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000262321128 165328770 /nfs/dbraw/zinc/32/87/70/165328770.db2.gz RBEOFWJQMNLZJX-VHSXEESVSA-N 1 0 329.378 0.961 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)s1 ZINC000262340761 165333344 /nfs/dbraw/zinc/33/33/44/165333344.db2.gz STFOMBDBNSVETF-JTQLQIEISA-N 1 0 346.434 0.325 20 5 ECBDRO CNS(=O)(=O)c1ccc(N2CC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000301244636 296884217 /nfs/dbraw/zinc/88/42/17/296884217.db2.gz HDYJWVMUWCJBJI-LLVKDONJSA-N 1 0 342.421 0.891 20 5 ECBDRO C[C@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)N1CC[NH+](C)CC1 ZINC000301685602 296890036 /nfs/dbraw/zinc/89/00/36/296890036.db2.gz LJULDEIIMWHDBN-LLVKDONJSA-N 1 0 349.391 0.974 20 5 ECBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000301717750 296890061 /nfs/dbraw/zinc/89/00/61/296890061.db2.gz LASMDTZBFFNJFO-NSHDSACASA-N 1 0 335.364 0.754 20 5 ECBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160177180 225354725 /nfs/dbraw/zinc/35/47/25/225354725.db2.gz KIMPFWXCMPCJEG-AWEZNQCLSA-N 1 0 337.376 0.937 20 5 ECBDRO [NH3+][C@H]1CCCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000262178414 263176911 /nfs/dbraw/zinc/17/69/11/263176911.db2.gz GEZVMBJFXQTBJR-JTQLQIEISA-N 1 0 334.332 0.270 20 5 ECBDRO C[C@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000269646172 263194445 /nfs/dbraw/zinc/19/44/45/263194445.db2.gz SNXCONJBDQHCQX-QWHCGFSZSA-N 1 0 336.392 0.993 20 5 ECBDRO COc1cc(C(=O)NC[C@](C)(O)C[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000269875841 263209974 /nfs/dbraw/zinc/20/99/74/263209974.db2.gz GZKVJNPHEFBBIJ-HNNXBMFYSA-N 1 0 341.364 0.654 20 5 ECBDRO CC(C)[NH+]1CCN(C2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)CC1 ZINC000270475303 263245291 /nfs/dbraw/zinc/24/52/91/263245291.db2.gz OBBWGTFYXGLUIL-UHFFFAOYSA-N 1 0 349.439 0.962 20 5 ECBDRO C[C@@H]1C[NH+](CCCCNC(=O)c2[nH]ncc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000270795307 263273319 /nfs/dbraw/zinc/27/33/19/263273319.db2.gz MRZDDZZWMZQYGS-GHMZBOCLSA-N 1 0 325.369 0.937 20 5 ECBDRO C[N@H+]1CC=C(CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000271765025 263328721 /nfs/dbraw/zinc/32/87/21/263328721.db2.gz ABKBYSHMQPBTCG-UHFFFAOYSA-N 1 0 332.360 0.703 20 5 ECBDRO [NH3+][C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCOCC1 ZINC000282227270 264027712 /nfs/dbraw/zinc/02/77/12/264027712.db2.gz BLBIUUDINQOYOA-INIZCTEOSA-N 1 0 348.403 0.997 20 5 ECBDRO COC(=O)[C@]1(C)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000282838188 264064414 /nfs/dbraw/zinc/06/44/14/264064414.db2.gz SPOJJLLOMTUOJL-SCDSUCTJSA-N 1 0 326.353 0.283 20 5 ECBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000293445138 264883064 /nfs/dbraw/zinc/88/30/64/264883064.db2.gz PCOBFPITWHYFAR-HIFRSBDPSA-N 1 0 346.387 0.925 20 5 ECBDRO Cc1nn(C)c(C(=O)N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)c1[N+](=O)[O-] ZINC000294524042 265002203 /nfs/dbraw/zinc/00/22/03/265002203.db2.gz FIUZOMFORVIIRU-GHMZBOCLSA-N 1 0 325.369 0.164 20 5 ECBDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000419152167 277026816 /nfs/dbraw/zinc/02/68/16/277026816.db2.gz OEQIOEZMIWATSO-RYUDHWBXSA-N 1 0 334.376 0.982 20 5 ECBDRO CC(C)(C)[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1O ZINC000330714907 437597471 /nfs/dbraw/zinc/59/74/71/437597471.db2.gz SNCFVPFQHBSALB-BFHYXJOUSA-N 1 0 326.397 0.881 20 5 ECBDRO [NH3+]C[C@H](NC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)C1CC1 ZINC000418397067 279646063 /nfs/dbraw/zinc/64/60/63/279646063.db2.gz ISEAWQZVWITBQB-LBPRGKRZSA-N 1 0 334.380 0.559 20 5 ECBDRO Cc1cc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000264584226 280348779 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348.812 0.430 20 5 ECBDRO C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440333068 438544977 /nfs/dbraw/zinc/54/49/77/438544977.db2.gz BMQSDZNSRGQLTO-UHFFFAOYSA-N 1 0 338.183 0.855 20 5 ECBDRO COc1cc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)ccc1[N+](=O)[O-] ZINC000370173827 438557714 /nfs/dbraw/zinc/55/77/14/438557714.db2.gz OSWXZTPJAZAXJJ-JQWIXIFHSA-N 1 0 341.389 0.976 20 5 ECBDRO C[C@H]([NH3+])CN1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000442659066 438616558 /nfs/dbraw/zinc/61/65/58/438616558.db2.gz KDYKXFXPSSVIIV-NSHDSACASA-N 1 0 342.421 0.468 20 5 ECBDRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000423094599 438637000 /nfs/dbraw/zinc/63/70/00/438637000.db2.gz CBXVFOQANKSBOV-ZDUSSCGKSA-N 1 0 334.376 0.764 20 5 ECBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000423110769 438639711 /nfs/dbraw/zinc/63/97/11/438639711.db2.gz VUUDZCNWGVUFDW-OKILXGFUSA-N 1 0 346.387 0.906 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000457367133 438805049 /nfs/dbraw/zinc/80/50/49/438805049.db2.gz DUHFCGUYCQLIDL-ZIAGYGMSSA-N 1 0 346.387 0.701 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H](O)CCc2ccccc2)c1 ZINC000576108268 438769328 /nfs/dbraw/zinc/76/93/28/438769328.db2.gz UUDKSQAONWPMIE-HOTGVXAUSA-N 1 0 334.376 0.736 20 5 ECBDRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595630951 438836935 /nfs/dbraw/zinc/83/69/35/438836935.db2.gz DMEQLQMZIRKXIQ-ZGKBOVNRSA-N 1 0 342.396 0.308 20 5 ECBDRO COC(=O)C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000595663035 438843598 /nfs/dbraw/zinc/84/35/98/438843598.db2.gz GIYHINPEWGIRNX-AWEZNQCLSA-N 1 0 340.380 0.960 20 5 ECBDRO C[NH+](C)C[C@H](CO)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000588866232 438845893 /nfs/dbraw/zinc/84/58/93/438845893.db2.gz IPBOYPBLRVUQPB-LLVKDONJSA-N 1 0 333.348 0.433 20 5 ECBDRO CS(=O)(=O)C1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000577603591 438855149 /nfs/dbraw/zinc/85/51/49/438855149.db2.gz OCBBGWCRNWANGY-GFCCVEGCSA-N 1 0 344.389 0.501 20 5 ECBDRO CS(=O)(=O)c1cc(C(=O)NCC23CC(C2)C[NH2+]3)cc([N+](=O)[O-])c1 ZINC000595950031 438896632 /nfs/dbraw/zinc/89/66/32/438896632.db2.gz IOQRPKJOKRFELW-UHFFFAOYSA-N 1 0 339.373 0.480 20 5 ECBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000595955499 438900868 /nfs/dbraw/zinc/90/08/68/438900868.db2.gz FNWOBDACVNMUQK-NSHDSACASA-N 1 0 348.367 0.127 20 5 ECBDRO [NH3+]C[C@@H](NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000577833255 438874534 /nfs/dbraw/zinc/87/45/34/438874534.db2.gz ITTXSGXGNCHPQB-CQSZACIVSA-N 1 0 334.376 0.845 20 5 ECBDRO Cn1c2cc([N+](=O)[O-])c(N3CCC([NH2+]CCO)CC3)cc2n(C)c1=O ZINC000589586929 438878487 /nfs/dbraw/zinc/87/84/87/438878487.db2.gz SLJLNUBEBSXKKJ-UHFFFAOYSA-N 1 0 349.391 0.336 20 5 ECBDRO CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595923633 438886478 /nfs/dbraw/zinc/88/64/78/438886478.db2.gz ARNVHACMQAZSEO-AAEUAGOBSA-N 1 0 337.380 0.755 20 5 ECBDRO [NH3+]C[C@H]1OCC[C@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000595944120 438892879 /nfs/dbraw/zinc/89/28/79/438892879.db2.gz VEXJCPMSOSEZEA-HUUCEWRRSA-N 1 0 334.376 0.607 20 5 ECBDRO COc1cc(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)cc([N+](=O)[O-])c1C ZINC000595946886 438893478 /nfs/dbraw/zinc/89/34/78/438893478.db2.gz JUIJFQHWTXTFHX-UHFFFAOYSA-N 1 0 347.331 0.796 20 5 ECBDRO CN1CC[NH+](CC2CN(C(=O)Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000590399635 438918420 /nfs/dbraw/zinc/91/84/20/438918420.db2.gz LRHMZAZYRNOYDG-UHFFFAOYSA-N 1 0 332.404 0.843 20 5 ECBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000590402225 438919293 /nfs/dbraw/zinc/91/92/93/438919293.db2.gz AXHZIQPJJKYKGV-SMDDNHRTSA-N 1 0 334.376 0.876 20 5 ECBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCOC2(C[NH2+]C2)C1 ZINC000596097280 438924306 /nfs/dbraw/zinc/92/43/06/438924306.db2.gz DJZCALXCXMRGFZ-UHFFFAOYSA-N 1 0 334.376 0.988 20 5 ECBDRO NC(=O)c1cc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000596111624 438926674 /nfs/dbraw/zinc/92/66/74/438926674.db2.gz AJUORFJYIVBHDQ-HUUCEWRRSA-N 1 0 334.376 0.729 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000578859569 438959032 /nfs/dbraw/zinc/95/90/32/438959032.db2.gz DRMYZUFWPUGTAU-UHFFFAOYSA-N 1 0 344.389 0.633 20 5 ECBDRO C[NH+](C)CCC[C@H]1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])CCO1 ZINC000596565934 438977590 /nfs/dbraw/zinc/97/75/90/438977590.db2.gz IJYGLNUBFXEXLO-NSHDSACASA-N 1 0 337.380 0.636 20 5 ECBDRO COc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000591292478 438996570 /nfs/dbraw/zinc/99/65/70/438996570.db2.gz SRAMJBIGBWINEW-LLVKDONJSA-N 1 0 336.348 0.800 20 5 ECBDRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000566092130 439004911 /nfs/dbraw/zinc/00/49/11/439004911.db2.gz GTHONIOETSVJBJ-ZDUSSCGKSA-N 1 0 346.387 0.690 20 5 ECBDRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000591420750 439012393 /nfs/dbraw/zinc/01/23/93/439012393.db2.gz WTIPKZPRBWBCFC-LBPRGKRZSA-N 1 0 332.360 0.348 20 5 ECBDRO Cc1nc(N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000591425692 439012962 /nfs/dbraw/zinc/01/29/62/439012962.db2.gz HQWNPEHXJQHBPH-CYBMUJFWSA-N 1 0 333.392 0.946 20 5 ECBDRO Cn1c(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)nc2ccccc21 ZINC000519539832 439037378 /nfs/dbraw/zinc/03/73/78/439037378.db2.gz KTERIWYIVZROCJ-GFCCVEGCSA-N 1 0 330.348 0.829 20 5 ECBDRO CC[NH2+][C@H](C)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000602444747 439088824 /nfs/dbraw/zinc/08/88/24/439088824.db2.gz NXXKZXMJSJFBRC-SNVBAGLBSA-N 1 0 340.405 0.939 20 5 ECBDRO O=C(C[NH2+]C[C@@H]1CCCO1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000580422354 439089491 /nfs/dbraw/zinc/08/94/91/439089491.db2.gz AFYYEKBNTRVJCT-ZDUSSCGKSA-N 1 0 337.380 0.723 20 5 ECBDRO Cn1cc(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c([N+](=O)[O-])n1 ZINC000602622065 439117480 /nfs/dbraw/zinc/11/74/80/439117480.db2.gz JMWVHBQLRJCREB-MRVPVSSYSA-N 1 0 335.286 0.829 20 5 ECBDRO O=C(CC[NH2+]CCCN1C(=O)CNC1=O)Nc1ccccc1[N+](=O)[O-] ZINC000591735152 439077369 /nfs/dbraw/zinc/07/73/69/439077369.db2.gz VQFISDPLHNTIDZ-UHFFFAOYSA-N 1 0 349.347 0.455 20 5 ECBDRO COc1ccc([C@@H](C[NH3+])Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)cc1 ZINC000592158454 439169138 /nfs/dbraw/zinc/16/91/38/439169138.db2.gz CKPBLHXMLYVZRB-NSHDSACASA-N 1 0 346.343 0.607 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000567754045 439173485 /nfs/dbraw/zinc/17/34/85/439173485.db2.gz PBJFUJOJIXUOCP-WDEREUQCSA-N 1 0 349.347 0.379 20 5 ECBDRO COc1c(C(=O)N2CC(C[NH+]3CCN(C)CC3)C2)cccc1[N+](=O)[O-] ZINC000597693946 439162374 /nfs/dbraw/zinc/16/23/74/439162374.db2.gz HBGHGABMDPLQLA-UHFFFAOYSA-N 1 0 348.403 0.923 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CNC[C@H](O)C[NH+]2CCCC2)c1 ZINC000592430262 439226615 /nfs/dbraw/zinc/22/66/15/439226615.db2.gz RNENHQVSTGHSHT-LSDHHAIUSA-N 1 0 339.392 0.381 20 5 ECBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000567849041 439186676 /nfs/dbraw/zinc/18/66/76/439186676.db2.gz JVUDGIPLYOPEGE-HTQZYQBOSA-N 1 0 328.756 0.830 20 5 ECBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c1C ZINC000592374278 439214117 /nfs/dbraw/zinc/21/41/17/439214117.db2.gz JTVFGLPHSYFPPI-YPMHNXCESA-N 1 0 343.405 0.948 20 5 ECBDRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592375724 439214470 /nfs/dbraw/zinc/21/44/70/439214470.db2.gz WMSCWHYIWIPELP-SMDDNHRTSA-N 1 0 343.405 0.515 20 5 ECBDRO CCOC(=O)c1cc(S(=O)(=O)NC[C@H](C)[NH3+])cc([N+](=O)[O-])c1C ZINC000592383046 439216523 /nfs/dbraw/zinc/21/65/23/439216523.db2.gz BGBGVIBZOFHJOH-QMMMGPOBSA-N 1 0 345.377 0.705 20 5 ECBDRO C[NH+](C)[C@H](CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-])C1CC1 ZINC000598594304 439281523 /nfs/dbraw/zinc/28/15/23/439281523.db2.gz GZZUXFCORNWNCT-GFCCVEGCSA-N 1 0 336.396 0.974 20 5 ECBDRO CC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000490000765 439250025 /nfs/dbraw/zinc/25/00/25/439250025.db2.gz PXDBJBHYJNXNEI-VIFPVBQESA-N 1 0 326.378 0.678 20 5 ECBDRO [NH3+]C[C@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCCO1 ZINC000581823686 439254694 /nfs/dbraw/zinc/25/46/94/439254694.db2.gz WUVFKBWQZRZBIT-JTQLQIEISA-N 1 0 337.332 0.556 20 5 ECBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000598776966 439314736 /nfs/dbraw/zinc/31/47/36/439314736.db2.gz RDVTVENJNYNOQK-LBPRGKRZSA-N 1 0 336.348 0.367 20 5 ECBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000604489581 439316643 /nfs/dbraw/zinc/31/66/43/439316643.db2.gz OHRHKKSWBGMGBS-CYBMUJFWSA-N 1 0 337.380 0.505 20 5 ECBDRO C[N@@H+]1CCCN(CCCNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000604526543 439319251 /nfs/dbraw/zinc/31/92/51/439319251.db2.gz VPPLPGNOBRWIHA-UHFFFAOYSA-N 1 0 336.396 0.528 20 5 ECBDRO COC[C@]1(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000598913985 439327296 /nfs/dbraw/zinc/32/72/96/439327296.db2.gz UCEIOFRANRPBEU-OAHLLOKOSA-N 1 0 336.348 0.418 20 5 ECBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)n1 ZINC000592875583 439294850 /nfs/dbraw/zinc/29/48/50/439294850.db2.gz ZHFVHPPMLCNUTR-JTQLQIEISA-N 1 0 338.368 0.003 20 5 ECBDRO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000598663923 439298582 /nfs/dbraw/zinc/29/85/82/439298582.db2.gz BTOQYXUNUVSEKC-ONGXEEELSA-N 1 0 339.327 0.533 20 5 ECBDRO C[C@H]1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000598663644 439299078 /nfs/dbraw/zinc/29/90/78/439299078.db2.gz FTQKZOIRRVUPEC-GWCFXTLKSA-N 1 0 335.364 0.912 20 5 ECBDRO Cc1ccc(S(=O)(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000598716945 439307260 /nfs/dbraw/zinc/30/72/60/439307260.db2.gz XJVJNZKNJKWMNX-VXGBXAGGSA-N 1 0 343.405 0.948 20 5 ECBDRO Cc1ccc(S(=O)(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000598716944 439307349 /nfs/dbraw/zinc/30/73/49/439307349.db2.gz XJVJNZKNJKWMNX-RYUDHWBXSA-N 1 0 343.405 0.948 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)n1 ZINC000599097049 439355933 /nfs/dbraw/zinc/35/59/33/439355933.db2.gz DMEFCGXKRSCCTM-UHFFFAOYSA-N 1 0 343.409 0.481 20 5 ECBDRO O=C(NC1CC1)c1ccc(NCC[N@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000599176786 439373149 /nfs/dbraw/zinc/37/31/49/439373149.db2.gz YCWZZSKSMNIXHA-CYBMUJFWSA-N 1 0 334.376 0.966 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCC[NH+]2CCC(O)CC2)nc1 ZINC000593550128 439400538 /nfs/dbraw/zinc/40/05/38/439400538.db2.gz PZHYRBSOOLSVRH-UHFFFAOYSA-N 1 0 344.393 0.115 20 5 ECBDRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000582835697 439384590 /nfs/dbraw/zinc/38/45/90/439384590.db2.gz PKXRILWVJUGNKC-LBPRGKRZSA-N 1 0 346.387 0.595 20 5 ECBDRO Cn1cc(N2CCC[C@@H]([NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000570038049 439384956 /nfs/dbraw/zinc/38/49/56/439384956.db2.gz RRLRCVOBXPPYGX-IUODEOHRSA-N 1 0 349.395 0.144 20 5 ECBDRO C[C@H](CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000599275699 439413653 /nfs/dbraw/zinc/41/36/53/439413653.db2.gz UPBJSHLUBZVIAS-LLVKDONJSA-N 1 0 345.425 0.871 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000583133216 439424188 /nfs/dbraw/zinc/42/41/88/439424188.db2.gz ZYKOUPUTCUWQEZ-ZDUSSCGKSA-N 1 0 337.380 0.388 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H](CCO)c2ccccc2)c1 ZINC000583143345 439425929 /nfs/dbraw/zinc/42/59/29/439425929.db2.gz HOCLNOGUUKYSBW-HOCLYGCPSA-N 1 0 334.376 0.908 20 5 ECBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC(N3CC[C@@H](O)C3)C2)c1 ZINC000593651804 439435651 /nfs/dbraw/zinc/43/56/51/439435651.db2.gz SUQVFGACEBVGCZ-CQSZACIVSA-N 1 0 341.389 0.175 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)n1 ZINC000599331860 439438395 /nfs/dbraw/zinc/43/83/95/439438395.db2.gz YOPYPNQPGIVBAP-VHSXEESVSA-N 1 0 329.382 0.043 20 5 ECBDRO [NH3+]CC[C@@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C(F)F ZINC000583321587 439449934 /nfs/dbraw/zinc/44/99/34/439449934.db2.gz RWZUNEMPPAGEHH-SECBINFHSA-N 1 0 340.290 0.888 20 5 ECBDRO CN(C(=O)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000594026467 439509904 /nfs/dbraw/zinc/50/99/04/439509904.db2.gz DAHHCPRSEOSXGY-LSDHHAIUSA-N 1 0 334.376 0.308 20 5 ECBDRO O=C(NCC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000583512809 439475642 /nfs/dbraw/zinc/47/56/42/439475642.db2.gz BIHVNMBWZMHUCP-ZDUSSCGKSA-N 1 0 349.343 0.947 20 5 ECBDRO CNc1nccc(C(=O)N2CCN([C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000594317752 439540523 /nfs/dbraw/zinc/54/05/23/439540523.db2.gz IHRFMWJBZXENCL-NSHDSACASA-N 1 0 335.364 0.578 20 5 ECBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594393455 439554307 /nfs/dbraw/zinc/55/43/07/439554307.db2.gz NLYKGNGMMCPUJV-NWDGAFQWSA-N 1 0 330.344 0.967 20 5 ECBDRO COc1cccc(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599937083 439578217 /nfs/dbraw/zinc/57/82/17/439578217.db2.gz CWJKBBUKFMPAQQ-RYUDHWBXSA-N 1 0 335.360 0.885 20 5 ECBDRO 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/nfs/dbraw/zinc/68/98/45/439689845.db2.gz KRSFERQPDZMROC-UHFFFAOYSA-N 1 0 325.369 0.730 20 5 ECBDRO Cn1ccnc1[C@@H](NC[C@H]1COCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000600710372 439694133 /nfs/dbraw/zinc/69/41/33/439694133.db2.gz NNSJXLGRMFZCTL-ZFWWWQNUSA-N 1 0 331.376 0.996 20 5 ECBDRO CC[N@@H+]1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C[C@H]1C ZINC000612662107 439735232 /nfs/dbraw/zinc/73/52/32/439735232.db2.gz ANDJMVGFZICMDN-SNVBAGLBSA-N 1 0 328.394 0.773 20 5 ECBDRO C[C@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@@H+]1CCO ZINC000614662903 439784104 /nfs/dbraw/zinc/78/41/04/439784104.db2.gz WGLGCKJPQVOYQZ-LBPRGKRZSA-N 1 0 337.376 0.864 20 5 ECBDRO COCCC[NH+]1CCC(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000339706603 321000611 /nfs/dbraw/zinc/00/06/11/321000611.db2.gz HZMQATNXUXWREH-UHFFFAOYSA-N 1 0 339.396 0.867 20 5 ECBDRO C[NH+](C)CCOCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000345949331 321209633 /nfs/dbraw/zinc/20/96/33/321209633.db2.gz FHWRTWKZLWYRRK-UHFFFAOYSA-N 1 0 339.348 0.674 20 5 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CC[N@@H+]1CCC[C@@H]1CNC(=S)NCCn1cc([N+](=O)[O-])cn1 ZINC000768480437 579126617 /nfs/dbraw/zinc/12/66/17/579126617.db2.gz RFSJEUWOTKLVBY-LLVKDONJSA-N 1 0 326.426 0.740 20 5 ECBDRO COCC[NH2+]CCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841202919 588981891 /nfs/dbraw/zinc/98/18/91/588981891.db2.gz IVMRJERCRVITJD-UHFFFAOYSA-N 1 0 344.755 0.539 20 5 ECBDRO C[C@@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000896555450 586254413 /nfs/dbraw/zinc/25/44/13/586254413.db2.gz JLBXZMCESZDHAK-CZUORRHYSA-N 1 0 349.435 0.782 20 5 ECBDRO O=[N+]([O-])c1cnc(N2CCC(O)(C[NH+]3CCOCC3)CC2)c(F)c1 ZINC000893105843 586311645 /nfs/dbraw/zinc/31/16/45/586311645.db2.gz KNLFBNGAHAIVOV-UHFFFAOYSA-N 1 0 340.355 0.792 20 5 ECBDRO Cn1cc([C@H](O)C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000843091858 589050041 /nfs/dbraw/zinc/05/00/41/589050041.db2.gz LYGOHJBUYGRVJU-CQSZACIVSA-N 1 0 333.348 0.980 20 5 ECBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000843356862 589063345 /nfs/dbraw/zinc/06/33/45/589063345.db2.gz FHKSBLAAEDSAOO-ZANVPECISA-N 1 0 338.320 1.000 20 5 ECBDRO [NH3+]C[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000843369917 589064410 /nfs/dbraw/zinc/06/44/10/589064410.db2.gz YVKWGJIARHZQBQ-LLVKDONJSA-N 1 0 326.328 0.722 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@]1(CO)COCCN1C ZINC000903280210 586774626 /nfs/dbraw/zinc/77/46/26/586774626.db2.gz UAVIXOMBFVEQMJ-MLGOLLRUSA-N 1 0 339.392 0.947 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@]1(CO)COCCN1C ZINC000903280208 586774732 /nfs/dbraw/zinc/77/47/32/586774732.db2.gz UAVIXOMBFVEQMJ-BLLLJJGKSA-N 1 0 339.392 0.947 20 5 ECBDRO COC[C@H]1C[NH2+]CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000903882116 586822840 /nfs/dbraw/zinc/82/28/40/586822840.db2.gz WPWUCOIQVOBZTM-GFCCVEGCSA-N 1 0 340.355 0.983 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCN2CCc3ccccc32)c1 ZINC000905574830 586901805 /nfs/dbraw/zinc/90/18/05/586901805.db2.gz CXZQBTKHGLLRHS-HNNXBMFYSA-N 1 0 331.376 0.805 20 5 ECBDRO CS(=O)(=O)N1CC[C@@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819187114 587471831 /nfs/dbraw/zinc/47/18/31/587471831.db2.gz AUIWASALJBUHLH-SMDDNHRTSA-N 1 0 343.405 0.499 20 5 ECBDRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000819207549 587472072 /nfs/dbraw/zinc/47/20/72/587472072.db2.gz JWZQYNSNLKOVJQ-KKUMJFAQSA-N 1 0 337.376 0.854 20 5 ECBDRO CC(=O)N1C[C@@H]2C[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000821328886 587586003 /nfs/dbraw/zinc/58/60/03/587586003.db2.gz SKXWHWUQGLKZRK-QLFBSQMISA-N 1 0 349.387 0.745 20 5 ECBDRO COCC1(c2nc(-c3c([N+](=O)[O-])nc(C)n3C)no2)CC[NH2+]CC1 ZINC000823093324 587702162 /nfs/dbraw/zinc/70/21/62/587702162.db2.gz DGWWDDPPRMGRNC-UHFFFAOYSA-N 1 0 336.352 0.954 20 5 ECBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)C[C@@H]1C ZINC000824707129 587889205 /nfs/dbraw/zinc/88/92/05/587889205.db2.gz NXJNWPORHQKRHF-WDEREUQCSA-N 1 0 347.379 0.666 20 5 ECBDRO 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ZINC000872235243 590106985 /nfs/dbraw/zinc/10/69/85/590106985.db2.gz DXPGPBNDTFOTME-HOCLYGCPSA-N 1 0 331.376 0.929 20 5 ECBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000882102731 590516943 /nfs/dbraw/zinc/51/69/43/590516943.db2.gz QWSKZPJHMHLKMK-LBPRGKRZSA-N 1 0 337.355 0.872 20 5 ECBDRO O=C1CNCCN1[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923332853 611230110 /nfs/dbraw/zinc/23/01/10/611230110.db2.gz MYZPBJJRMRMBLJ-JKSUJKDBSA-N 1 0 348.403 0.524 20 5 ECBDRO O=[N+]([O-])c1cnn(CCN(Cc2ccccc2)[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000923561874 611263048 /nfs/dbraw/zinc/26/30/48/611263048.db2.gz OJRNGFLMRVZZHZ-HZPDHXFCSA-N 1 0 331.376 0.626 20 5 ECBDRO CN(CC[NH3+])S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000842486397 611313638 /nfs/dbraw/zinc/31/36/38/611313638.db2.gz YYFYOVWSZPWNOL-UHFFFAOYSA-N 1 0 338.183 0.937 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c1 ZINC000247690001 612534961 /nfs/dbraw/zinc/53/49/61/612534961.db2.gz VSMBVGKBPATLNZ-DGCLKSJQSA-N 1 0 326.353 0.237 20 5 ECBDRO CC1CC[NH+](CC(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC000954240176 612789817 /nfs/dbraw/zinc/78/98/17/612789817.db2.gz YUYNHIGOGGJAPG-ZIAGYGMSSA-N 1 0 338.408 0.053 20 5 ECBDRO CN(C)c1cc[nH+]cc1C(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000954240398 612790146 /nfs/dbraw/zinc/79/01/46/612790146.db2.gz PKECDCBXXZAIJY-BXUZGUMPSA-N 1 0 347.375 0.096 20 5 ECBDRO COc1cc2ncnc(N3CCN4CC[NH2+]C[C@@H]4C3)c2cc1[N+](=O)[O-] ZINC001164398747 718834394 /nfs/dbraw/zinc/83/43/94/718834394.db2.gz KRGGLCOERAUETP-LLVKDONJSA-N 1 0 344.375 0.640 20 5 ECBDRO O=C1NCCN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C12C[NH2+]C2 ZINC001164411036 718877890 /nfs/dbraw/zinc/87/78/90/718877890.db2.gz LNLBXXMGOCTVJG-UHFFFAOYSA-N 1 0 347.709 0.466 20 5 ECBDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2cc([N+](=O)[O-])cc[n+]2[O-])C1 ZINC001164728577 720506115 /nfs/dbraw/zinc/50/61/15/720506115.db2.gz GJDPRPDDSJAJQI-GFCCVEGCSA-N 1 0 332.364 0.623 20 5 ECBDRO CC(C)CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1 ZINC001105235627 741527288 /nfs/dbraw/zinc/52/72/88/741527288.db2.gz LWLJHMAFLDWALV-ZIAGYGMSSA-N 1 0 336.396 0.462 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)CC2=CCOCC2)C1 ZINC001020551981 751789674 /nfs/dbraw/zinc/78/96/74/751789674.db2.gz SAECSIWGHIKPDY-JOCQHMNTSA-N 1 0 349.391 0.802 20 5 ECBDRO Cn1cc(CC[N@@H+]2CCCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)cn1 ZINC000981763762 751074851 /nfs/dbraw/zinc/07/48/51/751074851.db2.gz KHIHEVQUDYMYNE-HUUCEWRRSA-N 1 0 347.419 0.552 20 5 ECBDRO Cc1cncn1CC(=O)N(C)CCN(C)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001105505029 753763530 /nfs/dbraw/zinc/76/35/30/753763530.db2.gz PKQSQOUSRZQDRM-UHFFFAOYSA-N 1 0 348.363 0.795 20 5 ECBDRO CN(CCN(C)c1cc[nH]c(=O)c1[N+](=O)[O-])C(=O)CCC[NH+](C)C ZINC001105538623 753810118 /nfs/dbraw/zinc/81/01/18/753810118.db2.gz AOBHZOWJJVYSTI-UHFFFAOYSA-N 1 0 339.396 0.932 20 5 ECBDRO CN(CC[N@H+](C)CCO)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001168337417 754667328 /nfs/dbraw/zinc/66/73/28/754667328.db2.gz FDXJMNYDBXEUGQ-UHFFFAOYSA-N 1 0 339.348 0.362 20 5 ECBDRO O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Nc1ccccc1Cl ZINC001126936259 756744351 /nfs/dbraw/zinc/74/43/51/756744351.db2.gz DAWBCYTUJSZHPG-BXKDBHETSA-N 1 0 340.767 0.650 20 5 ECBDRO CCn1cc(CC[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC000996429187 757656326 /nfs/dbraw/zinc/65/63/26/757656326.db2.gz LHYDDNHSGHCHMJ-HUUCEWRRSA-N 1 0 335.408 0.691 20 5 ECBDRO CC(C)(C)n1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001022063723 758225957 /nfs/dbraw/zinc/22/59/57/758225957.db2.gz JAKJKEQPAFDIHQ-WRWGMCAJSA-N 1 0 336.396 0.435 20 5 ECBDRO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2cnns2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050325707 760130828 /nfs/dbraw/zinc/13/08/28/760130828.db2.gz LHZJUNFHHVFPCY-FPQZTECRSA-N 1 0 339.421 0.968 20 5 ECBDRO Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001060415753 765046341 /nfs/dbraw/zinc/04/63/41/765046341.db2.gz WUWYNQKUEKROIW-LAQFHYBYSA-N 1 0 345.403 0.945 20 5 ECBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(=O)NCC[N@@H+](CC2CCC2)CC1 ZINC001070963179 784241816 /nfs/dbraw/zinc/24/18/16/784241816.db2.gz FHQHDRILLDJQQJ-ZIAGYGMSSA-N 1 0 338.408 0.102 20 5 ECBDRO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCOc1cccc(F)c1 ZINC001266273031 835595666 /nfs/dbraw/zinc/59/56/66/835595666.db2.gz JEXZRMCDMAPMIN-ZIAGYGMSSA-N 1 0 325.340 0.918 20 5 ECBDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000428453630 210261211 /nfs/dbraw/zinc/26/12/11/210261211.db2.gz GLAFABJRYMSECW-MNOVXSKESA-N 1 0 336.348 0.613 20 5 ECBDRO CNC(=O)[C@@H](C)C[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181944408 529894674 /nfs/dbraw/zinc/89/46/74/529894674.db2.gz OBNVJJHDLKTWCS-RYUDHWBXSA-N 1 0 325.365 0.648 20 5 ECBDRO Cn1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(=O)n(C)c1=O ZINC000425966578 210125771 /nfs/dbraw/zinc/12/57/71/210125771.db2.gz XMFIYAIPAYYFCD-UHFFFAOYSA-N 1 0 348.363 0.026 20 5 ECBDRO CC(C)(C(=O)NCCCC[NH+]1CCOCC1)n1cc([N+](=O)[O-])cn1 ZINC000102332872 219195784 /nfs/dbraw/zinc/19/57/84/219195784.db2.gz IUWRHSUUTLFERF-UHFFFAOYSA-N 1 0 339.396 0.755 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000423745819 209819952 /nfs/dbraw/zinc/81/99/52/209819952.db2.gz OMFCZTBQLCQJRD-YPMHNXCESA-N 1 0 334.376 0.877 20 5 ECBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423694326 209804010 /nfs/dbraw/zinc/80/40/10/209804010.db2.gz ASVKPIWAWZVPLG-LLVKDONJSA-N 1 0 329.360 0.776 20 5 ECBDRO Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000127431199 222838959 /nfs/dbraw/zinc/83/89/59/222838959.db2.gz CAGKAWASNBODCO-UKRRQHHQSA-N 1 0 346.387 0.986 20 5 ECBDRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000423314604 209724646 /nfs/dbraw/zinc/72/46/46/209724646.db2.gz YLVIDIDVFDLRJV-QGZVFWFLSA-N 1 0 346.387 0.677 20 5 ECBDRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000423298491 209722690 /nfs/dbraw/zinc/72/26/90/209722690.db2.gz AFERARBRJZABDG-LBPRGKRZSA-N 1 0 346.387 0.547 20 5 ECBDRO COc1c(F)cc(S(=O)(=O)NC[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000420485032 209374808 /nfs/dbraw/zinc/37/48/08/209374808.db2.gz YZNXYXFCAWVCDG-QMMMGPOBSA-N 1 0 349.340 0.009 20 5 ECBDRO Cc1ccc(S(=O)(=O)N2CCCO[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420470488 209373149 /nfs/dbraw/zinc/37/31/49/209373149.db2.gz MPOPUBOAORSRDQ-LLVKDONJSA-N 1 0 329.378 0.642 20 5 ECBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2C[NH2+]CCN2C)c1C ZINC000420463991 209372205 /nfs/dbraw/zinc/37/22/05/209372205.db2.gz XDQDVQQZKJIBKV-GFCCVEGCSA-N 1 0 342.421 0.394 20 5 ECBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000420147601 209321464 /nfs/dbraw/zinc/32/14/64/209321464.db2.gz SJTJUXDRZMPPCB-YPMHNXCESA-N 1 0 334.376 0.810 20 5 ECBDRO CC(C)([NH3+])CNC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000420078430 209300412 /nfs/dbraw/zinc/30/04/12/209300412.db2.gz OWEYRIWHADFURI-UHFFFAOYSA-N 1 0 336.348 0.038 20 5 ECBDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000420020363 209278616 /nfs/dbraw/zinc/27/86/16/209278616.db2.gz SEDCCQXMWGPRHZ-OAHLLOKOSA-N 1 0 339.348 0.756 20 5 ECBDRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000419887381 209238633 /nfs/dbraw/zinc/23/86/33/209238633.db2.gz JCRPRBRPTFODCG-NSHDSACASA-N 1 0 348.359 0.053 20 5 ECBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000193497102 240188047 /nfs/dbraw/zinc/18/80/47/240188047.db2.gz QNLCGGKWJPSMBJ-MISXGVKJSA-N 1 0 334.376 0.970 20 5 ECBDRO COc1ccc(S(=O)(=O)NC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000194986822 240794405 /nfs/dbraw/zinc/79/44/05/240794405.db2.gz UFZMWHSLTJKPGO-JTQLQIEISA-N 1 0 329.378 0.881 20 5 ECBDRO Cc1cccc(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c1[N+](=O)[O-] ZINC000237602702 242713331 /nfs/dbraw/zinc/71/33/31/242713331.db2.gz WUSYKVATTQCWAK-GFCCVEGCSA-N 1 0 334.376 0.830 20 5 ECBDRO C[C@@H]([NH3+])CCC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262715786 245140684 /nfs/dbraw/zinc/14/06/84/245140684.db2.gz DMRLPOQSEGKHJY-SNVBAGLBSA-N 1 0 344.393 0.117 20 5 ECBDRO C[NH+]1CCN(CCNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000264261664 246257783 /nfs/dbraw/zinc/25/77/83/246257783.db2.gz JQMFAPODCSCGRT-UHFFFAOYSA-N 1 0 340.355 0.476 20 5 ECBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000264330277 246360573 /nfs/dbraw/zinc/36/05/73/246360573.db2.gz WXMOSJHYVCBUFN-UHFFFAOYSA-N 1 0 337.380 0.553 20 5 ECBDRO Cc1nn(C)c(NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1[N+](=O)[O-] ZINC000265164265 247262230 /nfs/dbraw/zinc/26/22/30/247262230.db2.gz WSWXKMSAUDMRJO-LBPRGKRZSA-N 1 0 338.412 0.991 20 5 ECBDRO C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)[NH3+] ZINC000449587638 211284494 /nfs/dbraw/zinc/28/44/94/211284494.db2.gz JMISYNMLDUZGIN-VHSXEESVSA-N 1 0 344.393 0.115 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H](CO)[C@H]2CCCO2)c1 ZINC000447922340 211218710 /nfs/dbraw/zinc/21/87/10/211218710.db2.gz OSGNIPQQAREULX-VHDGCEQUSA-N 1 0 326.349 0.464 20 5 ECBDRO [NH3+][C@H]1CCC[C@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000446407405 211143781 /nfs/dbraw/zinc/14/37/81/211143781.db2.gz ASUWMKWHTGHTPZ-QWRGUYRKSA-N 1 0 348.359 0.706 20 5 ECBDRO C[C@@H]1C[N@@H+](CCCCNC(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000443676598 211031096 /nfs/dbraw/zinc/03/10/96/211031096.db2.gz VZKYHUYMMGCWGJ-TXEJJXNPSA-N 1 0 340.384 0.192 20 5 ECBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000357303389 299560113 /nfs/dbraw/zinc/56/01/13/299560113.db2.gz IEXPDBYWURNGKP-CYBMUJFWSA-N 1 0 348.363 0.614 20 5 ECBDRO CN(C)C(=O)[C@@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000411943251 208174797 /nfs/dbraw/zinc/17/47/97/208174797.db2.gz NIJXFOYNJHKPDI-CYBMUJFWSA-N 1 0 346.387 0.894 20 5 ECBDRO COC(=O)[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000413920039 208375131 /nfs/dbraw/zinc/37/51/31/208375131.db2.gz MWPAMCQXNHHIAD-CYBMUJFWSA-N 1 0 335.360 0.701 20 5 ECBDRO COc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000415488703 208534865 /nfs/dbraw/zinc/53/48/65/208534865.db2.gz TYBLRIGDMVJWDH-PWSUYJOCSA-N 1 0 348.359 0.895 20 5 ECBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000429452378 210318560 /nfs/dbraw/zinc/31/85/60/210318560.db2.gz QDTLHCFWWKZDPV-VXGBXAGGSA-N 1 0 338.412 0.895 20 5 ECBDRO O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000428819222 210286043 /nfs/dbraw/zinc/28/60/43/210286043.db2.gz HCCLYWPIQOAGST-AWEZNQCLSA-N 1 0 345.359 0.997 20 5 ECBDRO [NH3+][C@H]1CCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000429062334 210296388 /nfs/dbraw/zinc/29/63/88/210296388.db2.gz IODKKFMIXIDTAA-QMMMGPOBSA-N 1 0 326.740 0.538 20 5 ECBDRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000418950725 208921345 /nfs/dbraw/zinc/92/13/45/208921345.db2.gz TURWEBFGNMREBV-SNVBAGLBSA-N 1 0 338.364 0.334 20 5 ECBDRO [NH3+]CCCCNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000357824625 299638598 /nfs/dbraw/zinc/63/85/98/299638598.db2.gz VANJRWOUYZUPRV-UHFFFAOYSA-N 1 0 344.393 0.118 20 5 ECBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000090588795 164638138 /nfs/dbraw/zinc/63/81/38/164638138.db2.gz RZDVVVDLMNNLCS-ZDUSSCGKSA-N 1 0 332.364 0.760 20 5 ECBDRO COCCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000192855259 165049095 /nfs/dbraw/zinc/04/90/95/165049095.db2.gz SKWLTYFKDBOQAV-UHFFFAOYSA-N 1 0 343.405 0.856 20 5 ECBDRO COCCOC[C@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247352794 165159574 /nfs/dbraw/zinc/15/95/74/165159574.db2.gz GVBKDXHJAPWAFF-GXTWGEPZSA-N 1 0 328.369 0.137 20 5 ECBDRO C[C@]1(C[NH3+])CCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 ZINC000261728488 165234146 /nfs/dbraw/zinc/23/41/46/165234146.db2.gz CSAWZSRFQWHNNS-CQSZACIVSA-N 1 0 341.389 0.809 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CCC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261977347 165270875 /nfs/dbraw/zinc/27/08/75/165270875.db2.gz QYDUCRAVPYFSMN-SNVBAGLBSA-N 1 0 329.378 0.963 20 5 ECBDRO COC(=O)COc1ccc(CN2CCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261992500 165272668 /nfs/dbraw/zinc/27/26/68/165272668.db2.gz SNCBWXZGQMALTR-LBPRGKRZSA-N 1 0 339.348 0.306 20 5 ECBDRO [NH3+]C1CCC(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000262546556 165361629 /nfs/dbraw/zinc/36/16/29/165361629.db2.gz MIDPJLGEFCQOHS-UHFFFAOYSA-N 1 0 348.359 0.706 20 5 ECBDRO COc1cc(S(=O)(=O)N2CC[NH2+][C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000262759119 165384144 /nfs/dbraw/zinc/38/41/44/165384144.db2.gz IWHJWJHMUZHDPT-ZJUUUORDSA-N 1 0 329.378 0.974 20 5 ECBDRO COc1cc(S(=O)(=O)NCC[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000262767786 165385682 /nfs/dbraw/zinc/38/56/82/165385682.db2.gz UODPQZKZCDPCEN-SNVBAGLBSA-N 1 0 329.378 0.881 20 5 ECBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000262871286 165397300 /nfs/dbraw/zinc/39/73/00/165397300.db2.gz VBQFEWWZUBXWRV-CMPLNLGQSA-N 1 0 348.359 0.434 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000172380019 227664360 /nfs/dbraw/zinc/66/43/60/227664360.db2.gz MSAGDMJKUKPFAY-LBPRGKRZSA-N 1 0 337.380 0.408 20 5 ECBDRO CS(=O)(=O)c1cc(C(=O)N2C[C@@H]3C[NH2+]C[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000359423763 299849456 /nfs/dbraw/zinc/84/94/56/299849456.db2.gz MDDHGEUBYHSUGT-QWRGUYRKSA-N 1 0 339.373 0.290 20 5 ECBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000286149250 264375275 /nfs/dbraw/zinc/37/52/75/264375275.db2.gz INBZYMIDYSLKLK-CQSZACIVSA-N 1 0 333.392 0.920 20 5 ECBDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000286413983 264396101 /nfs/dbraw/zinc/39/61/01/264396101.db2.gz KEQBWNXFXZPFHK-GXTWGEPZSA-N 1 0 339.396 0.533 20 5 ECBDRO CC[C@H](CO)[NH+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000072798269 276570489 /nfs/dbraw/zinc/57/04/89/276570489.db2.gz JXQURTBODGBOIZ-CYBMUJFWSA-N 1 0 336.392 0.922 20 5 ECBDRO CN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262731135 277001737 /nfs/dbraw/zinc/00/17/37/277001737.db2.gz DKWKGGKCBPQLAE-SECBINFHSA-N 1 0 343.361 0.348 20 5 ECBDRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000423599447 277283674 /nfs/dbraw/zinc/28/36/74/277283674.db2.gz XTASEGSZIOOVNH-CQSZACIVSA-N 1 0 348.403 0.806 20 5 ECBDRO C[C@@H](CNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)[NH+](C)C ZINC000455442695 277582137 /nfs/dbraw/zinc/58/21/37/277582137.db2.gz GTRUXHIAMWIXHH-LBPRGKRZSA-N 1 0 336.396 0.772 20 5 ECBDRO C[C@H](NC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000418872636 278233902 /nfs/dbraw/zinc/23/39/02/278233902.db2.gz SHUJLXHUBXAYCA-JSGCOSHPSA-N 1 0 348.403 0.758 20 5 ECBDRO C[NH+](C)C1(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000114211150 289059122 /nfs/dbraw/zinc/05/91/22/289059122.db2.gz GCOYBMRSBBKOKX-UHFFFAOYSA-N 1 0 343.405 0.984 20 5 ECBDRO C[NH+](C)CCNC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000431622796 289163906 /nfs/dbraw/zinc/16/39/06/289163906.db2.gz QDMHMAJBPBROMS-UHFFFAOYSA-N 1 0 334.332 0.540 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000073130886 293394856 /nfs/dbraw/zinc/39/48/56/293394856.db2.gz OJZYLADRRSMXGC-UHFFFAOYSA-N 1 0 325.369 0.327 20 5 ECBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000345021139 298108271 /nfs/dbraw/zinc/10/82/71/298108271.db2.gz UQXMAUYKAJOUMX-INIZCTEOSA-N 1 0 337.376 0.855 20 5 ECBDRO C[NH+](C)CCOc1cnccc1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000345284586 298139907 /nfs/dbraw/zinc/13/99/07/298139907.db2.gz VLAQQSKESAEJSP-UHFFFAOYSA-N 1 0 348.363 0.443 20 5 ECBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346200050 298238471 /nfs/dbraw/zinc/23/84/71/298238471.db2.gz QVWNGRMZCNPBLQ-IHRRRGAJSA-N 1 0 348.403 0.945 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])n1 ZINC000353311218 299036128 /nfs/dbraw/zinc/03/61/28/299036128.db2.gz ZLZAIJCCVQLSKT-NXEZZACHSA-N 1 0 331.398 0.559 20 5 ECBDRO C[NH+]1CCC(O)(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000362870077 300229321 /nfs/dbraw/zinc/22/93/21/300229321.db2.gz ZHGPJWGQNULSGT-UHFFFAOYSA-N 1 0 343.330 0.988 20 5 ECBDRO COc1ccnc(N2CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000364056248 300322550 /nfs/dbraw/zinc/32/25/50/300322550.db2.gz LBPZYZYSRRUSRG-UHFFFAOYSA-N 1 0 347.379 0.802 20 5 ECBDRO CS(=O)(=O)c1cc(C(=O)N[C@H]2CCC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000364558698 300368177 /nfs/dbraw/zinc/36/81/77/300368177.db2.gz DWTJZAQASJFKRA-NSHDSACASA-N 1 0 341.389 0.870 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c([N+](=O)[O-])c1 ZINC000365303656 300440228 /nfs/dbraw/zinc/44/02/28/300440228.db2.gz BDKZNFJOMVCMBO-JQWIXIFHSA-N 1 0 341.389 0.976 20 5 ECBDRO COc1cc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)ccc1[N+](=O)[O-] ZINC000370173826 300801159 /nfs/dbraw/zinc/80/11/59/300801159.db2.gz OSWXZTPJAZAXJJ-CMPLNLGQSA-N 1 0 341.389 0.976 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000373052265 301043214 /nfs/dbraw/zinc/04/32/14/301043214.db2.gz BRHXYOSPNJOULD-JQWIXIFHSA-N 1 0 341.389 0.976 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC(=O)N(C)C ZINC000026257915 436161834 /nfs/dbraw/zinc/16/18/34/436161834.db2.gz JJFDNMWTWBXSON-UHFFFAOYSA-N 1 0 338.364 0.952 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000375325731 301168070 /nfs/dbraw/zinc/16/80/70/301168070.db2.gz AFCRTIHZZCZZOJ-STQMWFEESA-N 1 0 333.348 0.873 20 5 ECBDRO Cc1noc(C2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000075646105 436168417 /nfs/dbraw/zinc/16/84/17/436168417.db2.gz JOXDXHUDRPBUBC-CYBMUJFWSA-N 1 0 336.352 0.723 20 5 ECBDRO CC(=O)N1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000028694873 436192481 /nfs/dbraw/zinc/19/24/81/436192481.db2.gz HQKWGRVQZQXLEZ-HNNXBMFYSA-N 1 0 337.376 0.889 20 5 ECBDRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000076459257 436208314 /nfs/dbraw/zinc/20/83/14/436208314.db2.gz OLXDXJYDFLRWBL-JTQLQIEISA-N 1 0 340.405 0.974 20 5 ECBDRO COc1ccc(S(=O)(=O)N[C@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000394826737 301453529 /nfs/dbraw/zinc/45/35/29/301453529.db2.gz XJLGRPVMRWFACX-MRVPVSSYSA-N 1 0 339.320 0.864 20 5 ECBDRO C[NH+](C)C(C)(C)CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000042159154 436297923 /nfs/dbraw/zinc/29/79/23/436297923.db2.gz CDUBUHHGXGIOAB-UHFFFAOYSA-N 1 0 348.359 0.647 20 5 ECBDRO CC[NH+]1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000042590983 436309795 /nfs/dbraw/zinc/30/97/95/436309795.db2.gz RYXXYYZXIGIPMW-UHFFFAOYSA-N 1 0 336.392 0.971 20 5 ECBDRO O=C(NCC1CC[NH2+]CC1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000515465335 301642579 /nfs/dbraw/zinc/64/25/79/301642579.db2.gz ZQHZWSJYMHPNEF-UHFFFAOYSA-N 1 0 346.387 0.595 20 5 ECBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000090550907 436432568 /nfs/dbraw/zinc/43/25/68/436432568.db2.gz RSXZTALDGVBCGF-AWEZNQCLSA-N 1 0 336.392 0.553 20 5 ECBDRO C[NH+]1CCC(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000048402492 436452987 /nfs/dbraw/zinc/45/29/87/436452987.db2.gz XFWYHLLTLGTDSN-UHFFFAOYSA-N 1 0 348.359 0.531 20 5 ECBDRO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000520569014 301775046 /nfs/dbraw/zinc/77/50/46/301775046.db2.gz PANQKWBAQIFIKW-YPMHNXCESA-N 1 0 346.405 0.747 20 5 ECBDRO C[C@H]1C[NH+](CCCNC(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000051353195 436489055 /nfs/dbraw/zinc/48/90/55/436489055.db2.gz AZXFCHYEKBVKDJ-RYUDHWBXSA-N 1 0 325.369 0.407 20 5 ECBDRO C[NH+](C)CCN1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000053694676 436538607 /nfs/dbraw/zinc/53/86/07/436538607.db2.gz ABZJHHJYQJRILS-UHFFFAOYSA-N 1 0 336.392 0.679 20 5 ECBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)C2)CC1 ZINC000106921018 436605138 /nfs/dbraw/zinc/60/51/38/436605138.db2.gz CIOZYZGLFVRXJD-GFCCVEGCSA-N 1 0 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O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](CCO)Cc2cccc(F)c2)c1 ZINC000494254635 438683155 /nfs/dbraw/zinc/68/31/55/438683155.db2.gz SWCFEJAIUNJJGN-OAHLLOKOSA-N 1 0 338.339 0.786 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000423575862 438690374 /nfs/dbraw/zinc/69/03/74/438690374.db2.gz ZDGKVNKOMYQQOD-ZWNOBZJWSA-N 1 0 334.376 0.747 20 5 ECBDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000451587592 438700062 /nfs/dbraw/zinc/70/00/62/438700062.db2.gz MMCBINLLMYSHEH-XQQFMLRXSA-N 1 0 326.353 0.474 20 5 ECBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000451631702 438702584 /nfs/dbraw/zinc/70/25/84/438702584.db2.gz IPTJDYIAPWCNGY-TXEJJXNPSA-N 1 0 346.343 0.436 20 5 ECBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000575022335 438733828 /nfs/dbraw/zinc/73/38/28/438733828.db2.gz QAVNGIHGNZMAMB-UHFFFAOYSA-N 1 0 335.364 0.765 20 5 ECBDRO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] 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C[C@]1(NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC[NH2+]C1 ZINC000595992828 438911212 /nfs/dbraw/zinc/91/12/12/438911212.db2.gz SSBPGVOFLRVASC-ZDUSSCGKSA-N 1 0 327.362 0.480 20 5 ECBDRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000578346207 438917739 /nfs/dbraw/zinc/91/77/39/438917739.db2.gz RKRVWFWYEVGJKI-UHFFFAOYSA-N 1 0 341.368 0.663 20 5 ECBDRO Nc1ccc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)nc1[N+](=O)[O-] ZINC000596111957 438927620 /nfs/dbraw/zinc/92/76/20/438927620.db2.gz FOJKXOLZCJQEKR-UHFFFAOYSA-N 1 0 334.380 0.316 20 5 ECBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000596127791 438928691 /nfs/dbraw/zinc/92/86/91/438928691.db2.gz AVLADFPGCYREAL-HNNXBMFYSA-N 1 0 336.348 0.800 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccnc(-n3cccn3)c2)c1 ZINC000566106669 439006726 /nfs/dbraw/zinc/00/67/26/439006726.db2.gz WSXSHKUZQUCAGJ-CQSZACIVSA-N 1 0 343.347 0.523 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2c[nH]c3ncccc23)c1 ZINC000566115730 439007314 /nfs/dbraw/zinc/00/73/14/439007314.db2.gz RUBDHMWOJZGYNT-ZDUSSCGKSA-N 1 0 330.348 0.861 20 5 ECBDRO CCNC(=O)c1cccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000580064046 439059168 /nfs/dbraw/zinc/05/91/68/439059168.db2.gz IEAQHMNKOQOABX-OAHLLOKOSA-N 1 0 347.375 0.692 20 5 ECBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000591685965 439059584 /nfs/dbraw/zinc/05/95/84/439059584.db2.gz FHTWSMGWCHHFJF-RYUDHWBXSA-N 1 0 338.339 0.531 20 5 ECBDRO C[C@H]1CN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC[C@@H]1[NH3+] ZINC000591578166 439023564 /nfs/dbraw/zinc/02/35/64/439023564.db2.gz HMYKPNIMJSUBSJ-FZMZJTMJSA-N 1 0 346.387 0.675 20 5 ECBDRO Cn1cc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c([N+](=O)[O-])n1 ZINC000602434564 439086598 /nfs/dbraw/zinc/08/65/98/439086598.db2.gz GMSLLRLZTGLQOU-LBPRGKRZSA-N 1 0 337.380 0.399 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCOCC[NH+](C)C ZINC000471647642 439088996 /nfs/dbraw/zinc/08/89/96/439088996.db2.gz QYIBJJRPLMYXAA-UHFFFAOYSA-N 1 0 347.393 0.460 20 5 ECBDRO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000520569012 439089584 /nfs/dbraw/zinc/08/95/84/439089584.db2.gz PANQKWBAQIFIKW-DGCLKSJQSA-N 1 0 346.405 0.747 20 5 ECBDRO C[C@]1(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C[NH2+]CCO1 ZINC000602474993 439093482 /nfs/dbraw/zinc/09/34/82/439093482.db2.gz SHCDXXCJKBYPHG-MRXNPFEDSA-N 1 0 334.376 0.622 20 5 ECBDRO C[NH2+]CCOCCN(C)C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000602547337 439107833 /nfs/dbraw/zinc/10/78/33/439107833.db2.gz WZFRURYNURJRGB-UHFFFAOYSA-N 1 0 325.365 0.840 20 5 ECBDRO CO[C@@H]1C[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1OC ZINC000488011285 439172182 /nfs/dbraw/zinc/17/21/82/439172182.db2.gz RHLVCKVWXSUKOX-NILFDRSVSA-N 1 0 326.349 0.680 20 5 ECBDRO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000580775194 439129034 /nfs/dbraw/zinc/12/90/34/439129034.db2.gz QZDDJXDQUXAYHF-AWEZNQCLSA-N 1 0 342.355 0.841 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)n1 ZINC000597619984 439140913 /nfs/dbraw/zinc/14/09/13/439140913.db2.gz LYYMHJZFWFKJLV-GFCCVEGCSA-N 1 0 337.380 0.655 20 5 ECBDRO CC(C)(C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)n1cc([N+](=O)[O-])cn1 ZINC000597624800 439141411 /nfs/dbraw/zinc/14/14/11/439141411.db2.gz LEORBLDVXAVOAP-LBPRGKRZSA-N 1 0 336.396 0.033 20 5 ECBDRO C[C@H](NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000567479529 439147541 /nfs/dbraw/zinc/14/75/41/439147541.db2.gz ZSCODIAGSRWNDI-NWDGAFQWSA-N 1 0 334.376 0.969 20 5 ECBDRO CN1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C(C)(C)C ZINC000602873254 439150387 /nfs/dbraw/zinc/15/03/87/439150387.db2.gz IFYBQYYCDACHKW-KGLIPLIRSA-N 1 0 325.413 0.814 20 5 ECBDRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000567652374 439162514 /nfs/dbraw/zinc/16/25/14/439162514.db2.gz ZFIVIFHRTFFOHZ-GFCCVEGCSA-N 1 0 346.387 0.547 20 5 ECBDRO CC(C)N1C[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000567682370 439163672 /nfs/dbraw/zinc/16/36/72/439163672.db2.gz OYFZEAGVFUZRAY-GXTWGEPZSA-N 1 0 337.376 0.933 20 5 ECBDRO CN(CCC[NH3+])C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000592298679 439194110 /nfs/dbraw/zinc/19/41/10/439194110.db2.gz OIGRAQLJFWYRPL-UHFFFAOYSA-N 1 0 344.393 0.070 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000597942331 439202308 /nfs/dbraw/zinc/20/23/08/439202308.db2.gz LPGIBJGBOLVBNE-LBPRGKRZSA-N 1 0 340.428 0.488 20 5 ECBDRO NC(=O)[C@@H]1CC[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000581365215 439203080 /nfs/dbraw/zinc/20/30/80/439203080.db2.gz JJONCLCJHYUUKT-MNOVXSKESA-N 1 0 341.389 0.612 20 5 ECBDRO CCc1ccc(S(=O)(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000592373796 439211712 /nfs/dbraw/zinc/21/17/12/439211712.db2.gz CELFTVCXCPZYJE-IINYFYTJSA-N 1 0 343.405 0.894 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])n1 ZINC000568087664 439212025 /nfs/dbraw/zinc/21/20/25/439212025.db2.gz OSFOKASBHRMWSA-ZDUSSCGKSA-N 1 0 343.409 0.575 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000592371039 439212471 /nfs/dbraw/zinc/21/24/71/439212471.db2.gz BJIIMWLLOAYPTB-UWVGGRQHSA-N 1 0 329.378 0.961 20 5 ECBDRO C[C@H]1C[NH2+]C[C@H](NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000592439020 439230292 /nfs/dbraw/zinc/23/02/92/439230292.db2.gz XRYJJLVQWCWSGU-VXGBXAGGSA-N 1 0 342.421 0.461 20 5 ECBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000592468421 439234334 /nfs/dbraw/zinc/23/43/34/439234334.db2.gz FTTSLQWMQRLPCE-SNVBAGLBSA-N 1 0 335.364 0.104 20 5 ECBDRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000598187603 439237508 /nfs/dbraw/zinc/23/75/08/439237508.db2.gz QREHJOFKLFAJFZ-UHFFFAOYSA-N 1 0 340.355 0.826 20 5 ECBDRO [NH3+][C@H]1C[C@@H](C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000592535282 439245029 /nfs/dbraw/zinc/24/50/29/439245029.db2.gz RPNWDZIFMFQSGJ-BETUJISGSA-N 1 0 332.360 0.617 20 5 ECBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000568409514 439245716 /nfs/dbraw/zinc/24/57/16/439245716.db2.gz KGOYHNQREMLLAZ-RTXFEEFZSA-N 1 0 349.391 0.896 20 5 ECBDRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000592551661 439251507 /nfs/dbraw/zinc/25/15/07/439251507.db2.gz GRKSKRJOXTZFMQ-AWEZNQCLSA-N 1 0 335.360 0.809 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592555459 439254056 /nfs/dbraw/zinc/25/40/56/439254056.db2.gz ZHIJTHIHNDMASE-UONOGXRCSA-N 1 0 348.403 0.995 20 5 ECBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000598915982 439327150 /nfs/dbraw/zinc/32/71/50/439327150.db2.gz RUOXTXFEOVFORL-AWEZNQCLSA-N 1 0 347.375 0.039 20 5 ECBDRO CS[C@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000582131293 439296819 /nfs/dbraw/zinc/29/68/19/439296819.db2.gz DALRLLAITWBPGB-ZJUUUORDSA-N 1 0 325.394 0.690 20 5 ECBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598663863 439298805 /nfs/dbraw/zinc/29/88/05/439298805.db2.gz AHQSNLLTIIFEDW-ZWNOBZJWSA-N 1 0 335.364 0.831 20 5 ECBDRO C[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000604199877 439301150 /nfs/dbraw/zinc/30/11/50/439301150.db2.gz VMYGOSMGNPSWQO-LLVKDONJSA-N 1 0 348.359 0.531 20 5 ECBDRO C[NH2+]CCOCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000599107278 439360521 /nfs/dbraw/zinc/36/05/21/439360521.db2.gz NDBCRWFALONCTF-UHFFFAOYSA-N 1 0 331.394 0.760 20 5 ECBDRO COCC[N@@H+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC000593101674 439344038 /nfs/dbraw/zinc/34/40/38/439344038.db2.gz RFVACACHJLRDTQ-AWEZNQCLSA-N 1 0 341.412 0.195 20 5 ECBDRO O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000582605263 439356019 /nfs/dbraw/zinc/35/60/19/439356019.db2.gz MTRGLTOUGPDLEH-BETUJISGSA-N 1 0 346.387 0.723 20 5 ECBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1([NH3+])CCOCC1 ZINC000599100440 439357587 /nfs/dbraw/zinc/35/75/87/439357587.db2.gz FBQRDJGONFFRQO-UHFFFAOYSA-N 1 0 329.378 0.689 20 5 ECBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1(C[NH3+])CCOCC1 ZINC000599104346 439357987 /nfs/dbraw/zinc/35/79/87/439357987.db2.gz STHRZGIJFHFNNS-UHFFFAOYSA-N 1 0 343.405 0.943 20 5 ECBDRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599230800 439392900 /nfs/dbraw/zinc/39/29/00/439392900.db2.gz WKNIGGQEFQHXRQ-UHFFFAOYSA-N 1 0 331.398 0.291 20 5 ECBDRO CC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000570198320 439399972 /nfs/dbraw/zinc/39/99/72/439399972.db2.gz UKHVEFKWOMUQQS-CYBMUJFWSA-N 1 0 346.387 0.690 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000599214188 439384272 /nfs/dbraw/zinc/38/42/72/439384272.db2.gz VKJJFJVDMAVXCN-VIFPVBQESA-N 1 0 329.382 0.091 20 5 ECBDRO CC[NH+](CC)CCOCCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593576682 439411227 /nfs/dbraw/zinc/41/12/27/439411227.db2.gz RJHSTZSNPAKWDE-UHFFFAOYSA-N 1 0 346.409 0.627 20 5 ECBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599288321 439418928 /nfs/dbraw/zinc/41/89/28/439418928.db2.gz RFMUFDIJXHNQGP-QWRGUYRKSA-N 1 0 345.425 0.727 20 5 ECBDRO C[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCC[C@@H](C)C1 ZINC000583376446 439455564 /nfs/dbraw/zinc/45/55/64/439455564.db2.gz NYGRBXHIDKYEGA-VNHYZAJKSA-N 1 0 325.413 0.862 20 5 ECBDRO CCOC(=O)C[C@H](O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000599325920 439434571 /nfs/dbraw/zinc/43/45/71/439434571.db2.gz MJOTYEFKKCROBL-YPMHNXCESA-N 1 0 338.364 0.790 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594027992 439508950 /nfs/dbraw/zinc/50/89/50/439508950.db2.gz YIWYWGGLJBJRAS-UONOGXRCSA-N 1 0 334.376 0.593 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594198955 439525717 /nfs/dbraw/zinc/52/57/17/439525717.db2.gz WMEULGDLIZIONK-UONOGXRCSA-N 1 0 334.376 0.890 20 5 ECBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000583921713 439527065 /nfs/dbraw/zinc/52/70/65/439527065.db2.gz FUJHSANAXXBAMN-CQSZACIVSA-N 1 0 334.376 0.812 20 5 ECBDRO CNc1nccc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000594216666 439528149 /nfs/dbraw/zinc/52/81/49/439528149.db2.gz UVPZWKDNIAHETG-UHFFFAOYSA-N 1 0 342.359 1.389 20 5 ECBDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3ccnc(N)c3[N+](=O)[O-])CC2)C1 ZINC000594293583 439537629 /nfs/dbraw/zinc/53/76/29/439537629.db2.gz YCPCQUMUYNOFLN-GFCCVEGCSA-N 1 0 348.407 0.424 20 5 ECBDRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000599693061 439538836 /nfs/dbraw/zinc/53/88/36/439538836.db2.gz WAUZWBVWFWNIHO-LLVKDONJSA-N 1 0 331.398 0.053 20 5 ECBDRO CC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599705607 439540264 /nfs/dbraw/zinc/54/02/64/439540264.db2.gz XQXKEVLCQCXFGK-GXTWGEPZSA-N 1 0 325.369 0.143 20 5 ECBDRO CNc1nccc(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c1[N+](=O)[O-] ZINC000571895425 439541327 /nfs/dbraw/zinc/54/13/27/439541327.db2.gz STYGSEIXDSZRPM-LLVKDONJSA-N 1 0 337.380 0.608 20 5 ECBDRO COc1ccc(CC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594394630 439554587 /nfs/dbraw/zinc/55/45/87/439554587.db2.gz YVGHCSAXGBTOJI-QWHCGFSZSA-N 1 0 335.360 0.423 20 5 ECBDRO COc1cc(OCC(=O)N[C@H](C[NH3+])C(F)(F)F)ccc1[N+](=O)[O-] ZINC000594451859 439562348 /nfs/dbraw/zinc/56/23/48/439562348.db2.gz QOKOKRSXIZRZJB-SNVBAGLBSA-N 1 0 337.254 0.988 20 5 ECBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000594451642 439562653 /nfs/dbraw/zinc/56/26/53/439562653.db2.gz PXWZVJXKCLYCPY-XCBNKYQSSA-N 1 0 348.281 0.719 20 5 ECBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000609307119 439564281 /nfs/dbraw/zinc/56/42/81/439564281.db2.gz QYSUGJWAKJFOBE-ZDUSSCGKSA-N 1 0 335.364 0.477 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCCOC2CCOCC2)c1 ZINC000583807459 439513681 /nfs/dbraw/zinc/51/36/81/439513681.db2.gz MQWCDGLQBPDKIT-CYBMUJFWSA-N 1 0 328.369 0.328 20 5 ECBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCOCC[NH2+]C ZINC000599896578 439572047 /nfs/dbraw/zinc/57/20/47/439572047.db2.gz LDIFACNSZNZYLL-UHFFFAOYSA-N 1 0 338.364 0.448 20 5 ECBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000599935556 439578785 /nfs/dbraw/zinc/57/87/85/439578785.db2.gz JURWHJGWDMWYIZ-UONOGXRCSA-N 1 0 348.407 0.962 20 5 ECBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000599937692 439578933 /nfs/dbraw/zinc/57/89/33/439578933.db2.gz IAVSPIUOEDJFEG-MNOVXSKESA-N 1 0 349.343 0.605 20 5 ECBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000584458928 439590258 /nfs/dbraw/zinc/59/02/58/439590258.db2.gz BORITHCMVQJNOX-HNNXBMFYSA-N 1 0 333.392 0.784 20 5 ECBDRO Cc1c(Br)c(=O)n(C[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000594696988 439590959 /nfs/dbraw/zinc/59/09/59/439590959.db2.gz USBYCNPSVBRLKE-QMMMGPOBSA-N 1 0 332.154 0.816 20 5 ECBDRO C[NH+]1CCN(c2ccc(NC(=O)c3c[nH]nc3[N+](=O)[O-])nc2)CC1 ZINC000584522883 439596317 /nfs/dbraw/zinc/59/63/17/439596317.db2.gz PLJCAZORMJYZCH-UHFFFAOYSA-N 1 0 331.336 0.717 20 5 ECBDRO Cc1c(CC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000572735848 439606289 /nfs/dbraw/zinc/60/62/89/439606289.db2.gz FWVVGDGEVXOHIQ-STQMWFEESA-N 1 0 332.360 0.216 20 5 ECBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000610263315 439606811 /nfs/dbraw/zinc/60/68/11/439606811.db2.gz YEOWNWRZEIMEEQ-LLVKDONJSA-N 1 0 326.378 0.752 20 5 ECBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000572856911 439613217 /nfs/dbraw/zinc/61/32/17/439613217.db2.gz HTJDQUNAGSIXFO-NEPJUHHUSA-N 1 0 347.375 0.987 20 5 ECBDRO O=C(NCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000584776280 439615218 /nfs/dbraw/zinc/61/52/18/439615218.db2.gz RHLRJMRKFCIVJG-CQSZACIVSA-N 1 0 333.348 0.172 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)nc1 ZINC000595121418 439656446 /nfs/dbraw/zinc/65/64/46/439656446.db2.gz ZYIPHILUSZAQMR-SNVBAGLBSA-N 1 0 326.378 0.943 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H](O)[C@@H]2CCCO2)c1 ZINC000600761008 439700892 /nfs/dbraw/zinc/70/08/92/439700892.db2.gz VUXNKUKAYBVZPN-SNPRPXQTSA-N 1 0 326.349 0.464 20 5 ECBDRO Nc1cc(N2CC[C@H](C[NH+]3CCOCC3)C2)cc(CO)c1[N+](=O)[O-] ZINC000611525868 439703404 /nfs/dbraw/zinc/70/34/04/439703404.db2.gz LUQWOTRHCQJTDS-GFCCVEGCSA-N 1 0 336.392 0.828 20 5 ECBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000600807969 439704174 /nfs/dbraw/zinc/70/41/74/439704174.db2.gz GEDWNILTYAPJTP-NSHDSACASA-N 1 0 330.344 0.939 20 5 ECBDRO COc1cc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])cc1F ZINC000600535180 439674515 /nfs/dbraw/zinc/67/45/15/439674515.db2.gz QBWOQZXKSNSNLV-SECBINFHSA-N 1 0 327.312 0.539 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595222512 439675807 /nfs/dbraw/zinc/67/58/07/439675807.db2.gz KSPOBBGVGRZFQV-CQSZACIVSA-N 1 0 348.403 0.995 20 5 ECBDRO CC(C)OC[C@H]([NH3+])C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000595248903 439681946 /nfs/dbraw/zinc/68/19/46/439681946.db2.gz JLFFDVKFVOJUSU-HNNXBMFYSA-N 1 0 336.392 0.996 20 5 ECBDRO C[NH2+]C[C@@H](C)NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000595276211 439688298 /nfs/dbraw/zinc/68/82/98/439688298.db2.gz VVJASNMXPOEAEO-GFCCVEGCSA-N 1 0 349.391 0.670 20 5 ECBDRO CCO[C@@H]1C[C@@](CO)([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000249364666 320546006 /nfs/dbraw/zinc/54/60/06/320546006.db2.gz MFKIUVZJIJSEGQ-NFAWXSAZSA-N 1 0 342.396 0.308 20 5 ECBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)[NH+](C)C ZINC000281753057 320600419 /nfs/dbraw/zinc/60/04/19/320600419.db2.gz WANPHKUYWAYVQV-SNVBAGLBSA-N 1 0 338.364 0.998 20 5 ECBDRO CNC(=O)N[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000342365827 321086933 /nfs/dbraw/zinc/08/69/33/321086933.db2.gz VTSYZLFPRXXSTI-YPMHNXCESA-N 1 0 338.364 0.338 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1C(N)=O ZINC000345107557 321174532 /nfs/dbraw/zinc/17/45/32/321174532.db2.gz TUEMIGQCHOQCKS-LBPRGKRZSA-N 1 0 336.348 0.882 20 5 ECBDRO C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)[NH+](C)C ZINC000347245792 321235344 /nfs/dbraw/zinc/23/53/44/321235344.db2.gz IJZSYGSLUBSYFA-MNOVXSKESA-N 1 0 338.364 0.859 20 5 ECBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000347641931 321246818 /nfs/dbraw/zinc/24/68/18/321246818.db2.gz AFYFLEDGJBNQMM-NSHDSACASA-N 1 0 337.380 0.654 20 5 ECBDRO COc1ccc(S(=O)(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cc1[N+](=O)[O-] ZINC000368637224 321738868 /nfs/dbraw/zinc/73/88/68/321738868.db2.gz JYBWZLBIBMUWAY-IUCAKERBSA-N 1 0 333.341 0.582 20 5 ECBDRO COC[C@@H](C)OC[C@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373242235 321802976 /nfs/dbraw/zinc/80/29/76/321802976.db2.gz LMYOSTGYCZHBCG-TZMCWYRMSA-N 1 0 342.396 0.841 20 5 ECBDRO CN(C)CC[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000531888607 322047634 /nfs/dbraw/zinc/04/76/34/322047634.db2.gz IWIJRIKQCRUGIL-UHFFFAOYSA-N 1 0 335.408 0.993 20 5 ECBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000562824420 322286388 /nfs/dbraw/zinc/28/63/88/322286388.db2.gz DWJWKYHAIXPQRK-RISCZKNCSA-N 1 0 334.376 0.939 20 5 ECBDRO CSC1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCOCC1 ZINC000562997246 322292216 /nfs/dbraw/zinc/29/22/16/322292216.db2.gz WLOWCBCMGMDMKM-LBPRGKRZSA-N 1 0 330.410 0.654 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000563007291 322292524 /nfs/dbraw/zinc/29/25/24/322292524.db2.gz HXZCGFNBVGZYLK-VXGBXAGGSA-N 1 0 348.363 0.316 20 5 ECBDRO C[C@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000564852036 322399779 /nfs/dbraw/zinc/39/97/79/322399779.db2.gz UPCHJGHCGYZJOX-MNOVXSKESA-N 1 0 332.378 0.357 20 5 ECBDRO NC(=O)[C@@H]1CC[C@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])O1 ZINC000565359371 322451782 /nfs/dbraw/zinc/45/17/82/322451782.db2.gz VBWLWKSBYJGCPP-MFKMUULPSA-N 1 0 336.348 0.546 20 5 ECBDRO O=C1C[C@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000566132132 322504530 /nfs/dbraw/zinc/50/45/30/322504530.db2.gz SXTKYARYPPRIRR-IUODEOHRSA-N 1 0 349.387 0.935 20 5 ECBDRO CC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](O)C(F)(F)F ZINC000566231789 322515816 /nfs/dbraw/zinc/51/58/16/322515816.db2.gz UDNNZFLOXCBFRQ-UTLUCORTSA-N 1 0 326.275 0.444 20 5 ECBDRO C[NH+](C)CCOc1cnccc1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000569161628 322645414 /nfs/dbraw/zinc/64/54/14/322645414.db2.gz MXSHMKXGJXTHTG-UHFFFAOYSA-N 1 0 334.336 0.583 20 5 ECBDRO CN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@H](C[NH3+])C1CC1 ZINC000576226093 322803564 /nfs/dbraw/zinc/80/35/64/322803564.db2.gz PMSGKEYACRSUFF-CQSZACIVSA-N 1 0 330.348 0.985 20 5 ECBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)CCc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000576241913 322804009 /nfs/dbraw/zinc/80/40/09/322804009.db2.gz IUCZWXKPUCTKEV-UONOGXRCSA-N 1 0 332.360 0.298 20 5 ECBDRO CO[C@]1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCOC1 ZINC000580184371 322918165 /nfs/dbraw/zinc/91/81/65/322918165.db2.gz XJEUZGHOIZNIIL-DOMZBBRYSA-N 1 0 326.349 0.730 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2CCC3(C[NH+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000619251938 546310907 /nfs/dbraw/zinc/31/09/07/546310907.db2.gz VNHRVCMECPRKCE-UHFFFAOYSA-N 1 0 346.387 0.797 20 5 ECBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000758165643 579468023 /nfs/dbraw/zinc/46/80/23/579468023.db2.gz PZZBTSFAFJDWQU-CYBMUJFWSA-N 1 0 349.391 0.945 20 5 ECBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000733160140 578332925 /nfs/dbraw/zinc/33/29/25/578332925.db2.gz NYDBAOUCCREMOX-ZDUSSCGKSA-N 1 0 337.380 0.551 20 5 ECBDRO C[N@H+](CCO)C1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000736801343 578453369 /nfs/dbraw/zinc/45/33/69/578453369.db2.gz IJRXIWZEJTVAHL-UHFFFAOYSA-N 1 0 347.379 0.668 20 5 ECBDRO CN(CC1CC[NH+](C)CC1)c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736847689 578456888 /nfs/dbraw/zinc/45/68/88/578456888.db2.gz JCEDXWBFRNLUDP-UHFFFAOYSA-N 1 0 332.368 0.948 20 5 ECBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](CCO)CC2)c(-c2nn[nH]n2)c1 ZINC000738370357 579624744 /nfs/dbraw/zinc/62/47/44/579624744.db2.gz OQOMQSFGYACLCX-UHFFFAOYSA-N 1 0 333.352 0.644 20 5 ECBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]([NH+]3CCCC3)C2)c(-c2nn[nH]n2)c1 ZINC000738370660 579624771 /nfs/dbraw/zinc/62/47/71/579624771.db2.gz XMKZFZJVUZJCNF-SNVBAGLBSA-N 1 0 330.352 0.844 20 5 ECBDRO CCC[C@@H]1CN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC[NH2+]1 ZINC000895059074 586159071 /nfs/dbraw/zinc/15/90/71/586159071.db2.gz RBCQLMGJJAVWFI-GFCCVEGCSA-N 1 0 336.396 0.800 20 5 ECBDRO CN1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@H+](C)CC1 ZINC000888980988 586241259 /nfs/dbraw/zinc/24/12/59/586241259.db2.gz WYOUIFGCBGSCNH-UHFFFAOYSA-N 1 0 338.383 0.982 20 5 ECBDRO COC(=O)Nc1ccc(S(=O)(=O)N[C@H]2C[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000842801384 589037149 /nfs/dbraw/zinc/03/71/49/589037149.db2.gz JGVRTWIOZIOCGI-OCAPTIKFSA-N 1 0 344.349 0.541 20 5 ECBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000896566926 586256241 /nfs/dbraw/zinc/25/62/41/586256241.db2.gz FGBYQBYOSFPDJO-NHYWBVRUSA-N 1 0 336.392 0.968 20 5 ECBDRO C[C@@H](C[NH2+]Cc1cn(C)c(=O)n(C)c1=O)c1ccccc1[N+](=O)[O-] ZINC000897469371 586327575 /nfs/dbraw/zinc/32/75/75/586327575.db2.gz JDEGVSXEBUEQIZ-NSHDSACASA-N 1 0 332.360 0.886 20 5 ECBDRO COc1ccc(CNC(=O)C2CN(C)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000906356213 586945037 /nfs/dbraw/zinc/94/50/37/586945037.db2.gz PJCHCFAVOPOXPQ-UHFFFAOYSA-N 1 0 336.392 0.713 20 5 ECBDRO Cc1cc(NC[C@H]2CC(C(N)=O)=NO2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000808042964 587142686 /nfs/dbraw/zinc/14/26/86/587142686.db2.gz DPQDUVZIYBOYML-SNVBAGLBSA-N 1 0 329.316 0.915 20 5 ECBDRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000817993601 587395542 /nfs/dbraw/zinc/39/55/42/587395542.db2.gz NGADRCUPRFPDBV-LBPRGKRZSA-N 1 0 349.391 0.049 20 5 ECBDRO CC(C)NS(=O)(=O)CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818984262 587463561 /nfs/dbraw/zinc/46/35/61/587463561.db2.gz CACKNHWOXKPZNY-ZDUSSCGKSA-N 1 0 331.394 0.546 20 5 ECBDRO CS(=O)(=O)N1CC(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819248564 587473759 /nfs/dbraw/zinc/47/37/59/587473759.db2.gz WCCDMDHGGLBUTM-ZDUSSCGKSA-N 1 0 329.378 0.109 20 5 ECBDRO NC(=O)C1=NO[C@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000819254216 587474620 /nfs/dbraw/zinc/47/46/20/587474620.db2.gz UODJMJYRXHEWFN-VIFPVBQESA-N 1 0 335.320 0.143 20 5 ECBDRO CC[N@H+](C)C[C@H]1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821164539 587576185 /nfs/dbraw/zinc/57/61/85/587576185.db2.gz GUCAJZQDUQDSCA-SNVBAGLBSA-N 1 0 332.368 0.948 20 5 ECBDRO CO[C@@H](C[NH3+])Cc1nc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)no1 ZINC000823258210 587712827 /nfs/dbraw/zinc/71/28/27/587712827.db2.gz ADEWIGMDVSROPK-SNVBAGLBSA-N 1 0 345.319 0.742 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@]23OCCC[C@H]2C3(F)F)c1 ZINC000849329212 589325793 /nfs/dbraw/zinc/32/57/93/589325793.db2.gz CXPNXVQBNRKSHQ-UTUOFQBUSA-N 1 0 332.307 0.556 20 5 ECBDRO COC(=O)N(C)CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000853119805 589532680 /nfs/dbraw/zinc/53/26/80/589532680.db2.gz YRWOZCOODVJOIR-LLVKDONJSA-N 1 0 327.337 0.622 20 5 ECBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000856253003 589657927 /nfs/dbraw/zinc/65/79/27/589657927.db2.gz CUYMNRZUUQSSBY-ZDUSSCGKSA-N 1 0 334.376 0.848 20 5 ECBDRO CN1CCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000857765344 589704252 /nfs/dbraw/zinc/70/42/52/589704252.db2.gz FJSHVKDONNVPEG-NSHDSACASA-N 1 0 344.318 0.668 20 5 ECBDRO [NH3+]C[C@H]1CN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CCO1 ZINC000857766154 589704332 /nfs/dbraw/zinc/70/43/32/589704332.db2.gz KNANBMAZADANQS-NSHDSACASA-N 1 0 331.275 0.753 20 5 ECBDRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000866708711 589760556 /nfs/dbraw/zinc/76/05/56/589760556.db2.gz 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HTSJFARKVAHMSB-SNVBAGLBSA-N 1 0 346.434 0.325 20 5 ECBDRO CN(CC[N@H+](C)CCO)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000912607909 609977326 /nfs/dbraw/zinc/97/73/26/609977326.db2.gz AFWYIGAAPXKSSO-UHFFFAOYSA-N 1 0 329.328 0.495 20 5 ECBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN(C2C[NH+](CC3=CCCCC3)C2)CC1 ZINC000941407206 610721947 /nfs/dbraw/zinc/72/19/47/610721947.db2.gz MUSPGQNLUDZLRZ-IAGOWNOFSA-N 1 0 348.447 0.980 20 5 ECBDRO O=C1[C@H](N2CCC[C@@H]([NH2+]CCO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000923407290 611239682 /nfs/dbraw/zinc/23/96/82/611239682.db2.gz LDWWKCDBMBLCKO-CZUORRHYSA-N 1 0 348.403 0.746 20 5 ECBDRO CS[C@H]1CN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000935113883 611843640 /nfs/dbraw/zinc/84/36/40/611843640.db2.gz QUDVYJFKIZMWQV-QWRGUYRKSA-N 1 0 327.410 0.604 20 5 ECBDRO CN(C(=O)c1ccn2c[nH+]cc2c1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000954882980 612761698 /nfs/dbraw/zinc/76/16/98/612761698.db2.gz BXHFMDPIDDTFBF-ZIAGYGMSSA-N 1 0 343.343 0.282 20 5 ECBDRO 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743900742 /nfs/dbraw/zinc/90/07/42/743900742.db2.gz LSDYVDDPIPPYCS-UHFFFAOYSA-N 1 0 348.363 0.958 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CC1CCN(C(=O)c2cnon2)CC1 ZINC000998159478 744016021 /nfs/dbraw/zinc/01/60/21/744016021.db2.gz BEEYCVCNUVGEEZ-UHFFFAOYSA-N 1 0 349.351 0.353 20 5 ECBDRO NC(=O)c1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC000983649116 744992822 /nfs/dbraw/zinc/99/28/22/744992822.db2.gz NZQQARLMIDLOLY-NMFUWQPSSA-N 1 0 346.387 0.435 20 5 ECBDRO O=C(NCC1CN(C(=O)c2ccc3c[nH+]cn3c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001806782 746737614 /nfs/dbraw/zinc/73/76/14/746737614.db2.gz YSZSHUQSHRRXFQ-ZIAGYGMSSA-N 1 0 343.343 0.188 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C[C@H]1C[C@H](NC(=O)c2ccncn2)C1 ZINC000984934819 747138670 /nfs/dbraw/zinc/13/86/70/747138670.db2.gz RHLZUZCINPQBBW-XYPYZODXSA-N 1 0 345.363 0.417 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C[C@H]1C[C@H](NC(=O)c2ncccn2)C1 ZINC000984944244 747152370 /nfs/dbraw/zinc/15/23/70/747152370.db2.gz LUYBGWLMAVXLSN-XYPYZODXSA-N 1 0 345.363 0.417 20 5 ECBDRO O=C(NC1CC[NH+](CCCN2CCCC2=O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002784205 747782121 /nfs/dbraw/zinc/78/21/21/747782121.db2.gz HLIOUKCGCZHSKO-ZIAGYGMSSA-N 1 0 338.408 0.245 20 5 ECBDRO Cc1cccc(C)c1NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936964 756768354 /nfs/dbraw/zinc/76/83/54/756768354.db2.gz YWTDRLLFNLPNBQ-CHWSQXEVSA-N 1 0 334.376 0.613 20 5 ECBDRO Cc1ccccc1CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126943530 756907172 /nfs/dbraw/zinc/90/71/72/756907172.db2.gz PZZCCRBNDMVOIW-HUUCEWRRSA-N 1 0 348.403 0.025 20 5 ECBDRO CCCCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])nn2)C1 ZINC001107167531 757234472 /nfs/dbraw/zinc/23/44/72/757234472.db2.gz ANTVITJDEPLZNJ-ZIAGYGMSSA-N 1 0 336.396 0.606 20 5 ECBDRO Cc1ocnc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001021878485 758009740 /nfs/dbraw/zinc/00/97/40/758009740.db2.gz NKGOCZACLAGLMW-AOOOYVTPSA-N 1 0 334.336 0.675 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)c2ccnnc2)C1 ZINC001022762302 759088127 /nfs/dbraw/zinc/08/81/27/759088127.db2.gz SHKPPZSTQRETCV-PHIMTYICSA-N 1 0 331.336 0.169 20 5 ECBDRO NC(=O)C(=O)N1CC2(C1)CC[NH+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC001050642177 760618126 /nfs/dbraw/zinc/61/81/26/760618126.db2.gz ATQDXUFVAYAWLQ-UHFFFAOYSA-N 1 0 332.360 0.505 20 5 ECBDRO CN(CCOCCNc1ccc([N+](=O)[O-])cn1)C(=O)Cc1cnc[nH]1 ZINC001127504867 771379593 /nfs/dbraw/zinc/37/95/93/771379593.db2.gz FLRYJNYQXKVWIV-UHFFFAOYSA-N 1 0 348.363 0.843 20 5 ECBDRO O=C(CN1CCCC1=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001019979461 772050370 /nfs/dbraw/zinc/05/03/70/772050370.db2.gz OVYWHYUXTXYIEY-HDJSIYSDSA-N 1 0 346.387 0.954 20 5 ECBDRO O=C(CN1CCOCC1)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001020081531 772136366 /nfs/dbraw/zinc/13/63/66/772136366.db2.gz IPGPHWCJKCJEKB-SHTZXODSSA-N 1 0 348.403 0.664 20 5 ECBDRO Cc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)cnn1 ZINC001020104860 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/nfs/dbraw/zinc/23/27/12/210232712.db2.gz BDOHZCUZLWGKMG-NXEZZACHSA-N 1 0 329.382 0.184 20 5 ECBDRO CNC(=O)[C@H](C)C[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181944426 529913431 /nfs/dbraw/zinc/91/34/31/529913431.db2.gz OBNVJJHDLKTWCS-NEPJUHHUSA-N 1 0 325.365 0.648 20 5 ECBDRO C[C@H]1C[NH2+]CCN1C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000126407302 222696790 /nfs/dbraw/zinc/69/67/90/222696790.db2.gz QOFOAQOHXYGQPV-VIFPVBQESA-N 1 0 340.767 0.798 20 5 ECBDRO CNC(=O)CC[N@H+](C)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000355739544 299296355 /nfs/dbraw/zinc/29/63/55/299296355.db2.gz SJKKDBPKLZIDSI-UHFFFAOYSA-N 1 0 339.348 0.715 20 5 ECBDRO Cc1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCN2C)c([N+](=O)[O-])c1 ZINC000420449250 209369087 /nfs/dbraw/zinc/36/90/87/209369087.db2.gz FYDJWDWBJQWDST-NSHDSACASA-N 1 0 328.394 0.085 20 5 ECBDRO C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000429224065 283586082 /nfs/dbraw/zinc/58/60/82/283586082.db2.gz YANFBMLOADDXFY-QWRGUYRKSA-N 1 0 338.364 0.764 20 5 ECBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420352222 209356820 /nfs/dbraw/zinc/35/68/20/209356820.db2.gz ZFCFBYQKDPSMCD-BBRMVZONSA-N 1 0 347.419 0.901 20 5 ECBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000420155122 209324097 /nfs/dbraw/zinc/32/40/97/209324097.db2.gz DWDAFINCWQVKBG-IAQYHMDHSA-N 1 0 346.387 0.736 20 5 ECBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000420120824 209313330 /nfs/dbraw/zinc/31/33/30/209313330.db2.gz OVVLIQRYYDMVEC-ABAIWWIYSA-N 1 0 346.387 0.594 20 5 ECBDRO C[NH+](C)CCN1C[C@@H](C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000073032586 216341991 /nfs/dbraw/zinc/34/19/91/216341991.db2.gz FTVQLGMGJQPVBH-AWEZNQCLSA-N 1 0 348.403 0.664 20 5 ECBDRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000419987180 209269629 /nfs/dbraw/zinc/26/96/29/209269629.db2.gz DEBPYJCWMYLEES-SNVBAGLBSA-N 1 0 336.348 0.038 20 5 ECBDRO CCC[NH2+]CCNC(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000419912866 209246447 /nfs/dbraw/zinc/24/64/47/209246447.db2.gz XQUZMMJOZPHOAY-UHFFFAOYSA-N 1 0 336.392 0.712 20 5 ECBDRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000419919729 209248730 /nfs/dbraw/zinc/24/87/30/209248730.db2.gz VYFJKMATWMYJQC-LBPRGKRZSA-N 1 0 346.387 0.595 20 5 ECBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419857500 209227574 /nfs/dbraw/zinc/22/75/74/209227574.db2.gz GJFSFUVPERHBHC-AWEZNQCLSA-N 1 0 334.376 0.449 20 5 ECBDRO COCC[NH2+]CCNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000193365063 240134202 /nfs/dbraw/zinc/13/42/02/240134202.db2.gz DPGJYMZLCZYIHT-UHFFFAOYSA-N 1 0 331.394 0.726 20 5 ECBDRO C[C@H]1[NH2+]CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)[C@@H]1C ZINC000262749873 245159699 /nfs/dbraw/zinc/15/96/99/245159699.db2.gz GMWRZHPVTXWWSD-GHMZBOCLSA-N 1 0 330.348 0.998 20 5 ECBDRO C[NH+](C)CCN1C[C@@H](C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1=O ZINC000089303129 217784300 /nfs/dbraw/zinc/78/43/00/217784300.db2.gz ONMRATRTJGKMFJ-AWEZNQCLSA-N 1 0 348.403 0.664 20 5 ECBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000450622535 211336773 /nfs/dbraw/zinc/33/67/73/211336773.db2.gz KDLHKIIUMKZGRR-INIZCTEOSA-N 1 0 345.359 0.577 20 5 ECBDRO COc1ccc(NC(=O)C[NH2+][C@@H](CO)[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000447905843 211214624 /nfs/dbraw/zinc/21/46/24/211214624.db2.gz VOGXAXKPXBPQRK-GXTWGEPZSA-N 1 0 339.348 0.671 20 5 ECBDRO CCn1cc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])n1 ZINC000447246590 211177016 /nfs/dbraw/zinc/17/70/16/211177016.db2.gz POBSZOKMZPNTDI-HBNTYKKESA-N 1 0 343.409 0.559 20 5 ECBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000153306769 224085738 /nfs/dbraw/zinc/08/57/38/224085738.db2.gz ZFEPYQIIKJDFDM-INIZCTEOSA-N 1 0 347.375 0.823 20 5 ECBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)NCC2=CC[NH2+]CC2)cc1 ZINC000420441410 209366821 /nfs/dbraw/zinc/36/68/21/209366821.db2.gz VRZYYMZVJJEIJW-UHFFFAOYSA-N 1 0 325.390 0.976 20 5 ECBDRO [NH3+]CC1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000430637194 210393037 /nfs/dbraw/zinc/39/30/37/210393037.db2.gz KSUUNLLBHPIMSY-UHFFFAOYSA-N 1 0 336.348 0.933 20 5 ECBDRO COc1ccc(NC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000415590768 208551970 /nfs/dbraw/zinc/55/19/70/208551970.db2.gz HCMVHJPGYVTMOM-INIZCTEOSA-N 1 0 348.359 0.754 20 5 ECBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000415564323 208543443 /nfs/dbraw/zinc/54/34/43/208543443.db2.gz SPDHKJDSUGXZOA-UHFFFAOYSA-N 1 0 336.348 0.930 20 5 ECBDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000153472660 224109952 /nfs/dbraw/zinc/10/99/52/224109952.db2.gz XYADGOXYLDBKPQ-OAHLLOKOSA-N 1 0 348.363 0.218 20 5 ECBDRO C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+](C2CCC2)C1 ZINC000429351661 210314804 /nfs/dbraw/zinc/31/48/04/210314804.db2.gz FWKZQKCPFNBWJV-CZUORRHYSA-N 1 0 337.424 0.958 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000415820976 208583550 /nfs/dbraw/zinc/58/35/50/208583550.db2.gz DNJBUDPSVGERDV-UHFFFAOYSA-N 1 0 336.348 0.752 20 5 ECBDRO C[NH2+]C[C@@H](C)CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000429221828 210306604 /nfs/dbraw/zinc/30/66/04/210306604.db2.gz OTQOXVODVZHNDE-LLVKDONJSA-N 1 0 337.380 0.366 20 5 ECBDRO Cc1cc(=O)c(C(=O)N2CC[C@H]([NH3+])C2)nn1-c1ccccc1[N+](=O)[O-] ZINC000428943661 210290050 /nfs/dbraw/zinc/29/00/50/210290050.db2.gz GAFVBXXOIYYMDL-NSHDSACASA-N 1 0 343.343 0.622 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])n1 ZINC000428866608 210286603 /nfs/dbraw/zinc/28/66/03/210286603.db2.gz JSPFHEYGKJBMER-NSHDSACASA-N 1 0 345.425 0.916 20 5 ECBDRO [NH3+]C[C@@H]1CCCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000428637774 210275967 /nfs/dbraw/zinc/27/59/67/210275967.db2.gz FLXAIDHPEWQCEB-NSHDSACASA-N 1 0 348.359 0.518 20 5 ECBDRO CN1CC[NH2+]C[C@H]1CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418083538 208773773 /nfs/dbraw/zinc/77/37/73/208773773.db2.gz LRPMDYYAPMPKIQ-NSHDSACASA-N 1 0 347.379 0.174 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000418954059 208923520 /nfs/dbraw/zinc/92/35/20/208923520.db2.gz XBHHXSIAWLQKIL-LBPRGKRZSA-N 1 0 336.348 0.073 20 5 ECBDRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1[NH3+] ZINC000419132549 208991527 /nfs/dbraw/zinc/99/15/27/208991527.db2.gz BRUPDAGFTONTJR-PELKAZGASA-N 1 0 340.767 0.670 20 5 ECBDRO C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000419158085 209005076 /nfs/dbraw/zinc/00/50/76/209005076.db2.gz XKUNFNFYYSGBLM-IJLUTSLNSA-N 1 0 334.376 0.981 20 5 ECBDRO C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000419158084 209005109 /nfs/dbraw/zinc/00/51/09/209005109.db2.gz XKUNFNFYYSGBLM-GRYCIOLGSA-N 1 0 334.376 0.981 20 5 ECBDRO [NH3+][C@@H]1CCN(C(=O)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000419168015 209009336 /nfs/dbraw/zinc/00/93/36/209009336.db2.gz RILMJUMDJAYZEB-SECBINFHSA-N 1 0 326.740 0.424 20 5 ECBDRO Cn1cc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 ZINC000116922602 221011270 /nfs/dbraw/zinc/01/12/70/221011270.db2.gz JJPOBFALGXHQLW-UHFFFAOYSA-N 1 0 339.377 0.396 20 5 ECBDRO CC[NH2+][C@H](C)CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262506419 285621992 /nfs/dbraw/zinc/62/19/92/285621992.db2.gz ZZHPMUZPPVBWMM-SECBINFHSA-N 1 0 345.377 0.642 20 5 ECBDRO COc1cc(S(=O)(=O)N2CC[NH2+][C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000262759113 286244508 /nfs/dbraw/zinc/24/45/08/286244508.db2.gz IWHJWJHMUZHDPT-NXEZZACHSA-N 1 0 329.378 0.974 20 5 ECBDRO CO[C@@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000359052930 299784662 /nfs/dbraw/zinc/78/46/62/299784662.db2.gz HGCUNKYHZSIPSY-LSDHHAIUSA-N 1 0 336.392 0.996 20 5 ECBDRO COC[C@@](C)(CCO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273296711 296778496 /nfs/dbraw/zinc/77/84/96/296778496.db2.gz GJTWMLASALIIRE-CQSZACIVSA-N 1 0 346.405 0.746 20 5 ECBDRO Cc1cc(S(=O)(=O)NCCN2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000178896135 164923080 /nfs/dbraw/zinc/92/30/80/164923080.db2.gz QAOIIEDNIXEEBW-UHFFFAOYSA-N 1 0 328.394 0.087 20 5 ECBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000183626293 164956759 /nfs/dbraw/zinc/95/67/59/164956759.db2.gz UTUYWMCPXKYZNU-LLVKDONJSA-N 1 0 336.396 0.328 20 5 ECBDRO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CC[NH+]2CCC1CC2 ZINC000188821058 165002288 /nfs/dbraw/zinc/00/22/88/165002288.db2.gz QNHLCRZUZJYSLU-UHFFFAOYSA-N 1 0 332.360 0.631 20 5 ECBDRO NC(=O)C[C@@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000245409414 165104200 /nfs/dbraw/zinc/10/42/00/165104200.db2.gz MCSQZSXVCFMDKG-JSGCOSHPSA-N 1 0 337.376 0.922 20 5 ECBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC[C@H]21 ZINC000247977403 165168136 /nfs/dbraw/zinc/16/81/36/165168136.db2.gz HXYHKEUADOBBCY-GXTWGEPZSA-N 1 0 334.376 0.699 20 5 ECBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000261897337 165259153 /nfs/dbraw/zinc/25/91/53/165259153.db2.gz WEQAKAKYWFXJLC-NXEZZACHSA-N 1 0 341.389 0.808 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000262364140 165339046 /nfs/dbraw/zinc/33/90/46/165339046.db2.gz WRNPJWMIXJVYJM-KOLCDFICSA-N 1 0 329.378 0.961 20 5 ECBDRO C[C@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000262602792 165367609 /nfs/dbraw/zinc/36/76/09/165367609.db2.gz QJDOFGOZVJFGGT-JTQLQIEISA-N 1 0 334.332 0.141 20 5 ECBDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000165401039 226123535 /nfs/dbraw/zinc/12/35/35/226123535.db2.gz OOLAHCGQPVPIHY-CQSZACIVSA-N 1 0 345.421 0.369 20 5 ECBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1C(=O)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359405286 299847559 /nfs/dbraw/zinc/84/75/59/299847559.db2.gz HEZPSSFADCDLTK-SRVKXCTJSA-N 1 0 348.359 0.470 20 5 ECBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1(O)CC[NH+](C)CC1 ZINC000269844631 263208075 /nfs/dbraw/zinc/20/80/75/263208075.db2.gz YYLXNJYULUOMRN-UHFFFAOYSA-N 1 0 343.405 0.638 20 5 ECBDRO CS[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000275155497 263558698 /nfs/dbraw/zinc/55/86/98/263558698.db2.gz SXNLXLXVTNDBFC-CMPLNLGQSA-N 1 0 339.421 0.980 20 5 ECBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)NCC1CC[NH+](C2CC2)CC1 ZINC000278223992 263822772 /nfs/dbraw/zinc/82/27/72/263822772.db2.gz SMRGHCVXBKFSLT-UHFFFAOYSA-N 1 0 336.396 0.965 20 5 ECBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000296785078 265116340 /nfs/dbraw/zinc/11/63/40/265116340.db2.gz QLBQFBOVHTUGOH-LBPRGKRZSA-N 1 0 343.384 0.609 20 5 ECBDRO CO[C@H](C)C[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420973077 274074232 /nfs/dbraw/zinc/07/42/32/274074232.db2.gz LSTBEIOKFCNLMX-LLVKDONJSA-N 1 0 331.394 0.840 20 5 ECBDRO C[C@@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1C[NH2+]C1 ZINC000422951002 274247202 /nfs/dbraw/zinc/24/72/02/274247202.db2.gz ZJZMONUUWWADCE-SNVBAGLBSA-N 1 0 328.394 0.071 20 5 ECBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000264383390 277047329 /nfs/dbraw/zinc/04/73/29/277047329.db2.gz FSXNOEVXUOVSDH-LBPRGKRZSA-N 1 0 335.412 0.573 20 5 ECBDRO C[C@@H](C[NH3+])NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000262544859 278250201 /nfs/dbraw/zinc/25/02/01/278250201.db2.gz UNALDRGHFMPGFP-DTWKUNHWSA-N 1 0 326.378 0.724 20 5 ECBDRO C[C@@H]1[NH2+]CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@H]1C ZINC000262744047 279037540 /nfs/dbraw/zinc/03/75/40/279037540.db2.gz JIQZEOSFJXBKDG-QWRGUYRKSA-N 1 0 330.348 0.998 20 5 ECBDRO Nc1c(C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])cccc1[N+](=O)[O-] ZINC000262729655 279624935 /nfs/dbraw/zinc/62/49/35/279624935.db2.gz BFUVYHTWWPFDFB-LLVKDONJSA-N 1 0 349.391 0.637 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000262290647 295195097 /nfs/dbraw/zinc/19/50/97/295195097.db2.gz NCPBYFMPCBIXHV-VHSXEESVSA-N 1 0 329.378 0.961 20 5 ECBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000337461601 297190193 /nfs/dbraw/zinc/19/01/93/297190193.db2.gz PTVAICSSPOFDPP-INIZCTEOSA-N 1 0 334.376 0.978 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)c1 ZINC000339762929 297380886 /nfs/dbraw/zinc/38/08/86/297380886.db2.gz BFVQNTZXVPVJGD-QLFBSQMISA-N 1 0 340.380 0.062 20 5 ECBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000349269008 298662469 /nfs/dbraw/zinc/66/24/69/298662469.db2.gz RXCDXLWGTGLBMK-CQSZACIVSA-N 1 0 339.396 0.751 20 5 ECBDRO C[C@H](CC[NH3+])NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000349933435 298693144 /nfs/dbraw/zinc/69/31/44/298693144.db2.gz FBGQTVBPSQHKPR-MRVPVSSYSA-N 1 0 326.378 0.639 20 5 ECBDRO O=C(NCCNc1cc[nH+]cc1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000353117836 299014614 /nfs/dbraw/zinc/01/46/14/299014614.db2.gz WFHGKHXOGHILKM-UHFFFAOYSA-N 1 0 330.300 0.982 20 5 ECBDRO COC(=O)COc1ccc(C[NH2+]C[C@@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000353209270 299022455 /nfs/dbraw/zinc/02/24/55/299022455.db2.gz SHJXCIWYRMFVCS-HNNXBMFYSA-N 1 0 340.332 0.388 20 5 ECBDRO CC(C)(O)C[N@@H+]1CCCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000363988611 300314202 /nfs/dbraw/zinc/31/42/02/300314202.db2.gz XQNYZEFUBDZOKG-UHFFFAOYSA-N 1 0 334.380 0.921 20 5 ECBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CCO1 ZINC000364159249 300330442 /nfs/dbraw/zinc/33/04/42/300330442.db2.gz FZVQKHKZYZAJSE-CYBMUJFWSA-N 1 0 334.376 0.995 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000368368901 300662641 /nfs/dbraw/zinc/66/26/41/300662641.db2.gz FDSLZJOPNCBOPB-WHOFXGATSA-N 1 0 346.387 0.924 20 5 ECBDRO COc1cc(S(=O)(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)ccc1[N+](=O)[O-] ZINC000370729978 300856098 /nfs/dbraw/zinc/85/60/98/300856098.db2.gz LEWQMBPMAFOSAK-IUCAKERBSA-N 1 0 333.341 0.582 20 5 ECBDRO CCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000072561669 436048880 /nfs/dbraw/zinc/04/88/80/436048880.db2.gz AALKURWAIQRETG-YPMHNXCESA-N 1 0 346.409 0.051 20 5 ECBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cn2cnc([N+](=O)[O-])c2)C1 ZINC000026981659 436170834 /nfs/dbraw/zinc/17/08/34/436170834.db2.gz PSJIENPFZPAANR-GFCCVEGCSA-N 1 0 325.369 0.264 20 5 ECBDRO Nc1nc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)ncc1[N+](=O)[O-] ZINC000076267977 436197907 /nfs/dbraw/zinc/19/79/07/436197907.db2.gz QBDLCNXYBVDYCD-CYBMUJFWSA-N 1 0 344.375 0.798 20 5 ECBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)/C=C\c3ccc(F)cc3[N+](=O)[O-])CCN2C1=O ZINC000493477794 301537846 /nfs/dbraw/zinc/53/78/46/301537846.db2.gz BGTHSDJMSLUFSU-UZMLQMNBSA-N 1 0 348.334 0.518 20 5 ECBDRO CC[NH+]1CCN(CC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000081371079 436344147 /nfs/dbraw/zinc/34/41/47/436344147.db2.gz RYYODEWWSPFXES-UHFFFAOYSA-N 1 0 336.392 0.727 20 5 ECBDRO CC(C)(C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000519558494 301745879 /nfs/dbraw/zinc/74/58/79/301745879.db2.gz VFIFTLWAFQZCQU-KGLIPLIRSA-N 1 0 346.387 0.643 20 5 ECBDRO Cn1ccnc1C[C@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000090003679 436425221 /nfs/dbraw/zinc/42/52/21/436425221.db2.gz RWHZIGKHXSBAMQ-HIFRSBDPSA-N 1 0 348.407 0.840 20 5 ECBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000535834988 302130140 /nfs/dbraw/zinc/13/01/40/302130140.db2.gz BKSCDFICSNPRFY-NSHDSACASA-N 1 0 327.385 0.459 20 5 ECBDRO C[C@H](CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000063733186 436644912 /nfs/dbraw/zinc/64/49/12/436644912.db2.gz IBKSYVUAGXMPAE-GFCCVEGCSA-N 1 0 334.376 0.925 20 5 ECBDRO C[NH+](C)C1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000063735161 436645456 /nfs/dbraw/zinc/64/54/56/436645456.db2.gz FCWJDMXOJWRAGH-UHFFFAOYSA-N 1 0 334.376 0.877 20 5 ECBDRO CS[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1[NH+](C)C ZINC000272101148 436703973 /nfs/dbraw/zinc/70/39/73/436703973.db2.gz ZOXBLRJQYJXQII-OLZOCXBDSA-N 1 0 326.422 0.734 20 5 ECBDRO C[N@H+](CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C1CC1 ZINC000067147669 436706217 /nfs/dbraw/zinc/70/62/17/436706217.db2.gz SJVJCGKHEKVQGM-UHFFFAOYSA-N 1 0 330.348 1.000 20 5 ECBDRO C[NH+](C)[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccc(F)cc1 ZINC000065497493 436664759 /nfs/dbraw/zinc/66/47/59/436664759.db2.gz JXQZUTHNUFRTCK-LBPRGKRZSA-N 1 0 336.327 0.745 20 5 ECBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000139186158 436665077 /nfs/dbraw/zinc/66/50/77/436665077.db2.gz IWRYNAIPAONENM-BXUZGUMPSA-N 1 0 334.376 0.924 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000237191389 436727236 /nfs/dbraw/zinc/72/72/36/436727236.db2.gz IIMJDBRZDQOOQZ-SNVBAGLBSA-N 1 0 329.378 0.881 20 5 ECBDRO C[C@@H](C[NH3+])N(C)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000237424230 436734075 /nfs/dbraw/zinc/73/40/75/436734075.db2.gz JSLPZHZDGDBWSU-QMMMGPOBSA-N 1 0 328.756 0.784 20 5 ECBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C1CC[NH2+]CC1 ZINC000237550002 436738256 /nfs/dbraw/zinc/73/82/56/436738256.db2.gz VJRAVOHUKNOUJX-LLVKDONJSA-N 1 0 334.376 0.924 20 5 ECBDRO Cc1sc(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc1[N+](=O)[O-] ZINC000237696674 436742941 /nfs/dbraw/zinc/74/29/41/436742941.db2.gz KVARKWGLKLCSRQ-JTQLQIEISA-N 1 0 340.405 0.892 20 5 ECBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000237891655 436747928 /nfs/dbraw/zinc/74/79/28/436747928.db2.gz KLNKHIIYUGLIIT-CYBMUJFWSA-N 1 0 334.376 0.451 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCS[C@H]3COCC[C@H]32)c1 ZINC000247324955 436793800 /nfs/dbraw/zinc/79/38/00/436793800.db2.gz WLKXVEGLVRZANR-UPJWGTAASA-N 1 0 328.394 0.359 20 5 ECBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000131140390 436848256 /nfs/dbraw/zinc/84/82/56/436848256.db2.gz IEHSHEZTTRQRBL-CQSZACIVSA-N 1 0 336.396 0.205 20 5 ECBDRO CN(C[C@H](O)CN1CCOCC1)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255558956 436853138 /nfs/dbraw/zinc/85/31/38/436853138.db2.gz ONZFQOCSCGMSMT-XHPSBEMXSA-N 1 0 349.387 0.760 20 5 ECBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H](O)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC000274460073 436828901 /nfs/dbraw/zinc/82/89/01/436828901.db2.gz HHDWZKFNEOISNO-QWRGUYRKSA-N 1 0 339.348 0.360 20 5 ECBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000130387163 436837115 /nfs/dbraw/zinc/83/71/15/436837115.db2.gz JEYWTTPHPCRHEI-DGCLKSJQSA-N 1 0 334.376 0.971 20 5 ECBDRO Cc1ccc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000161441500 436891212 /nfs/dbraw/zinc/89/12/12/436891212.db2.gz HUIPEVHFFVOBHA-CYBMUJFWSA-N 1 0 331.394 0.494 20 5 ECBDRO C[NH+](C)C1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000135022576 436908393 /nfs/dbraw/zinc/90/83/93/436908393.db2.gz ZZVRHPBRGHALJK-NSHDSACASA-N 1 0 336.348 0.565 20 5 ECBDRO Cc1c(C(=O)N2CC([NH+](C)C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000134990768 436908453 /nfs/dbraw/zinc/90/84/53/436908453.db2.gz PIVAYIMNQVLITP-UHFFFAOYSA-N 1 0 330.348 0.870 20 5 ECBDRO Cc1nn(CCC(=O)NCCN2CC[NH+](C)CC2)c(C)c1[N+](=O)[O-] ZINC000171099430 436967587 /nfs/dbraw/zinc/96/75/87/436967587.db2.gz FEJCKAZMDJIBPW-UHFFFAOYSA-N 1 0 338.412 0.162 20 5 ECBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)C[NH+](C)C ZINC000294054802 436929648 /nfs/dbraw/zinc/92/96/48/436929648.db2.gz GNFXEIDBKGDSAM-SNVBAGLBSA-N 1 0 343.405 0.926 20 5 ECBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170860905 436956338 /nfs/dbraw/zinc/95/63/38/436956338.db2.gz ZYTPQHLBOKIRRC-BXUZGUMPSA-N 1 0 334.376 0.876 20 5 ECBDRO COC(=O)Cn1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])nn1 ZINC000296125297 436984769 /nfs/dbraw/zinc/98/47/69/436984769.db2.gz UARMXYUQEUGSSO-UHFFFAOYSA-N 1 0 334.336 0.325 20 5 ECBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC1(O)CCOCC1 ZINC000275627487 436992321 /nfs/dbraw/zinc/99/23/21/436992321.db2.gz UWIRTCQLZHHMSC-CYBMUJFWSA-N 1 0 340.376 0.808 20 5 ECBDRO CCn1cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])n1 ZINC000331715481 437150664 /nfs/dbraw/zinc/15/06/64/437150664.db2.gz HREHTOSAGKAFQY-WDEREUQCSA-N 1 0 343.409 0.716 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000265417275 437127050 /nfs/dbraw/zinc/12/70/50/437127050.db2.gz VHUGRUZTTGXFAB-LLVKDONJSA-N 1 0 336.348 0.752 20 5 ECBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000316603261 437187704 /nfs/dbraw/zinc/18/77/04/437187704.db2.gz HXQZPVHUJWFZMV-JQWIXIFHSA-N 1 0 329.378 0.640 20 5 ECBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@H]1CCCOC1 ZINC000180942670 437306151 /nfs/dbraw/zinc/30/61/51/437306151.db2.gz WMIWQLGACNDLLV-NSHDSACASA-N 1 0 329.378 0.642 20 5 ECBDRO CS[C@H]1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000278122351 437284224 /nfs/dbraw/zinc/28/42/24/437284224.db2.gz SSRYLVVWUXAHPL-QWRGUYRKSA-N 1 0 326.378 0.813 20 5 ECBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000278880525 437353204 /nfs/dbraw/zinc/35/32/04/437353204.db2.gz PDOYFZAGCHDQMQ-LBPRGKRZSA-N 1 0 337.380 0.503 20 5 ECBDRO O=C1NC(=O)[C@@]2(CCC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)N1 ZINC000279058790 437370205 /nfs/dbraw/zinc/37/02/05/437370205.db2.gz LKNJPUUXWKAQQH-HNNXBMFYSA-N 1 0 334.332 0.648 20 5 ECBDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181755304 437330206 /nfs/dbraw/zinc/33/02/06/437330206.db2.gz BYCGSGGSJHLJCP-UPJWGTAASA-N 1 0 337.376 0.920 20 5 ECBDRO O=C1NC(=O)[C@@]2(CCC[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)N1 ZINC000279135441 437376423 /nfs/dbraw/zinc/37/64/23/437376423.db2.gz WSLYRNNICQDPLU-WFASDCNBSA-N 1 0 334.332 0.302 20 5 ECBDRO C[NH+]1CCN(CCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000279169244 437380545 /nfs/dbraw/zinc/38/05/45/437380545.db2.gz GUQUVADZBSYYEO-UHFFFAOYSA-N 1 0 325.344 0.293 20 5 ECBDRO COc1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000279361498 437399656 /nfs/dbraw/zinc/39/96/56/437399656.db2.gz VHOVIIYZAUWONW-PHIMTYICSA-N 1 0 348.359 0.562 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CCO)C[C@H](C)O ZINC000289846928 437445185 /nfs/dbraw/zinc/44/51/85/437445185.db2.gz PKTUIVFZYXLPEK-NSHDSACASA-N 1 0 341.364 0.607 20 5 ECBDRO CC[NH+](CC)CCSCC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000269110175 437455687 /nfs/dbraw/zinc/45/56/87/437455687.db2.gz IHJAOHRPOOXEBO-UHFFFAOYSA-N 1 0 329.426 0.983 20 5 ECBDRO C[NH+](C)CC1(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCCC1 ZINC000186186564 437464325 /nfs/dbraw/zinc/46/43/25/437464325.db2.gz SQBADNPMNSGRAK-UHFFFAOYSA-N 1 0 336.392 0.995 20 5 ECBDRO CCn1cc(S(=O)(=O)N[C@H]2C[C@H]2C2CC[NH2+]CC2)c([N+](=O)[O-])n1 ZINC000359983523 437498229 /nfs/dbraw/zinc/49/82/29/437498229.db2.gz IGNWSFHTHWQVKX-QWRGUYRKSA-N 1 0 343.409 0.478 20 5 ECBDRO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCN1CCO ZINC000188724843 437566262 /nfs/dbraw/zinc/56/62/62/437566262.db2.gz JLQQHXKKEUOPSF-LLVKDONJSA-N 1 0 329.378 0.282 20 5 ECBDRO COCCCN(C(=O)c1n[nH]cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000291827876 437631650 /nfs/dbraw/zinc/63/16/50/437631650.db2.gz FXZDKOAIJOGAAT-UHFFFAOYSA-N 1 0 325.369 0.891 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCSC[C@H]1CO ZINC000343721014 437636592 /nfs/dbraw/zinc/63/65/92/437636592.db2.gz BZUODEFQXLNIKO-NEPJUHHUSA-N 1 0 328.390 0.744 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H](CO)C1CCOCC1 ZINC000343740773 437642833 /nfs/dbraw/zinc/64/28/33/437642833.db2.gz FXDBSMLKSBMMAC-UONOGXRCSA-N 1 0 340.376 0.712 20 5 ECBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+]2CCOC)n1 ZINC000191803393 437654172 /nfs/dbraw/zinc/65/41/72/437654172.db2.gz GBKGUVDBXGWNRV-LLVKDONJSA-N 1 0 325.369 0.652 20 5 ECBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)N1CC[NH2+]CC1 ZINC000415283826 437774102 /nfs/dbraw/zinc/77/41/02/437774102.db2.gz OCGYJXQEPBBSRM-UHFFFAOYSA-N 1 0 344.274 0.567 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000363391346 437787862 /nfs/dbraw/zinc/78/78/62/437787862.db2.gz QUMORIXPWBXTCO-LBPRGKRZSA-N 1 0 334.376 0.890 20 5 ECBDRO C[C@@H]1CN(C(=O)C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000423656918 437793189 /nfs/dbraw/zinc/79/31/89/437793189.db2.gz UYJMFYNGBUAKRK-OLZOCXBDSA-N 1 0 348.403 0.805 20 5 ECBDRO Cc1ccc(NC(=O)C(=O)N2CCOC3(C[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000415895857 437877642 /nfs/dbraw/zinc/87/76/42/437877642.db2.gz QBYXHTBOBKFWNA-UHFFFAOYSA-N 1 0 334.332 0.043 20 5 ECBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000347375655 437879294 /nfs/dbraw/zinc/87/92/94/437879294.db2.gz JQBFCVJVRBCREH-AWEZNQCLSA-N 1 0 348.403 0.947 20 5 ECBDRO CCOCCO[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000341683354 437884741 /nfs/dbraw/zinc/88/47/41/437884741.db2.gz DZXDQOJYPJLDPW-CQSZACIVSA-N 1 0 325.365 0.884 20 5 ECBDRO CCC[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@@H+]1CCOC ZINC000347443673 437889791 /nfs/dbraw/zinc/88/97/91/437889791.db2.gz FNGPGEJOAYWZHK-GFCCVEGCSA-N 1 0 340.384 0.146 20 5 ECBDRO COc1cc(S(=O)(=O)NC[C@@H]2CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000416492862 437943950 /nfs/dbraw/zinc/94/39/50/437943950.db2.gz BMRGQAPLHBWAIG-JTQLQIEISA-N 1 0 329.378 0.833 20 5 ECBDRO COc1cc(S(=O)(=O)NC[C@H]2CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000416492863 437944918 /nfs/dbraw/zinc/94/49/18/437944918.db2.gz BMRGQAPLHBWAIG-SNVBAGLBSA-N 1 0 329.378 0.833 20 5 ECBDRO CNC(=O)N[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000342362285 438012582 /nfs/dbraw/zinc/01/25/82/438012582.db2.gz ZTXHYEYFLVGGOG-GFCCVEGCSA-N 1 0 335.364 0.927 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCN1CC[NH2+]CC1 ZINC000417202955 438030250 /nfs/dbraw/zinc/03/02/50/438030250.db2.gz YANHEGUNALOGCA-UHFFFAOYSA-N 1 0 337.380 0.308 20 5 ECBDRO COc1cc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000342350316 438006382 /nfs/dbraw/zinc/00/63/82/438006382.db2.gz VSRRHFMJATZLML-JTQLQIEISA-N 1 0 329.378 0.976 20 5 ECBDRO COC(=O)CC[C@H]([NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000342736916 438053932 /nfs/dbraw/zinc/05/39/32/438053932.db2.gz RBLGGNAFGOAMHP-NSHDSACASA-N 1 0 325.321 0.500 20 5 ECBDRO O=C(CC[N@@H+]1CC[C@H]2C(=O)NC(=O)[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000366336695 438056791 /nfs/dbraw/zinc/05/67/91/438056791.db2.gz YRYTZIAOYSJRND-OLZOCXBDSA-N 1 0 346.343 0.518 20 5 ECBDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000348531286 438070063 /nfs/dbraw/zinc/07/00/63/438070063.db2.gz MEMMHOHRPMMBFN-DYEKYZERSA-N 1 0 337.376 0.920 20 5 ECBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000417762084 438075748 /nfs/dbraw/zinc/07/57/48/438075748.db2.gz IDDZPCIUOQGOKL-OAHLLOKOSA-N 1 0 347.419 0.826 20 5 ECBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358198401 438178961 /nfs/dbraw/zinc/17/89/61/438178961.db2.gz MLZFNEXRSBBZNP-ZDUSSCGKSA-N 1 0 329.378 0.248 20 5 ECBDRO Cc1cc(OCC(=O)N2CCN(CCO)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000432389405 438193368 /nfs/dbraw/zinc/19/33/68/438193368.db2.gz VJSOQFFZSMOKRB-CYBMUJFWSA-N 1 0 337.376 0.807 20 5 ECBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374311695 438202538 /nfs/dbraw/zinc/20/25/38/438202538.db2.gz POSCYBFONBFITI-VXGBXAGGSA-N 1 0 335.412 0.429 20 5 ECBDRO CNC(=O)c1ccc(N2C[C@H](C)[N@H+](CCO)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000419006364 438281645 /nfs/dbraw/zinc/28/16/45/438281645.db2.gz QEPLGNFXZLCRFJ-NWDGAFQWSA-N 1 0 336.392 0.846 20 5 ECBDRO CCCN(C(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000418927188 438252305 /nfs/dbraw/zinc/25/23/05/438252305.db2.gz WPZIOOLEZSHUFD-OAHLLOKOSA-N 1 0 348.403 0.854 20 5 ECBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000418928867 438252997 /nfs/dbraw/zinc/25/29/97/438252997.db2.gz ZWQWWBFGBHSRLF-SWLSCSKDSA-N 1 0 348.403 0.982 20 5 ECBDRO C[N@H+](C[C@@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000351713986 438324243 /nfs/dbraw/zinc/32/42/43/438324243.db2.gz XYYCLJIOAJROIV-IUODEOHRSA-N 1 0 335.408 0.931 20 5 ECBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000419039088 438301127 /nfs/dbraw/zinc/30/11/27/438301127.db2.gz KLADPZYBCPGAPK-CHWSQXEVSA-N 1 0 334.376 0.497 20 5 ECBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000419045618 438302809 /nfs/dbraw/zinc/30/28/09/438302809.db2.gz WRSSPPNSMTVXNA-OCCSQVGLSA-N 1 0 348.403 0.839 20 5 ECBDRO CO[C@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000359052927 438348970 /nfs/dbraw/zinc/34/89/70/438348970.db2.gz HGCUNKYHZSIPSY-CABCVRRESA-N 1 0 336.392 0.996 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)s1 ZINC000352536131 438435476 /nfs/dbraw/zinc/43/54/76/438435476.db2.gz ZXFJIDCSJPTFFB-SNVBAGLBSA-N 1 0 346.434 0.325 20 5 ECBDRO CCn1cc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])n1 ZINC000420767762 438437914 /nfs/dbraw/zinc/43/79/14/438437914.db2.gz NQCGZUTVCHVDBT-SNVBAGLBSA-N 1 0 331.398 0.526 20 5 ECBDRO O=C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000359294319 438405370 /nfs/dbraw/zinc/40/53/70/438405370.db2.gz BOKNVORCXKHLKQ-UWVGGRQHSA-N 1 0 334.332 0.413 20 5 ECBDRO O=C(CN1C[C@H]2C[NH2+]C[C@H]2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000359294313 438406271 /nfs/dbraw/zinc/40/62/71/438406271.db2.gz BOKNVORCXKHLKQ-AOOOYVTPSA-N 1 0 334.332 0.413 20 5 ECBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@]1(CO)CCOC1 ZINC000359581280 438462345 /nfs/dbraw/zinc/46/23/45/438462345.db2.gz WRMXASHOBNUNSR-DOMZBBRYSA-N 1 0 326.349 0.418 20 5 ECBDRO CC[NH+]1CCN(CC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000359625565 438469944 /nfs/dbraw/zinc/46/99/44/438469944.db2.gz SIIGKORJPAYXCZ-UHFFFAOYSA-N 1 0 348.403 0.953 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])n1 ZINC000407989536 438479119 /nfs/dbraw/zinc/47/91/19/438479119.db2.gz HSTVJNLFLXCUDQ-SNVBAGLBSA-N 1 0 329.382 0.280 20 5 ECBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000438926115 438490855 /nfs/dbraw/zinc/49/08/55/438490855.db2.gz BSMQTYLPXHQRRS-UHFFFAOYSA-N 1 0 348.359 0.940 20 5 ECBDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H]1C[C@@H](O)C1 ZINC000420970303 438454651 /nfs/dbraw/zinc/45/46/51/438454651.db2.gz FDRVPCFTJDCLCQ-BJHJDKERSA-N 1 0 343.405 0.576 20 5 ECBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H](O)C(F)F)cc1[N+](=O)[O-] ZINC000353779777 438535927 /nfs/dbraw/zinc/53/59/27/438535927.db2.gz PGZBJNQVIDHKSA-SNVBAGLBSA-N 1 0 334.275 0.862 20 5 ECBDRO Cc1ccn(C2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000370028802 438543549 /nfs/dbraw/zinc/54/35/49/438543549.db2.gz FSLUQLWRVZDQJG-OAHLLOKOSA-N 1 0 334.380 0.994 20 5 ECBDRO O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NC[C@@H]1CC[NH2+]C1)OCCO2 ZINC000440839219 438567322 /nfs/dbraw/zinc/56/73/22/438567322.db2.gz AKDCFYDKRYJEBN-SECBINFHSA-N 1 0 343.361 0.254 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2CCCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000422754372 438603936 /nfs/dbraw/zinc/60/39/36/438603936.db2.gz FTNLKZGOCVKXCN-ZDUSSCGKSA-N 1 0 334.376 0.973 20 5 ECBDRO [NH3+]CCCn1cc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)nn1 ZINC000422931154 438616484 /nfs/dbraw/zinc/61/64/84/438616484.db2.gz ATYNAMDUJGEHGF-UHFFFAOYSA-N 1 0 333.352 0.377 20 5 ECBDRO COC(=O)C[C@H]([NH3+])C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000423221481 438650807 /nfs/dbraw/zinc/65/08/07/438650807.db2.gz WVDGYGYLRAZWJA-NSHDSACASA-N 1 0 338.364 0.712 20 5 ECBDRO C[C@@H]1CN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC[NH2+]1 ZINC000423579198 438691602 /nfs/dbraw/zinc/69/16/02/438691602.db2.gz NSQGLZOIAMRYQF-LLVKDONJSA-N 1 0 348.359 0.005 20 5 ECBDRO C[C@H]1CN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC[C@@H]1[NH3+] ZINC000423302686 438657645 /nfs/dbraw/zinc/65/76/45/438657645.db2.gz HXBPWJCMNYGXGQ-NHYWBVRUSA-N 1 0 346.387 0.675 20 5 ECBDRO CNc1nccc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000553498753 438752336 /nfs/dbraw/zinc/75/23/36/438752336.db2.gz SHYCXASPWQXBOH-LBPRGKRZSA-N 1 0 349.391 0.826 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000457367128 438805697 /nfs/dbraw/zinc/80/56/97/438805697.db2.gz DUHFCGUYCQLIDL-KBPBESRZSA-N 1 0 346.387 0.701 20 5 ECBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)CCc3cccc([N+](=O)[O-])c3)CCN2C1=O 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GMMJVLYIPKOLHD-UHFFFAOYSA-N 1 0 344.393 0.360 20 5 ECBDRO O=C(NCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000578186472 438903395 /nfs/dbraw/zinc/90/33/95/438903395.db2.gz QUWYTGSFHHPIBH-NSHDSACASA-N 1 0 339.377 0.233 20 5 ECBDRO C[NH2+]C[C@H](C)NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000595983442 438907744 /nfs/dbraw/zinc/90/77/44/438907744.db2.gz OAHBVBMMUNITTB-QMMMGPOBSA-N 1 0 328.756 0.702 20 5 ECBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000515845741 438884849 /nfs/dbraw/zinc/88/48/49/438884849.db2.gz RFOHAWAWUSTESI-GHMZBOCLSA-N 1 0 334.376 0.722 20 5 ECBDRO CN1CC[NH+](CC2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000590398922 438917553 /nfs/dbraw/zinc/91/75/53/438917553.db2.gz BOUSHRQLVAJJHW-UHFFFAOYSA-N 1 0 348.403 0.679 20 5 ECBDRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000596051073 438918208 /nfs/dbraw/zinc/91/82/08/438918208.db2.gz LLHTZJGINVBWAY-SSDOTTSWSA-N 1 0 328.272 0.500 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCOC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000590564016 438932337 /nfs/dbraw/zinc/93/23/37/438932337.db2.gz BSXKNDJKDYPTGY-STQMWFEESA-N 1 0 337.380 0.421 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000591328945 439003660 /nfs/dbraw/zinc/00/36/60/439003660.db2.gz JNFPZRJAMCYATO-SNVBAGLBSA-N 1 0 329.378 0.833 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2c[nH]c3ncccc23)c1 ZINC000566115729 439008461 /nfs/dbraw/zinc/00/84/61/439008461.db2.gz RUBDHMWOJZGYNT-CYBMUJFWSA-N 1 0 330.348 0.861 20 5 ECBDRO O=C1C[C@@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000566132133 439009401 /nfs/dbraw/zinc/00/94/01/439009401.db2.gz SXTKYARYPPRIRR-SWLSCSKDSA-N 1 0 349.387 0.935 20 5 ECBDRO CNC(=O)c1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000519803586 439063938 /nfs/dbraw/zinc/06/39/38/439063938.db2.gz XJHFXXUKZYILJA-AWEZNQCLSA-N 1 0 333.348 0.302 20 5 ECBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c1F ZINC000580092237 439062879 /nfs/dbraw/zinc/06/28/79/439062879.db2.gz ZOAWCNVORZTBBI-RYUDHWBXSA-N 1 0 341.339 0.418 20 5 ECBDRO COc1ccc(CC(=O)NC[C@]2(O)C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000579492058 439013734 /nfs/dbraw/zinc/01/37/34/439013734.db2.gz UOBCEPBPLZLMPP-KRWDZBQOSA-N 1 0 349.387 0.719 20 5 ECBDRO C[C@@H]1CN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC[C@H]1[NH3+] ZINC000591578165 439024164 /nfs/dbraw/zinc/02/41/64/439024164.db2.gz HMYKPNIMJSUBSJ-BXUZGUMPSA-N 1 0 346.387 0.675 20 5 ECBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000580445004 439091774 /nfs/dbraw/zinc/09/17/74/439091774.db2.gz FDTGDEDZEAXEIS-BDAKNGLRSA-N 1 0 348.363 0.329 20 5 ECBDRO CN1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000521216443 439110312 /nfs/dbraw/zinc/11/03/12/439110312.db2.gz NKZJSHHZQGCIKF-CYBMUJFWSA-N 1 0 337.380 0.258 20 5 ECBDRO C[C@H]([NH3+])C[C@H](C)NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000520229142 439074780 /nfs/dbraw/zinc/07/47/80/439074780.db2.gz BZGFTKFDWJLKPB-IUCAKERBSA-N 1 0 345.377 0.770 20 5 ECBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CN(C)CCO1 ZINC000591756651 439080744 /nfs/dbraw/zinc/08/07/44/439080744.db2.gz MRXPVJZIJZDUEL-XEZPLFJOSA-N 1 0 339.392 0.643 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2cnn(CC(F)(F)F)c2)c1 ZINC000591754414 439081183 /nfs/dbraw/zinc/08/11/83/439081183.db2.gz JQXAFWHXFDFFJJ-LLVKDONJSA-N 1 0 348.285 0.701 20 5 ECBDRO COc1cccc2c1C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000567697667 439167534 /nfs/dbraw/zinc/16/75/34/439167534.db2.gz BFRBTJIJZDWKGC-JSGCOSHPSA-N 1 0 332.360 0.918 20 5 ECBDRO COC[C@@H](C)OC[C@H](O)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000567702121 439168146 /nfs/dbraw/zinc/16/81/46/439168146.db2.gz UMBJRAJEOBDAAU-ZYHUDNBSSA-N 1 0 338.364 0.973 20 5 ECBDRO O=C1CNC(=O)N1CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000580932361 439147757 /nfs/dbraw/zinc/14/77/57/439147757.db2.gz LWTHYLJITOMGGB-WDEREUQCSA-N 1 0 336.352 0.416 20 5 ECBDRO Cn1cc(C(=O)N[C@@H](CO)C[NH+](C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597655577 439150959 /nfs/dbraw/zinc/15/09/59/439150959.db2.gz YSBNZJMUEYTDDY-GFCCVEGCSA-N 1 0 347.375 0.648 20 5 ECBDRO CNc1nccc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000597694547 439162489 /nfs/dbraw/zinc/16/24/89/439162489.db2.gz LDZFQYNIKIOZBX-CHWSQXEVSA-N 1 0 349.391 0.967 20 5 ECBDRO CC(C)([NH3+])CC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000592144441 439165685 /nfs/dbraw/zinc/16/56/85/439165685.db2.gz DXHDVBQJFUECIB-UHFFFAOYSA-N 1 0 344.393 0.117 20 5 ECBDRO CCc1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000592392859 439219494 /nfs/dbraw/zinc/21/94/94/439219494.db2.gz ACHIPSPWNZXBTQ-GFCCVEGCSA-N 1 0 342.421 0.339 20 5 ECBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000592389827 439220058 /nfs/dbraw/zinc/22/00/58/439220058.db2.gz YBTIVESNLIGNKX-RYUDHWBXSA-N 1 0 331.369 0.757 20 5 ECBDRO CC[NH2+]CCCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000567884935 439192400 /nfs/dbraw/zinc/19/24/00/439192400.db2.gz SMJVPZYFACSUDX-LLVKDONJSA-N 1 0 338.364 0.908 20 5 ECBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000592309040 439200521 /nfs/dbraw/zinc/20/05/21/439200521.db2.gz QGQODZNQWKDQNM-XPTSAGLGSA-N 1 0 337.332 0.554 20 5 ECBDRO Cc1nn(C)c(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000597941378 439201375 /nfs/dbraw/zinc/20/13/75/439201375.db2.gz AFOMHDLNVDISJS-NSHDSACASA-N 1 0 340.428 0.639 20 5 ECBDRO [NH3+]C[C@H]1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CCCO1 ZINC000581369124 439204196 /nfs/dbraw/zinc/20/41/96/439204196.db2.gz GIGGIXKWNIZJFC-HNNXBMFYSA-N 1 0 345.359 0.970 20 5 ECBDRO CN(CCC[NH+](C)C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000597989566 439207895 /nfs/dbraw/zinc/20/78/95/439207895.db2.gz GIBINVSKRDTSJH-UHFFFAOYSA-N 1 0 341.387 0.929 20 5 ECBDRO Cc1nn(C)c(C(=O)NCCN(C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000597990363 439209340 /nfs/dbraw/zinc/20/93/40/439209340.db2.gz UEALDLNHBSGHDY-UHFFFAOYSA-N 1 0 326.401 0.250 20 5 ECBDRO Cc1ccc(C)c(S(=O)(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000592373781 439211923 /nfs/dbraw/zinc/21/19/23/439211923.db2.gz BLSZTXVTQHKZHX-NEPJUHHUSA-N 1 0 343.405 0.948 20 5 ECBDRO Cc1cc(S(=O)(=O)NC[C@H]2C[NH2+]CCO2)c(C)cc1[N+](=O)[O-] ZINC000568782883 439278228 /nfs/dbraw/zinc/27/82/28/439278228.db2.gz GZTYTQWLHCQNIV-LLVKDONJSA-N 1 0 329.378 0.478 20 5 ECBDRO CN(CCN1CC[NH2+]CC1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000592469784 439234273 /nfs/dbraw/zinc/23/42/73/439234273.db2.gz ZMWBMJUNZRGJOR-UHFFFAOYSA-N 1 0 336.392 0.727 20 5 ECBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000581777552 439253649 /nfs/dbraw/zinc/25/36/49/439253649.db2.gz UAMAFIHHQPUSNU-JSGCOSHPSA-N 1 0 348.407 0.819 20 5 ECBDRO CN(CCN1CC[NH2+]CC1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000592982858 439328236 /nfs/dbraw/zinc/32/82/36/439328236.db2.gz JEOYZZMCYAGLRM-UHFFFAOYSA-N 1 0 334.423 0.182 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1CN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593050843 439335258 /nfs/dbraw/zinc/33/52/58/439335258.db2.gz GPOOJYYNMOFXKZ-UHFFFAOYSA-N 1 0 336.392 0.809 20 5 ECBDRO COc1cc(CN2CCN(CC[NH+](C)C)C(=O)C2)ccc1[N+](=O)[O-] ZINC000593050610 439335825 /nfs/dbraw/zinc/33/58/25/439335825.db2.gz GVJSAOJFFVPMSX-UHFFFAOYSA-N 1 0 336.392 0.809 20 5 ECBDRO CNc1c(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)cccc1[N+](=O)[O-] ZINC000592871423 439294343 /nfs/dbraw/zinc/29/43/43/439294343.db2.gz HYLWHOUMNFPMII-LLVKDONJSA-N 1 0 349.391 0.829 20 5 ECBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598664657 439298659 /nfs/dbraw/zinc/29/86/59/439298659.db2.gz IPYPHZUOQZPICQ-ZYHUDNBSSA-N 1 0 335.364 0.960 20 5 ECBDRO C[NH+]1CCC2(CC1)CN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)CCO2 ZINC000592898381 439299746 /nfs/dbraw/zinc/29/97/46/439299746.db2.gz GYLGRZYCIWLGIE-UHFFFAOYSA-N 1 0 336.348 0.632 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CC[NH2+]C[C@H]2C(C)C)c([N+](=O)[O-])n1 ZINC000599108340 439359991 /nfs/dbraw/zinc/35/99/91/439359991.db2.gz YTDOFEXYTCJZDD-JTQLQIEISA-N 1 0 331.398 0.430 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000599106387 439357851 /nfs/dbraw/zinc/35/78/51/439357851.db2.gz FZBRJOMPUHLEEG-WDEREUQCSA-N 1 0 343.409 0.624 20 5 ECBDRO C[NH+](C)CCN1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593391464 439375422 /nfs/dbraw/zinc/37/54/22/439375422.db2.gz MDJPNTRQCAUJIC-UHFFFAOYSA-N 1 0 338.383 0.982 20 5 ECBDRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599217762 439385235 /nfs/dbraw/zinc/38/52/35/439385235.db2.gz DAVZWWSRKXYFRD-UHFFFAOYSA-N 1 0 345.425 0.822 20 5 ECBDRO CC(=O)N1CCN(c2ccc(C(=O)N(C)CC[NH3+])cc2[N+](=O)[O-])CC1 ZINC000570331241 439412320 /nfs/dbraw/zinc/41/23/20/439412320.db2.gz ZMOIGAZGDALXGR-UHFFFAOYSA-N 1 0 349.391 0.294 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2(C[NH+](C)C)CCCC2)n1 ZINC000599277432 439414805 /nfs/dbraw/zinc/41/48/05/439414805.db2.gz HLBGOOQCKSFAJH-UHFFFAOYSA-N 1 0 345.425 0.729 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC(C)(C)C[NH+]2CCCC2)n1 ZINC000599290377 439422413 /nfs/dbraw/zinc/42/24/13/439422413.db2.gz UQFZQORXLPWTEL-UHFFFAOYSA-N 1 0 345.425 0.729 20 5 ECBDRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599318315 439430269 /nfs/dbraw/zinc/43/02/69/439430269.db2.gz WXJFQXVWMWRAGX-UHFFFAOYSA-N 1 0 345.425 0.825 20 5 ECBDRO CCOC(=O)C[C@@H](O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000599325821 439435217 /nfs/dbraw/zinc/43/52/17/439435217.db2.gz MJOTYEFKKCROBL-DGCLKSJQSA-N 1 0 338.364 0.790 20 5 ECBDRO C[C@@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599346591 439441363 /nfs/dbraw/zinc/44/13/63/439441363.db2.gz KZLKZUNTZWGWAW-NSHDSACASA-N 1 0 345.425 0.727 20 5 ECBDRO C[NH+](C)CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593569937 439409264 /nfs/dbraw/zinc/40/92/64/439409264.db2.gz SDXYSGTZZVPHTL-UHFFFAOYSA-N 1 0 328.394 0.952 20 5 ECBDRO CCn1cc(S(=O)(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c([N+](=O)[O-])n1 ZINC000583499445 439473818 /nfs/dbraw/zinc/47/38/18/439473818.db2.gz HFVLHQSYFLSZEW-XYPYZODXSA-N 1 0 345.425 0.855 20 5 ECBDRO C[NH+](C)CC[C@H](N)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000593905997 439492500 /nfs/dbraw/zinc/49/25/00/439492500.db2.gz QVPGUXJKEXVHAU-YPMHNXCESA-N 1 0 336.396 0.282 20 5 ECBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCC1(C[NH3+])CC1 ZINC000593915038 439494011 /nfs/dbraw/zinc/49/40/11/439494011.db2.gz UOVXEROWWORHJT-LLVKDONJSA-N 1 0 334.376 0.958 20 5 ECBDRO C[NH+](C)CC[C@H](N)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000593926494 439496636 /nfs/dbraw/zinc/49/66/36/439496636.db2.gz WYTRMNXQDMTCQZ-LBPRGKRZSA-N 1 0 332.364 1.202 20 5 ECBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NC[C@@H]1C[NH2+]CCO1 ZINC000570835706 439456355 /nfs/dbraw/zinc/45/63/55/439456355.db2.gz UEYSASDRWPHGKI-NSHDSACASA-N 1 0 337.332 0.013 20 5 ECBDRO NS(=O)(=O)NC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000599646837 439527391 /nfs/dbraw/zinc/52/73/91/439527391.db2.gz LNVUVJJLGWKJMJ-UHFFFAOYSA-N 1 0 328.394 0.395 20 5 ECBDRO Cc1ccc(C[C@@H](CO)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1C ZINC000583934494 439528057 /nfs/dbraw/zinc/52/80/57/439528057.db2.gz IHVSKFYWCIHEID-DOTOQJQBSA-N 1 0 348.403 0.962 20 5 ECBDRO C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+](C)C ZINC000594359333 439548091 /nfs/dbraw/zinc/54/80/91/439548091.db2.gz BUVVICKLTGGCFV-TUKIKUTGSA-N 1 0 348.403 0.881 20 5 ECBDRO C[C@@H]1CC[N@H+](CC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000594369531 439548632 /nfs/dbraw/zinc/54/86/32/439548632.db2.gz LSVCOQWKTHUQOZ-CYBMUJFWSA-N 1 0 333.392 0.980 20 5 ECBDRO COCC[N@@H+]1CCC[C@H](NC(=O)CCn2cc([N+](=O)[O-])nc2C)C1 ZINC000609269538 439561576 /nfs/dbraw/zinc/56/15/76/439561576.db2.gz SWIZVJAYIVBAJU-ZDUSSCGKSA-N 1 0 339.396 0.717 20 5 ECBDRO CCc1ccc(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1[N+](=O)[O-] ZINC000584302984 439575796 /nfs/dbraw/zinc/57/57/96/439575796.db2.gz UITTWRHONBOWCQ-STQMWFEESA-N 1 0 332.360 0.541 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](CO)Cc2ccc(F)cc2)c1 ZINC000572404520 439580127 /nfs/dbraw/zinc/58/01/27/439580127.db2.gz NFXROHURICDZBV-HIFRSBDPSA-N 1 0 338.339 0.485 20 5 ECBDRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000609668382 439584063 /nfs/dbraw/zinc/58/40/63/439584063.db2.gz NSLPRVMTRMVAAF-GFCCVEGCSA-N 1 0 337.380 0.059 20 5 ECBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000599951816 439584122 /nfs/dbraw/zinc/58/41/22/439584122.db2.gz YKLPWPPRQVHHCZ-QWHCGFSZSA-N 1 0 334.376 0.776 20 5 ECBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000584530063 439597092 /nfs/dbraw/zinc/59/70/92/439597092.db2.gz KGLTVKZFBNEXOV-NEPJUHHUSA-N 1 0 336.392 0.838 20 5 ECBDRO O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000594748976 439600779 /nfs/dbraw/zinc/60/07/79/439600779.db2.gz QTUDIDAPWBXTSR-GHMZBOCLSA-N 1 0 326.378 0.895 20 5 ECBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594759752 439604017 /nfs/dbraw/zinc/60/40/17/439604017.db2.gz VUNVUGFYBAGLPM-NSHDSACASA-N 1 0 328.394 0.952 20 5 ECBDRO Cc1cc(S(=O)(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)c(C)cc1[N+](=O)[O-] ZINC000595108693 439653834 /nfs/dbraw/zinc/65/38/34/439653834.db2.gz OOBWGICBTNAHTG-AAEUAGOBSA-N 1 0 343.405 0.948 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)nc1 ZINC000595111322 439654455 /nfs/dbraw/zinc/65/44/55/439654455.db2.gz HJVWHIDDUINBMW-PHIMTYICSA-N 1 0 326.378 0.610 20 5 ECBDRO CN1CCN(C)[C@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000573597863 439655445 /nfs/dbraw/zinc/65/54/45/439655445.db2.gz WZRBOQNXLRDDRC-HUUCEWRRSA-N 1 0 338.408 0.170 20 5 ECBDRO CN1C(=O)c2ccccc2[C@@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000600753418 439698940 /nfs/dbraw/zinc/69/89/40/439698940.db2.gz AWMFOGMWJNXVTP-WFASDCNBSA-N 1 0 345.359 0.569 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H](O)[C@H]2CCCO2)c1 ZINC000600761009 439700720 /nfs/dbraw/zinc/70/07/20/439700720.db2.gz VUXNKUKAYBVZPN-VHDGCEQUSA-N 1 0 326.349 0.464 20 5 ECBDRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000574428519 439705365 /nfs/dbraw/zinc/70/53/65/439705365.db2.gz WTIPKZPRBWBCFC-GFCCVEGCSA-N 1 0 332.360 0.348 20 5 ECBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000600531427 439674642 /nfs/dbraw/zinc/67/46/42/439674642.db2.gz DZUACLWNMMYPQU-CYBMUJFWSA-N 1 0 345.359 0.577 20 5 ECBDRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NCCc2ccccc2[N+](=O)[O-])n1 ZINC000595263178 439685240 /nfs/dbraw/zinc/68/52/40/439685240.db2.gz PUGGBINCGQLELY-UHFFFAOYSA-N 1 0 346.347 0.591 20 5 ECBDRO Cc1c(CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)cccc1[N+](=O)[O-] ZINC000595281333 439689050 /nfs/dbraw/zinc/68/90/50/439689050.db2.gz IOYZHCZOVLYQTN-UHFFFAOYSA-N 1 0 332.360 0.388 20 5 ECBDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000613389683 439755961 /nfs/dbraw/zinc/75/59/61/439755961.db2.gz JZBJCIYCDSLWJG-KCXAZCMYSA-N 1 0 334.376 0.906 20 5 ECBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)cn1 ZINC000617457946 439888091 /nfs/dbraw/zinc/88/80/91/439888091.db2.gz NMTDRPKVUSBGFP-LBPRGKRZSA-N 1 0 340.405 0.735 20 5 ECBDRO COC1(CO)CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000618551337 440133326 /nfs/dbraw/zinc/13/33/26/440133326.db2.gz WMFXOIZZLSUJSG-AWEZNQCLSA-N 1 0 340.376 0.808 20 5 ECBDRO O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000289846673 320673569 /nfs/dbraw/zinc/67/35/69/320673569.db2.gz CAANLBRJJOKKNM-STQMWFEESA-N 1 0 342.359 0.857 20 5 ECBDRO CNC(=O)N[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000342365822 321087042 /nfs/dbraw/zinc/08/70/42/321087042.db2.gz VTSYZLFPRXXSTI-DGCLKSJQSA-N 1 0 338.364 0.338 20 5 ECBDRO COc1cc(CN(CC[NH3+])CCO)c([N+](=O)[O-])cc1OC(F)F ZINC000342395606 321089580 /nfs/dbraw/zinc/08/95/80/321089580.db2.gz CXGNJLFFDPNAHC-UHFFFAOYSA-N 1 0 335.307 0.958 20 5 ECBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000345301995 321182228 /nfs/dbraw/zinc/18/22/28/321182228.db2.gz QSWKAGBSRLPBIW-UHFFFAOYSA-N 1 0 348.363 0.594 20 5 ECBDRO CCn1cc(S(=O)(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])n1 ZINC000353214204 321385619 /nfs/dbraw/zinc/38/56/19/321385619.db2.gz FNTFMDIGXLAJRN-UWVGGRQHSA-N 1 0 331.398 0.478 20 5 ECBDRO Cn1ccnc1[C@@H](NC[C@H](O)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000353504159 321395963 /nfs/dbraw/zinc/39/59/63/321395963.db2.gz QKEYAMKXGJGLLJ-GJZGRUSLSA-N 1 0 333.392 0.930 20 5 ECBDRO CC1CC[NH+](C[C@@H](O)CNC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000360756943 321612149 /nfs/dbraw/zinc/61/21/49/321612149.db2.gz WEOJFYZBFPYJOG-NSHDSACASA-N 1 0 325.369 0.151 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1CN1C(=O)N[C@]2(CCC[NH2+]C2)C1=O ZINC000563081354 322296602 /nfs/dbraw/zinc/29/66/02/322296602.db2.gz WTAKIRHWNWYHFX-HNNXBMFYSA-N 1 0 334.332 0.777 20 5 ECBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000563115128 322299099 /nfs/dbraw/zinc/29/90/99/322299099.db2.gz LUXALSYHFYJECA-LLVKDONJSA-N 1 0 345.359 0.482 20 5 ECBDRO CO[C@@]1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000564445244 322374694 /nfs/dbraw/zinc/37/46/94/322374694.db2.gz ASIIHHUKSUBBIY-DZGCQCFKSA-N 1 0 326.349 0.730 20 5 ECBDRO C[N@H+]1C[C@H]2CN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)C[C@H]2C1 ZINC000564738288 322391088 /nfs/dbraw/zinc/39/10/88/322391088.db2.gz KWWHMKOTQCAEDP-PHIMTYICSA-N 1 0 333.344 1.000 20 5 ECBDRO O=C(NCC1=CC[NH2+]CC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000564787316 322393368 /nfs/dbraw/zinc/39/33/68/322393368.db2.gz ZYEDHCSRJGKGGZ-UHFFFAOYSA-N 1 0 346.391 0.741 20 5 ECBDRO O=C(CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[NH2+]CC1 ZINC000564835908 322397560 /nfs/dbraw/zinc/39/75/60/322397560.db2.gz KSAIDAZSCLLJEW-UHFFFAOYSA-N 1 0 332.316 0.503 20 5 ECBDRO O=C1CCCCN1CCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000567679171 322592505 /nfs/dbraw/zinc/59/25/05/322592505.db2.gz NPWNLNGZSKJJMH-ZDUSSCGKSA-N 1 0 325.369 0.144 20 5 ECBDRO CC[C@@H]([NH3+])CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000568087130 322612997 /nfs/dbraw/zinc/61/29/97/322612997.db2.gz QDVDDZOCRRBLOV-MRVPVSSYSA-N 1 0 328.756 0.832 20 5 ECBDRO CN(CCC[NH3+])S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000571283462 322716244 /nfs/dbraw/zinc/71/62/44/322716244.db2.gz MNXAEZCBEZNEPD-UHFFFAOYSA-N 1 0 331.350 0.335 20 5 ECBDRO COc1cc(C(=O)N2CCCO[C@H](C[NH3+])C2)cc([N+](=O)[O-])c1OC ZINC000571679790 322729995 /nfs/dbraw/zinc/72/99/95/322729995.db2.gz VTTNVVCOQBLQIH-LLVKDONJSA-N 1 0 339.348 0.802 20 5 ECBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000573578962 322764158 /nfs/dbraw/zinc/76/41/58/322764158.db2.gz JXDFVEVOUMEBGD-NWDGAFQWSA-N 1 0 333.348 0.679 20 5 ECBDRO O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])o1 ZINC000578186441 322857237 /nfs/dbraw/zinc/85/72/37/322857237.db2.gz OJORLLGVNXLXQF-YGRLFVJLSA-N 1 0 336.348 0.564 20 5 ECBDRO Cc1c(C(=O)N2CC[NH2+][C@@H](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000155165999 533754738 /nfs/dbraw/zinc/75/47/38/533754738.db2.gz KWCHIIMRRXZXEH-JTQLQIEISA-N 1 0 330.348 0.918 20 5 ECBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000189841364 533913548 /nfs/dbraw/zinc/91/35/48/533913548.db2.gz DJNLUQGFMQEEHZ-GFCCVEGCSA-N 1 0 335.408 0.933 20 5 ECBDRO CC[NH+]1CCN(CCNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC1 ZINC000749389892 579337681 /nfs/dbraw/zinc/33/76/81/579337681.db2.gz PMOFNUHQDQEMBF-UHFFFAOYSA-N 1 0 335.408 0.853 20 5 ECBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)CC(=O)NC ZINC000735870359 578398369 /nfs/dbraw/zinc/39/83/69/578398369.db2.gz UGXUTSPOAOQKPB-UHFFFAOYSA-N 1 0 338.364 1.000 20 5 ECBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000788472731 578838192 /nfs/dbraw/zinc/83/81/92/578838192.db2.gz RWNITTDYHFIFFY-OAHLLOKOSA-N 1 0 347.375 0.925 20 5 ECBDRO CC(C)[NH+]1CCN(CCCOC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000791753910 578892349 /nfs/dbraw/zinc/89/23/49/578892349.db2.gz JVQJPGFICCNRBZ-UHFFFAOYSA-N 1 0 340.384 0.146 20 5 ECBDRO O=C1NC(=O)C2(CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)N1 ZINC000760890088 579517045 /nfs/dbraw/zinc/51/70/45/579517045.db2.gz RIYNAZWKBMKAPG-LBPRGKRZSA-N 1 0 334.332 0.302 20 5 ECBDRO CC1(C2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)OCCO1 ZINC000760901294 579517061 /nfs/dbraw/zinc/51/70/61/579517061.db2.gz QNMNMPXIHFMDGL-AWEZNQCLSA-N 1 0 340.380 0.627 20 5 ECBDRO C[C@H](C[NH3+])NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000842762848 589035455 /nfs/dbraw/zinc/03/54/55/589035455.db2.gz TWJONJRPWHJALA-ZCFIWIBFSA-N 1 0 338.183 0.983 20 5 ECBDRO C[C@@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000896555446 586254166 /nfs/dbraw/zinc/25/41/66/586254166.db2.gz JLBXZMCESZDHAK-CJNGLKHVSA-N 1 0 349.435 0.782 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896581979 586260844 /nfs/dbraw/zinc/26/08/44/586260844.db2.gz 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Cc1cc(=O)c(C(=O)NC(C)(C)C[NH3+])nn1-c1ccccc1[N+](=O)[O-] ZINC000262543475 245025287 /nfs/dbraw/zinc/02/52/87/245025287.db2.gz IJLXKVPPRFGATD-UHFFFAOYSA-N 1 0 345.359 0.916 20 5 ECBDRO CN(CC(=O)NC[C@H]1C[N@H+](C)CCN1C)c1ccccc1[N+](=O)[O-] ZINC000266307234 248238402 /nfs/dbraw/zinc/23/84/02/248238402.db2.gz FGQAROHVNLDVMC-ZDUSSCGKSA-N 1 0 335.408 0.393 20 5 ECBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000266595105 248375434 /nfs/dbraw/zinc/37/54/34/248375434.db2.gz YMQWFHZEZDCGSK-LLVKDONJSA-N 1 0 336.348 0.490 20 5 ECBDRO Cc1nn(CCC(=O)N[C@@H]2C[NH2+]CCC2(F)F)c(C)c1[N+](=O)[O-] ZINC000449659485 211287833 /nfs/dbraw/zinc/28/78/33/211287833.db2.gz DCEORWGUODUBAH-SNVBAGLBSA-N 1 0 331.323 0.912 20 5 ECBDRO CC1(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000434685303 210587220 /nfs/dbraw/zinc/58/72/20/210587220.db2.gz NOAUQPOKAJGGJD-UHFFFAOYSA-N 1 0 334.376 0.973 20 5 ECBDRO CO[C@H](C)[C@@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000268865857 252315593 /nfs/dbraw/zinc/31/55/93/252315593.db2.gz WOGOJFLZBGURCN-GHMZBOCLSA-N 1 0 331.394 0.886 20 5 ECBDRO O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N1CCC[NH2+]CC1)OCCO2 ZINC000262735034 285098392 /nfs/dbraw/zinc/09/83/92/285098392.db2.gz GGAYQVRQEGVXHD-UHFFFAOYSA-N 1 0 343.361 0.350 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)NC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000420444934 209367276 /nfs/dbraw/zinc/36/72/76/209367276.db2.gz HCYRPOVVNCMVLI-NSHDSACASA-N 1 0 345.377 0.643 20 5 ECBDRO COC(=O)[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@H+](C)C1 ZINC000413923260 208380471 /nfs/dbraw/zinc/38/04/71/208380471.db2.gz QUDNDQQICNCXAE-ZDUSSCGKSA-N 1 0 335.360 0.701 20 5 ECBDRO COc1ccc(NC(=O)C(=O)N(C)CC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000415485826 208534800 /nfs/dbraw/zinc/53/48/00/208534800.db2.gz QRPFCCBYJLOGFC-UHFFFAOYSA-N 1 0 338.364 0.985 20 5 ECBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)C[C@H]12 ZINC000415585840 208552134 /nfs/dbraw/zinc/55/21/34/208552134.db2.gz MJOSPHASAZZASP-AQUOVQTQSA-N 1 0 336.323 0.868 20 5 ECBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000429759078 210332593 /nfs/dbraw/zinc/33/25/93/210332593.db2.gz KHNTYYUDAREGCX-XQQFMLRXSA-N 1 0 337.376 0.839 20 5 ECBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000429269348 210309200 /nfs/dbraw/zinc/30/92/00/210309200.db2.gz GCUXUYXNURIJEU-OCCSQVGLSA-N 1 0 349.391 0.638 20 5 ECBDRO [NH3+]C[C@@H]1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000429067001 210296362 /nfs/dbraw/zinc/29/63/62/210296362.db2.gz ZBWRUPLSQICKOX-LBPRGKRZSA-N 1 0 335.364 0.201 20 5 ECBDRO [NH3+]CC1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000428801409 210284373 /nfs/dbraw/zinc/28/43/73/210284373.db2.gz FESGEVLINPOBDI-UHFFFAOYSA-N 1 0 330.348 0.986 20 5 ECBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000428646027 210275511 /nfs/dbraw/zinc/27/55/11/210275511.db2.gz OOVIZSRESZZXMG-RYUDHWBXSA-N 1 0 338.412 0.943 20 5 ECBDRO C[C@H](NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000418782283 208849325 /nfs/dbraw/zinc/84/93/25/208849325.db2.gz MYZTUANBBRAWJK-MJVIPROJSA-N 1 0 334.376 0.968 20 5 ECBDRO Cc1ccc(NCCCNC(=O)C(=O)N[C@@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000419455073 209099640 /nfs/dbraw/zinc/09/96/40/209099640.db2.gz OBPXQLJBWUUYET-NSHDSACASA-N 1 0 337.380 0.285 20 5 ECBDRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000114166455 220645822 /nfs/dbraw/zinc/64/58/22/220645822.db2.gz PXARVODPKDOSCR-ZDUSSCGKSA-N 1 0 346.387 0.894 20 5 ECBDRO C[C@@H](C[NH3+])CNC(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000419162233 209006805 /nfs/dbraw/zinc/00/68/05/209006805.db2.gz GOAYJBDHDIYOHU-QMMMGPOBSA-N 1 0 328.756 0.575 20 5 ECBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419169694 209011117 /nfs/dbraw/zinc/01/11/17/209011117.db2.gz VCXVUOANBALGQT-SNVBAGLBSA-N 1 0 340.767 0.733 20 5 ECBDRO CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000191873589 165037524 /nfs/dbraw/zinc/03/75/24/165037524.db2.gz PENVTJRSILWTHE-LSDHHAIUSA-N 1 0 334.376 0.620 20 5 ECBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000261852845 165254142 /nfs/dbraw/zinc/25/41/42/165254142.db2.gz QIXTUKHEDFAAOC-WDEREUQCSA-N 1 0 330.348 0.985 20 5 ECBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC[C@H]1CCC[NH2+]1 ZINC000262530676 165359278 /nfs/dbraw/zinc/35/92/78/165359278.db2.gz GNGYIQWKQQDINS-SNVBAGLBSA-N 1 0 334.332 0.188 20 5 ECBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000262793687 165388572 /nfs/dbraw/zinc/38/85/72/165388572.db2.gz NWUIOXVPUOGOTA-JQWIXIFHSA-N 1 0 348.359 0.577 20 5 ECBDRO NS(=O)(=O)c1ccc(N2CC[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC000302780711 296901153 /nfs/dbraw/zinc/90/11/53/296901153.db2.gz RJGIHCDEDLJWRN-UHFFFAOYSA-N 1 0 326.378 0.527 20 5 ECBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359433030 299850592 /nfs/dbraw/zinc/85/05/92/299850592.db2.gz VNCKLGHQSDZVOU-RYUDHWBXSA-N 1 0 333.344 0.586 20 5 ECBDRO COc1c(F)cc(S(=O)(=O)N2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000193252533 263166550 /nfs/dbraw/zinc/16/65/50/263166550.db2.gz MKTBVMSNUZXLQY-MRVPVSSYSA-N 1 0 333.341 0.712 20 5 ECBDRO O=C(C[NH2+]C[C@H]1CCCO1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000237925235 263175064 /nfs/dbraw/zinc/17/50/64/263175064.db2.gz KHHXGRCDYZFEKD-GXTWGEPZSA-N 1 0 349.391 0.771 20 5 ECBDRO [NH3+][C@@H]1CCCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000262178418 263176908 /nfs/dbraw/zinc/17/69/08/263176908.db2.gz GEZVMBJFXQTBJR-SNVBAGLBSA-N 1 0 334.332 0.270 20 5 ECBDRO CCC[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@@H+]1CCOC ZINC000270927484 263286474 /nfs/dbraw/zinc/28/64/74/263286474.db2.gz GGJTUSNIMWTSSH-ZDUSSCGKSA-N 1 0 339.396 0.751 20 5 ECBDRO CCC[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1CCOC ZINC000270939765 263286959 /nfs/dbraw/zinc/28/69/59/263286959.db2.gz JHFDYISCRRVOGG-ZDUSSCGKSA-N 1 0 339.396 0.751 20 5 ECBDRO CS[C@@H]1CN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C[C@H]1[NH+](C)C ZINC000270960050 263289162 /nfs/dbraw/zinc/28/91/62/263289162.db2.gz RCZMJSQUVLIXPV-NXEZZACHSA-N 1 0 327.410 0.754 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)n1 ZINC000271097331 263298943 /nfs/dbraw/zinc/29/89/43/263298943.db2.gz JIJSCXOVMZSOIT-UHFFFAOYSA-N 1 0 345.363 0.727 20 5 ECBDRO CS[C@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000271196076 263306032 /nfs/dbraw/zinc/30/60/32/263306032.db2.gz WOILVTSJTLWJOE-YPMHNXCESA-N 1 0 340.405 0.261 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+](CCO)C1CCOCC1 ZINC000275533526 263613147 /nfs/dbraw/zinc/61/31/47/263613147.db2.gz KQLNNWAWBPOQKE-CQSZACIVSA-N 1 0 340.376 0.808 20 5 ECBDRO CC(=O)N1CCN(CC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000284018802 264181154 /nfs/dbraw/zinc/18/11/54/264181154.db2.gz IQOYHALJDPJOIJ-LBPRGKRZSA-N 1 0 335.408 0.992 20 5 ECBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000289757851 264575444 /nfs/dbraw/zinc/57/54/44/264575444.db2.gz MWHMZLRKCSQEMI-ZIAGYGMSSA-N 1 0 346.387 0.783 20 5 ECBDRO C[C@@H](O)C[NH+]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000189336174 437594195 /nfs/dbraw/zinc/59/41/95/437594195.db2.gz LCVSOMRUSDILKO-UKRRQHHQSA-N 1 0 339.392 0.333 20 5 ECBDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000419041186 277276381 /nfs/dbraw/zinc/27/63/81/277276381.db2.gz NHLPIMHSYYVRHW-ZDUSSCGKSA-N 1 0 334.376 0.464 20 5 ECBDRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000106895284 278260710 /nfs/dbraw/zinc/26/07/10/278260710.db2.gz IZKYIJKPKZSQNN-LBPRGKRZSA-N 1 0 342.421 0.509 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000174305706 282003706 /nfs/dbraw/zinc/00/37/06/282003706.db2.gz HAFFFDFAGHVPOJ-VXGBXAGGSA-N 1 0 339.396 0.403 20 5 ECBDRO CCO[C@H]1C[C@](CO)([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000189998688 437612712 /nfs/dbraw/zinc/61/27/12/437612712.db2.gz QCKUHKCLOFWZGW-XJKSGUPXSA-N 1 0 339.392 0.912 20 5 ECBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000423623550 289691545 /nfs/dbraw/zinc/69/15/45/289691545.db2.gz OHJSRPCQFJURAC-AWEZNQCLSA-N 1 0 348.403 0.936 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000262290643 295195055 /nfs/dbraw/zinc/19/50/55/295195055.db2.gz NCPBYFMPCBIXHV-NXEZZACHSA-N 1 0 329.378 0.961 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000261636109 295195115 /nfs/dbraw/zinc/19/51/15/295195115.db2.gz DKDJLHBKVXKUJI-JQWIXIFHSA-N 1 0 341.389 0.976 20 5 ECBDRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000338954798 297311470 /nfs/dbraw/zinc/31/14/70/297311470.db2.gz LIRNUDFAAAQLMW-ZDUSSCGKSA-N 1 0 334.376 0.912 20 5 ECBDRO CC[N@@H+]1CC[C@@H]2OCCN(CCn3cc([N+](=O)[O-])ccc3=O)[C@H]2C1 ZINC000339396425 297345305 /nfs/dbraw/zinc/34/53/05/297345305.db2.gz WRAFSMSSKZBNSP-GJZGRUSLSA-N 1 0 336.392 0.552 20 5 ECBDRO CS(=O)(=O)CC1CCC([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000340304538 297466596 /nfs/dbraw/zinc/46/65/96/297466596.db2.gz BSIURVYRALUEPQ-UHFFFAOYSA-N 1 0 330.410 0.984 20 5 ECBDRO Cc1c(C(=O)N[C@H](C)C[NH+](C)C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000346238039 298243105 /nfs/dbraw/zinc/24/31/05/298243105.db2.gz ZQBKLYRFCCOTSM-MRVPVSSYSA-N 1 0 344.393 0.231 20 5 ECBDRO CCn1cc(S(=O)(=O)NC[C@@H]([NH3+])c2ccccc2)c([N+](=O)[O-])n1 ZINC000353213088 299023089 /nfs/dbraw/zinc/02/30/89/299023089.db2.gz BTAKYJBNCMLSDM-LLVKDONJSA-N 1 0 339.377 0.790 20 5 ECBDRO COc1ccc(NC(=O)C(=O)NC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000360575908 300000684 /nfs/dbraw/zinc/00/06/84/300000684.db2.gz FYCZCPCHRGZWNR-UHFFFAOYSA-N 1 0 336.348 0.752 20 5 ECBDRO COCCC[N@@H+]1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000363666515 300284657 /nfs/dbraw/zinc/28/46/57/300284657.db2.gz YDLKOVFNKJZNJW-UHFFFAOYSA-N 1 0 325.369 0.362 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000071028630 436000371 /nfs/dbraw/zinc/00/03/71/436000371.db2.gz WTNLIGQXBMYXEH-UHFFFAOYSA-N 1 0 340.299 0.976 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCN(c3ncccn3)CC2)c1 ZINC000072631928 436049323 /nfs/dbraw/zinc/04/93/23/436049323.db2.gz FYQVIZHCEKVPJY-AWEZNQCLSA-N 1 0 347.379 0.155 20 5 ECBDRO C[NH+](C)CCN1C[C@@H](C(=O)NCCc2ccccc2[N+](=O)[O-])CC1=O ZINC000074067108 436101770 /nfs/dbraw/zinc/10/17/70/436101770.db2.gz FUHFEUFVOJJDSP-AWEZNQCLSA-N 1 0 348.403 0.664 20 5 ECBDRO C[N@@H+]1CC[C@H](CNC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000073047197 436065680 /nfs/dbraw/zinc/06/56/80/436065680.db2.gz HYSMBPFIPMLIHP-LLVKDONJSA-N 1 0 335.360 0.976 20 5 ECBDRO NC(=O)NC(=O)OCCC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373584779 301068937 /nfs/dbraw/zinc/06/89/37/301068937.db2.gz MDFRLQDETGSMQQ-JTQLQIEISA-N 1 0 340.340 0.623 20 5 ECBDRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000377749364 301371756 /nfs/dbraw/zinc/37/17/56/301371756.db2.gz UBTNDHWFAPPSEX-HNNXBMFYSA-N 1 0 348.403 0.731 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCN(c3ncccn3)CC2)c1 ZINC000377886658 301387662 /nfs/dbraw/zinc/38/76/62/301387662.db2.gz FYQVIZHCEKVPJY-CQSZACIVSA-N 1 0 347.379 0.155 20 5 ECBDRO CC[N@H+](CCO)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000029839748 436210428 /nfs/dbraw/zinc/21/04/28/436210428.db2.gz NFYGZPGQSVNNQQ-UHFFFAOYSA-N 1 0 336.392 0.558 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000390159949 301452480 /nfs/dbraw/zinc/45/24/80/301452480.db2.gz ZMQIIVXUXDAREL-LLVKDONJSA-N 1 0 345.377 0.260 20 5 ECBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000090554310 436432583 /nfs/dbraw/zinc/43/25/83/436432583.db2.gz JACSCESDVOJSMA-UHFFFAOYSA-N 1 0 344.375 0.759 20 5 ECBDRO NC(=O)CC1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000048025049 436437612 /nfs/dbraw/zinc/43/76/12/436437612.db2.gz FPMVZDPCMSCINE-AWEZNQCLSA-N 1 0 337.376 0.922 20 5 ECBDRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000106895621 436605795 /nfs/dbraw/zinc/60/57/95/436605795.db2.gz FIFAMHFEFHECGT-GFCCVEGCSA-N 1 0 342.421 0.509 20 5 ECBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000060626300 436634337 /nfs/dbraw/zinc/63/43/37/436634337.db2.gz WJJOCEWNZBWYRZ-AWEZNQCLSA-N 1 0 334.376 0.925 20 5 ECBDRO COc1cc(S(=O)(=O)N2CC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000150809537 436691453 /nfs/dbraw/zinc/69/14/53/436691453.db2.gz LACKMKPJRNSTKT-JTQLQIEISA-N 1 0 329.378 0.928 20 5 ECBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000151057653 436695726 /nfs/dbraw/zinc/69/57/26/436695726.db2.gz XERXMVZOOHASRS-LBPRGKRZSA-N 1 0 340.384 0.201 20 5 ECBDRO CC[NH2+]CCNC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O ZINC000151343419 436700036 /nfs/dbraw/zinc/70/00/36/436700036.db2.gz JULSFWQWEAAURW-UHFFFAOYSA-N 1 0 345.359 0.788 20 5 ECBDRO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000194986811 436675813 /nfs/dbraw/zinc/67/58/13/436675813.db2.gz 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CC[N@H+](CCO)CCNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000274397274 436821698 /nfs/dbraw/zinc/82/16/98/436821698.db2.gz LYOMFWYXLKVKKG-UHFFFAOYSA-N 1 0 347.393 0.196 20 5 ECBDRO CNS(=O)(=O)[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000155673283 436800879 /nfs/dbraw/zinc/80/08/79/436800879.db2.gz MMWAMMJXUSSHCF-SNVBAGLBSA-N 1 0 340.361 0.860 20 5 ECBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000251438720 436830084 /nfs/dbraw/zinc/83/00/84/436830084.db2.gz CIZVHPWLDLLSIR-OLZOCXBDSA-N 1 0 336.392 0.920 20 5 ECBDRO COC[C@]1(CNS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000261630002 436878601 /nfs/dbraw/zinc/87/86/01/436878601.db2.gz CYJSZWRYALYEPF-CQSZACIVSA-N 1 0 343.405 0.950 20 5 ECBDRO CNS(=O)(=O)c1ccc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000261816761 436890225 /nfs/dbraw/zinc/89/02/25/436890225.db2.gz GWHWARQBPLONBJ-WDEREUQCSA-N 1 0 340.405 0.549 20 5 ECBDRO CS(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000162334188 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437139157 /nfs/dbraw/zinc/13/91/57/437139157.db2.gz YCRPFDKSWJBWCA-UHFFFAOYSA-N 1 0 328.394 0.773 20 5 ECBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)CN2CC[NH+](C)CC2)n1 ZINC000287366912 437182861 /nfs/dbraw/zinc/18/28/61/437182861.db2.gz NYDOYNBAYFTCQF-LLVKDONJSA-N 1 0 337.380 0.824 20 5 ECBDRO COc1ccc(OCC[NH+]2[C@@H](CO)CC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000287503556 437197309 /nfs/dbraw/zinc/19/73/09/437197309.db2.gz UDQXJMZOTYKZOM-VXGBXAGGSA-N 1 0 326.349 0.800 20 5 ECBDRO CCOC[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000178000967 437202927 /nfs/dbraw/zinc/20/29/27/437202927.db2.gz YRIXANZEQDQWCV-LLVKDONJSA-N 1 0 331.394 0.888 20 5 ECBDRO C[C@H]1[NH2+]CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000277550523 437231187 /nfs/dbraw/zinc/23/11/87/437231187.db2.gz YRCBCCKJXFAKDQ-NEPJUHHUSA-N 1 0 334.376 0.924 20 5 ECBDRO O=C(C[C@H]1C[NH2+]CCO1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000325608916 437231300 /nfs/dbraw/zinc/23/13/00/437231300.db2.gz SUVMVMAVGQSFQK-ZDUSSCGKSA-N 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/nfs/dbraw/zinc/77/47/58/437774758.db2.gz KCOFPSOUTDTOFL-RYUDHWBXSA-N 1 0 334.376 0.842 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423974377 437868171 /nfs/dbraw/zinc/86/81/71/437868171.db2.gz NIHGREHMOVXMIV-LSDHHAIUSA-N 1 0 342.355 0.628 20 5 ECBDRO COc1cc(OCC(=O)NC[C@@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC000423984054 437870911 /nfs/dbraw/zinc/87/09/11/437870911.db2.gz BDDMCHFCCYSMDA-NSHDSACASA-N 1 0 325.321 0.087 20 5 ECBDRO COCC[N@H+](C)CCNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000357127249 437919568 /nfs/dbraw/zinc/91/95/68/437919568.db2.gz IXYCXPULHYKPOI-UHFFFAOYSA-N 1 0 341.364 0.920 20 5 ECBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000424036407 437880333 /nfs/dbraw/zinc/88/03/33/437880333.db2.gz DZXQTBNXLKMXMS-INIZCTEOSA-N 1 0 348.403 0.993 20 5 ECBDRO C[NH+](C)C1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000342130353 437972465 /nfs/dbraw/zinc/97/24/65/437972465.db2.gz OIHAKHCFIZRDMH-UHFFFAOYSA-N 1 0 335.364 0.166 20 5 ECBDRO CN1C[C@H]2C[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000365817737 437975127 /nfs/dbraw/zinc/97/51/27/437975127.db2.gz CJSJOGDKLGEQKN-AWEZNQCLSA-N 1 0 347.375 0.975 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1CN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000366213175 438037068 /nfs/dbraw/zinc/03/70/68/438037068.db2.gz JWELBSZDIVARHY-GFCCVEGCSA-N 1 0 336.396 0.067 20 5 ECBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000427623641 438082603 /nfs/dbraw/zinc/08/26/03/438082603.db2.gz WXXSMXBBQYGLDJ-ZMLRMANQSA-N 1 0 338.412 0.941 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCN3CCOC[C@H]3C2)c1 ZINC000348759255 438093217 /nfs/dbraw/zinc/09/32/17/438093217.db2.gz AFWIOZALZVYESV-HUUCEWRRSA-N 1 0 337.376 0.351 20 5 ECBDRO O=C(CC[N@@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000366336694 438055777 /nfs/dbraw/zinc/05/57/77/438055777.db2.gz YRYTZIAOYSJRND-CHWSQXEVSA-N 1 0 346.343 0.518 20 5 ECBDRO C[NH+](C)[C@@]1(C(=O)NCCn2cc([N+](=O)[O-])cn2)CCCSC1 ZINC000372329953 438069888 /nfs/dbraw/zinc/06/98/88/438069888.db2.gz DVHVMKNKHUUQQU-ZDUSSCGKSA-N 1 0 327.410 0.735 20 5 ECBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000366427692 438071416 /nfs/dbraw/zinc/07/14/16/438071416.db2.gz JCSMHOQWGHCBPU-FRRDWIJNSA-N 1 0 337.380 0.501 20 5 ECBDRO O=C(NC[C@]1(N2CCOCC2)CCSC1)c1[nH]ncc1[N+](=O)[O-] ZINC000372361726 438079206 /nfs/dbraw/zinc/07/92/06/438079206.db2.gz RYZURWAYEVXISR-CYBMUJFWSA-N 1 0 341.393 0.256 20 5 ECBDRO O=[N+]([O-])c1cnc2ccc(N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)nn21 ZINC000367215097 438182451 /nfs/dbraw/zinc/18/24/51/438182451.db2.gz CXWIHMRACXWLMH-NEPJUHHUSA-N 1 0 332.364 0.673 20 5 ECBDRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000358213134 438184385 /nfs/dbraw/zinc/18/43/85/438184385.db2.gz OJYCFYLNQSGHMB-LBPRGKRZSA-N 1 0 349.796 0.593 20 5 ECBDRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000358219038 438184953 /nfs/dbraw/zinc/18/49/53/438184953.db2.gz XBSMQGGQJDUEET-CYBMUJFWSA-N 1 0 329.378 0.081 20 5 ECBDRO C[C@H](NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000418773403 438186585 /nfs/dbraw/zinc/18/65/85/438186585.db2.gz CHUNEHNFMMUOIR-NSHDSACASA-N 1 0 334.376 0.982 20 5 ECBDRO C[C@H]1C[N@H+](CCCNc2ccc3ncc([N+](=O)[O-])n3n2)CCCO1 ZINC000432878654 438215278 /nfs/dbraw/zinc/21/52/78/438215278.db2.gz JJLRJCZUCOVLBC-LBPRGKRZSA-N 1 0 334.380 1.550 20 5 ECBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000418875185 438230178 /nfs/dbraw/zinc/23/01/78/438230178.db2.gz WCJHWFQDMGHIPE-NWDGAFQWSA-N 1 0 334.376 0.462 20 5 ECBDRO C[C@@H]1CN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@H](C)C[NH2+]1 ZINC000418875187 438230460 /nfs/dbraw/zinc/23/04/60/438230460.db2.gz WCJHWFQDMGHIPE-VXGBXAGGSA-N 1 0 334.376 0.462 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000418946336 438259678 /nfs/dbraw/zinc/25/96/78/438259678.db2.gz OGTBHPREUYLMQZ-SNVBAGLBSA-N 1 0 336.348 0.040 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000418954137 438264326 /nfs/dbraw/zinc/26/43/26/438264326.db2.gz XEVPRHRCGLOBKT-CABZTGNLSA-N 1 0 336.348 0.025 20 5 ECBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418928431 438253099 /nfs/dbraw/zinc/25/30/99/438253099.db2.gz ZGIIBXFIGJPFKE-KBPBESRZSA-N 1 0 346.387 0.321 20 5 ECBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000368284184 438309459 /nfs/dbraw/zinc/30/94/59/438309459.db2.gz LCDRFQODTKRGSE-BXUZGUMPSA-N 1 0 349.391 0.803 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000389903752 438429842 /nfs/dbraw/zinc/42/98/42/438429842.db2.gz OROPJEYZWBNKLW-LBPRGKRZSA-N 1 0 329.378 0.560 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CC[NH3+])C(F)F ZINC000383325259 438416318 /nfs/dbraw/zinc/41/63/18/438416318.db2.gz SYRJWIODDGONHV-QMMMGPOBSA-N 1 0 339.320 0.864 20 5 ECBDRO CN(C(=O)C[NH2+][C@@H](CO)C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000359858728 438511033 /nfs/dbraw/zinc/51/10/33/438511033.db2.gz HZLYMBPOXZAMDG-HNNXBMFYSA-N 1 0 337.376 0.935 20 5 ECBDRO O=C(C[NH2+][C@@H](CO)C1CCOCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000359882090 438514873 /nfs/dbraw/zinc/51/48/73/438514873.db2.gz YCSMZFVNSSUOOM-HNNXBMFYSA-N 1 0 349.387 0.861 20 5 ECBDRO COC(=O)COc1ccc(C[NH2+]C[C@H](O)C(F)F)cc1[N+](=O)[O-] ZINC000353779776 438535656 /nfs/dbraw/zinc/53/56/56/438535656.db2.gz PGZBJNQVIDHKSA-JTQLQIEISA-N 1 0 334.275 0.862 20 5 ECBDRO C[C@@H](CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000353820138 438541584 /nfs/dbraw/zinc/54/15/84/438541584.db2.gz XUKNWQWGJPDKDU-NSHDSACASA-N 1 0 337.380 0.460 20 5 ECBDRO CO[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H](C[NH3+])C1 ZINC000440834571 438566704 /nfs/dbraw/zinc/56/67/04/438566704.db2.gz AKEASTQQMQUGNP-IUCAKERBSA-N 1 0 335.407 0.783 20 5 ECBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000408372075 438563653 /nfs/dbraw/zinc/56/36/53/438563653.db2.gz GVBRPPQPFCTYEW-LLVKDONJSA-N 1 0 337.380 0.654 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N[C@@H]2CCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000422868003 438613080 /nfs/dbraw/zinc/61/30/80/438613080.db2.gz UGGOXLGFBZUGLF-QWHCGFSZSA-N 1 0 334.376 0.877 20 5 ECBDRO C[NH2+]C[C@@H]1CCCN1C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000422892795 438613496 /nfs/dbraw/zinc/61/34/96/438613496.db2.gz NVZKTJVRGVNRRH-ZDUSSCGKSA-N 1 0 334.376 0.843 20 5 ECBDRO [NH3+][C@H]1CCC[C@H]1NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422936901 438618301 /nfs/dbraw/zinc/61/83/01/438618301.db2.gz NEWVWTMQGAZTNG-QWHCGFSZSA-N 1 0 328.394 0.343 20 5 ECBDRO CCO[C@@H]1COC[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451943103 438619737 /nfs/dbraw/zinc/61/97/37/438619737.db2.gz HJVXHRHACXKSCU-NWANDNLSSA-N 1 0 326.349 0.728 20 5 ECBDRO C[C@@H]1CC[NH2+]C[C@@H]1NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422979793 438623761 /nfs/dbraw/zinc/62/37/61/438623761.db2.gz KGWZKQPEDXBCRQ-NEPJUHHUSA-N 1 0 342.421 0.461 20 5 ECBDRO CCCc1n[nH]c(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c1[N+](=O)[O-] ZINC000452348355 438653225 /nfs/dbraw/zinc/65/32/25/438653225.db2.gz LHBNJMWOJNIBRM-NSHDSACASA-N 1 0 339.396 0.847 20 5 ECBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000493866740 438654396 /nfs/dbraw/zinc/65/43/96/438654396.db2.gz DFJBACXJWQTUIQ-KOABKASLSA-N 1 0 330.344 0.378 20 5 ECBDRO Cc1cc(C)c(S(=O)(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000493944565 438660025 /nfs/dbraw/zinc/66/00/25/438660025.db2.gz JREAGQOJCMUNCI-CQSZACIVSA-N 1 0 343.405 0.557 20 5 ECBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000495176935 438721666 /nfs/dbraw/zinc/72/16/66/438721666.db2.gz USWXIRUOVZOSAT-MPXOCVNLSA-N 1 0 334.332 0.126 20 5 ECBDRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccnc(N)c3[N+](=O)[O-])C2)CC1 ZINC000557598981 438802798 /nfs/dbraw/zinc/80/27/98/438802798.db2.gz ZOIHZKFFYGVIIT-LBPRGKRZSA-N 1 0 348.407 0.424 20 5 ECBDRO [NH3+]C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CCCO1 ZINC000577105326 438813328 /nfs/dbraw/zinc/81/33/28/438813328.db2.gz GUQXENFALOJUGG-NSHDSACASA-N 1 0 337.332 0.556 20 5 ECBDRO CNC(=O)c1ccc(N2CCC[C@](O)(C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000601189944 438828191 /nfs/dbraw/zinc/82/81/91/438828191.db2.gz XLQQENWLVHULMW-INIZCTEOSA-N 1 0 336.392 0.847 20 5 ECBDRO COC[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCOCC1 ZINC000595613668 438834569 /nfs/dbraw/zinc/83/45/69/438834569.db2.gz DGCGTURRVPXZMX-ZIAGYGMSSA-N 1 0 328.369 0.183 20 5 ECBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]CC1(O)CCCC1 ZINC000514855970 438834964 /nfs/dbraw/zinc/83/49/64/438834964.db2.gz JABYJOCEPGMCAW-UHFFFAOYSA-N 1 0 343.405 0.768 20 5 ECBDRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595630950 438837069 /nfs/dbraw/zinc/83/70/69/438837069.db2.gz DMEQLQMZIRKXIQ-SPWCGHHHSA-N 1 0 342.396 0.308 20 5 ECBDRO [NH3+][C@H]1C[C@H]2CN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)CCN2C1=O ZINC000514952068 438842660 /nfs/dbraw/zinc/84/26/60/438842660.db2.gz SBUDBGDHPNNPCO-RYUDHWBXSA-N 1 0 337.311 0.510 20 5 ECBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1COCCO1 ZINC000595735173 438851217 /nfs/dbraw/zinc/85/12/17/438851217.db2.gz DDQCUHJUXOPDLI-QWHCGFSZSA-N 1 0 326.349 0.682 20 5 ECBDRO NC(=O)c1ccnc(N2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000589557173 438875488 /nfs/dbraw/zinc/87/54/88/438875488.db2.gz MYYKZYWFBSLQMI-UHFFFAOYSA-N 1 0 328.332 0.810 20 5 ECBDRO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NCC12CC(C1)C[NH2+]2 ZINC000595987498 438907989 /nfs/dbraw/zinc/90/79/89/438907989.db2.gz MHCCZAVEFOFRLR-UHFFFAOYSA-N 1 0 347.375 0.262 20 5 ECBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000577961578 438885522 /nfs/dbraw/zinc/88/55/22/438885522.db2.gz WZIONZUXKWNHSM-AWEZNQCLSA-N 1 0 336.392 0.553 20 5 ECBDRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000516085386 438892082 /nfs/dbraw/zinc/89/20/82/438892082.db2.gz OKWSKSDWOAHXME-INIZCTEOSA-N 1 0 349.343 0.510 20 5 ECBDRO C[C@@]1(NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000595992855 438910263 /nfs/dbraw/zinc/91/02/63/438910263.db2.gz SXIZYAGNSLITAD-OAHLLOKOSA-N 1 0 335.364 0.262 20 5 ECBDRO NC(=O)c1cc(N2CC[NH+](C[C@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000596053286 438919352 /nfs/dbraw/zinc/91/93/52/438919352.db2.gz MUCWYMRRBZIYBG-CYBMUJFWSA-N 1 0 334.376 0.995 20 5 ECBDRO C[C@@]1(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH2+]C1 ZINC000596049927 438919474 /nfs/dbraw/zinc/91/94/74/438919474.db2.gz KJHGFBIASUBINU-CYBMUJFWSA-N 1 0 343.361 0.396 20 5 ECBDRO C[N@@H+]1CCC[C@H](N2CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)CC2)C1 ZINC000596128317 438928975 /nfs/dbraw/zinc/92/89/75/438928975.db2.gz HSBKYAFBXLDUNM-AWEZNQCLSA-N 1 0 347.419 0.910 20 5 ECBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596167657 438935440 /nfs/dbraw/zinc/93/54/40/438935440.db2.gz GTSUWLUKJDUALW-GFCCVEGCSA-N 1 0 334.380 0.315 20 5 ECBDRO CNc1nccc(C(=O)N(CCOC)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000578665347 438944348 /nfs/dbraw/zinc/94/43/48/438944348.db2.gz CIFIPHXUPABVCT-UHFFFAOYSA-N 1 0 325.369 0.682 20 5 ECBDRO C[NH2+]C[C@@](C)(O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000578778265 438953866 /nfs/dbraw/zinc/95/38/66/438953866.db2.gz NTEQNPCPBPTAGQ-CQSZACIVSA-N 1 0 342.421 0.385 20 5 ECBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCNS(=O)(=O)N(C)C ZINC000459543159 438974435 /nfs/dbraw/zinc/97/44/35/438974435.db2.gz XHSJBKCFMKXWAV-FMIVXFBMSA-N 1 0 342.421 0.984 20 5 ECBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000579129452 438983327 /nfs/dbraw/zinc/98/33/27/438983327.db2.gz QTXAZTWNFCTSCT-LLVKDONJSA-N 1 0 339.396 0.854 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCO[C@]3(CCSC3)C2)c1 ZINC000566066302 439001213 /nfs/dbraw/zinc/00/12/13/439001213.db2.gz LQNVHBJUZLRRRJ-QWHCGFSZSA-N 1 0 328.394 0.360 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000591346263 439004612 /nfs/dbraw/zinc/00/46/12/439004612.db2.gz BIUFDRSDEUFUPK-IINYFYTJSA-N 1 0 338.364 0.861 20 5 ECBDRO CNc1ccc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000566095427 439004758 /nfs/dbraw/zinc/00/47/58/439004758.db2.gz DALSDVUEWSJVAP-QWHCGFSZSA-N 1 0 344.375 0.937 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2cn3c(n2)SCC3)c1 ZINC000566130897 439009422 /nfs/dbraw/zinc/00/94/22/439009422.db2.gz FEEYRSKOQWIHED-GFCCVEGCSA-N 1 0 338.393 0.287 20 5 ECBDRO Cc1cc(=O)c(C(=O)N(C)CCC[NH3+])nn1-c1ccccc1[N+](=O)[O-] ZINC000591678684 439061175 /nfs/dbraw/zinc/06/11/75/439061175.db2.gz DMHAEEGEOKQRFT-UHFFFAOYSA-N 1 0 345.359 0.870 20 5 ECBDRO Cc1ccc([C@@H](C)NC(=O)NCC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000579572063 439019258 /nfs/dbraw/zinc/01/92/58/439019258.db2.gz WXVBIAJGFUSTPH-GFCCVEGCSA-N 1 0 349.391 0.695 20 5 ECBDRO C[C@H](C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)[NH+](C)C ZINC000602155792 439026653 /nfs/dbraw/zinc/02/66/53/439026653.db2.gz RPBRVKFGEAIZSE-GFCCVEGCSA-N 1 0 334.376 0.829 20 5 ECBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCN(C)C[C@H]2C[NH3+])c1 ZINC000566301232 439037755 /nfs/dbraw/zinc/03/77/55/439037755.db2.gz UOUVHWMCWZEBNF-GFCCVEGCSA-N 1 0 342.421 0.475 20 5 ECBDRO CCc1cccc(NC(=O)C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000591728897 439077504 /nfs/dbraw/zinc/07/75/04/439077504.db2.gz VQRHMAGYYRJKGK-HNNXBMFYSA-N 1 0 347.375 0.943 20 5 ECBDRO C[S@](=O)c1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000591749930 439079383 /nfs/dbraw/zinc/07/93/83/439079383.db2.gz PFWCWCKRGSZMSK-NPMABZOXSA-N 1 0 338.389 0.679 20 5 ECBDRO CC(=O)N1CC[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000591754296 439080809 /nfs/dbraw/zinc/08/08/09/439080809.db2.gz IATBOYLYVCCBQW-GFCCVEGCSA-N 1 0 341.389 0.579 20 5 ECBDRO CN1Cc2ccccc2[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000591757254 439082902 /nfs/dbraw/zinc/08/29/02/439082902.db2.gz DYXJARLOVCQUIM-HOCLYGCPSA-N 1 0 331.376 0.929 20 5 ECBDRO Cc1cn2c(n1)[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000591757160 439083216 /nfs/dbraw/zinc/08/32/16/439083216.db2.gz MONQHSVGGUORPC-JSGCOSHPSA-N 1 0 334.380 0.824 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCOCC[NH+](C)C ZINC000471632595 439085474 /nfs/dbraw/zinc/08/54/74/439085474.db2.gz BZQFLGHHNODQNF-UHFFFAOYSA-N 1 0 340.380 0.981 20 5 ECBDRO COc1cc(CCNC(=O)COCC[NH3+])c([N+](=O)[O-])cc1OC ZINC000591939975 439120067 /nfs/dbraw/zinc/12/00/67/439120067.db2.gz NMUQMOTZJUONKZ-UHFFFAOYSA-N 1 0 327.337 0.246 20 5 ECBDRO C[NH+]1CCC2(CC1)CN(c1cc(N)c([N+](=O)[O-])c(CO)c1)CCO2 ZINC000591992162 439127682 /nfs/dbraw/zinc/12/76/82/439127682.db2.gz PMJUZIQDDZVBPW-UHFFFAOYSA-N 1 0 336.392 0.970 20 5 ECBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000567377120 439138096 /nfs/dbraw/zinc/13/80/96/439138096.db2.gz RNWQMDKCIGUDLQ-UHFFFAOYSA-N 1 0 334.376 0.682 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H](CO)C2CCCCC2)c1 ZINC000580893273 439144418 /nfs/dbraw/zinc/14/44/18/439144418.db2.gz QTQZCCMIJWOYGQ-UKRRQHHQSA-N 1 0 326.397 0.931 20 5 ECBDRO CN(C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)[C@@H]1CC[NH2+]C1 ZINC000581006323 439156750 /nfs/dbraw/zinc/15/67/50/439156750.db2.gz IJWRQUVZMMQZNE-SNVBAGLBSA-N 1 0 327.362 0.432 20 5 ECBDRO COc1cc(OCC(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000592310835 439199904 /nfs/dbraw/zinc/19/99/04/439199904.db2.gz YXEFRUNOMFDUQD-QMTHXVAHSA-N 1 0 339.348 0.557 20 5 ECBDRO C[NH+](C)C[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccc(F)cc1 ZINC000488903909 439207709 /nfs/dbraw/zinc/20/77/09/439207709.db2.gz SYEZJDDCARASNX-LBPRGKRZSA-N 1 0 336.327 0.745 20 5 ECBDRO [NH3+][C@H]1C[C@@H](NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592381925 439216279 /nfs/dbraw/zinc/21/62/79/439216279.db2.gz AAFNYIVUQGMKCU-OCAPTIKFSA-N 1 0 329.334 0.134 20 5 ECBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000568783501 439278912 /nfs/dbraw/zinc/27/89/12/439278912.db2.gz VRWGVMJKZLRHBU-NWDGAFQWSA-N 1 0 347.375 0.987 20 5 ECBDRO CC(C)C(=O)NCC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000582057283 439284963 /nfs/dbraw/zinc/28/49/63/439284963.db2.gz BZPKIODQVJUPLX-UHFFFAOYSA-N 1 0 343.405 0.730 20 5 ECBDRO COCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCO[C@@H]1C ZINC000489447166 439228312 /nfs/dbraw/zinc/22/83/12/439228312.db2.gz KBSGIBGMUKZFTG-XBFCOCLRSA-N 1 0 328.369 0.278 20 5 ECBDRO Cc1c(C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000598188599 439237222 /nfs/dbraw/zinc/23/72/22/439237222.db2.gz VJNXHZFLUFTZHR-UHFFFAOYSA-N 1 0 336.392 0.995 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCC[NH2+]C1CC1 ZINC000592567648 439257427 /nfs/dbraw/zinc/25/74/27/439257427.db2.gz SWKYOZLTPYTDMN-NSHDSACASA-N 1 0 334.376 0.971 20 5 ECBDRO C[C@@H]1[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC[N@@H+]1C ZINC000592749248 439272281 /nfs/dbraw/zinc/27/22/81/439272281.db2.gz MCKRQCDBALHKEK-TZMCWYRMSA-N 1 0 333.392 0.979 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CNC[C@@H](O)C[NH+]1CCCC1 ZINC000582063257 439286718 /nfs/dbraw/zinc/28/67/18/439286718.db2.gz VRXCMNVLPDRDKM-ZIAGYGMSSA-N 1 0 339.392 0.381 20 5 ECBDRO COC[C@H]1C[C@@H](O)C[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000593066410 439338169 /nfs/dbraw/zinc/33/81/69/439338169.db2.gz CPLUGDNJBSBCOO-MCIONIFRSA-N 1 0 326.349 0.416 20 5 ECBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598663861 439297788 /nfs/dbraw/zinc/29/77/88/439297788.db2.gz AHQSNLLTIIFEDW-GXFFZTMASA-N 1 0 335.364 0.831 20 5 ECBDRO CCc1ccc(S(=O)(=O)NCCOCC[NH2+]C)cc1[N+](=O)[O-] ZINC000599108226 439360732 /nfs/dbraw/zinc/36/07/32/439360732.db2.gz UBKCOQHRHKPTDJ-UHFFFAOYSA-N 1 0 331.394 0.672 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCOCCC[NH3+] ZINC000599109994 439362354 /nfs/dbraw/zinc/36/23/54/439362354.db2.gz BIILSCOMNKRAQX-UHFFFAOYSA-N 1 0 333.366 0.247 20 5 ECBDRO NC(=O)c1cc(NCCC[N@H+]2CCC[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000599131014 439365818 /nfs/dbraw/zinc/36/58/18/439365818.db2.gz NHAKTKPUGBPFNT-ZDUSSCGKSA-N 1 0 335.364 0.445 20 5 ECBDRO COc1ccc(NC(=O)N2CC(N3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000593177956 439351070 /nfs/dbraw/zinc/35/10/70/439351070.db2.gz HYDKWHJQTPYHBA-GFCCVEGCSA-N 1 0 336.348 0.886 20 5 ECBDRO COc1ccc(S(=O)(=O)NCC2([NH3+])CCOCC2)cc1[N+](=O)[O-] ZINC000599101839 439356467 /nfs/dbraw/zinc/35/64/67/439356467.db2.gz IJLKJSXPGBSFDM-UHFFFAOYSA-N 1 0 345.377 0.390 20 5 ECBDRO CC(=O)c1ccc(OC[C@H](O)CN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000593335457 439369471 /nfs/dbraw/zinc/36/94/71/439369471.db2.gz BKISWAKOTBSNKE-CQSZACIVSA-N 1 0 337.376 0.785 20 5 ECBDRO [NH3+][C@@H]1C[C@H]2CN(c3ccc([N+](=O)[O-])c4cccnc43)CCN2C1=O ZINC000582857040 439390144 /nfs/dbraw/zinc/39/01/44/439390144.db2.gz HLDFLOUOFBPAAS-CMPLNLGQSA-N 1 0 327.344 0.891 20 5 ECBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H]1C ZINC000599245849 439396607 /nfs/dbraw/zinc/39/66/07/439396607.db2.gz YHIXJNKRAGBPRI-GHMZBOCLSA-N 1 0 345.425 0.822 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC(N3CC[C@@H](O)C3)C2)cc1 ZINC000593649745 439435464 /nfs/dbraw/zinc/43/54/64/439435464.db2.gz CJFKUGIDOSSRDV-GFCCVEGCSA-N 1 0 327.362 0.034 20 5 ECBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC000593649771 439436229 /nfs/dbraw/zinc/43/62/29/439436229.db2.gz DSNSRYGBSAZIDZ-GFCCVEGCSA-N 1 0 341.389 0.343 20 5 ECBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000583227774 439436402 /nfs/dbraw/zinc/43/64/02/439436402.db2.gz ZNNKILRZIPLLHV-FZMZJTMJSA-N 1 0 326.349 0.657 20 5 ECBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(N2CCOCC2)CC1 ZINC000599472759 439484235 /nfs/dbraw/zinc/48/42/35/439484235.db2.gz PDBIEDKGBLBYDC-UHFFFAOYSA-N 1 0 336.392 0.553 20 5 ECBDRO CCO[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1C[NH3+] ZINC000593916965 439495214 /nfs/dbraw/zinc/49/52/14/439495214.db2.gz SFMUPJVTGGTDNZ-NOZJJQNGSA-N 1 0 333.348 0.907 20 5 ECBDRO COC(=O)C1C[C@H](C)[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000599688665 439535489 /nfs/dbraw/zinc/53/54/89/439535489.db2.gz LIKNIWLONFCOMD-COPLHBTASA-N 1 0 340.380 0.814 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)N(C)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000584052347 439543438 /nfs/dbraw/zinc/54/34/38/439543438.db2.gz FMVRCSVAXCUSTP-SECBINFHSA-N 1 0 343.361 0.364 20 5 ECBDRO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000609257708 439555544 /nfs/dbraw/zinc/55/55/44/439555544.db2.gz JBOLPZAYVJGVKN-GFCCVEGCSA-N 1 0 330.348 1.000 20 5 ECBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]CC2(O)CCC2)c1 ZINC000572148840 439560606 /nfs/dbraw/zinc/56/06/06/439560606.db2.gz FBIZOLZKQPUZJX-UHFFFAOYSA-N 1 0 329.378 0.378 20 5 ECBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000609306844 439562626 /nfs/dbraw/zinc/56/26/26/439562626.db2.gz FIZBYXKCIQWSJG-ZDUSSCGKSA-N 1 0 349.391 0.488 20 5 ECBDRO C[NH2+]CCOCCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000599917820 439575704 /nfs/dbraw/zinc/57/57/04/439575704.db2.gz KBQBNAXWEXPPCO-UHFFFAOYSA-N 1 0 336.352 0.506 20 5 ECBDRO O=C(NC[C@H]1COCC[NH2+]1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000599940420 439580235 /nfs/dbraw/zinc/58/02/35/439580235.db2.gz POIYLXUWQWPYBK-NSHDSACASA-N 1 0 338.368 0.126 20 5 ECBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000609665535 439583590 /nfs/dbraw/zinc/58/35/90/439583590.db2.gz UEJAJJQOJQGARX-CYBMUJFWSA-N 1 0 335.408 0.785 20 5 ECBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)C[C@H]21 ZINC000600001032 439592895 /nfs/dbraw/zinc/59/28/95/439592895.db2.gz YDHNDBLOIMZRIR-NHAGDIPZSA-N 1 0 342.359 0.808 20 5 ECBDRO O=[N+]([O-])c1cccnc1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000594752056 439600881 /nfs/dbraw/zinc/60/08/81/439600881.db2.gz INWNKJAZTKHIHE-NSHDSACASA-N 1 0 326.378 0.849 20 5 ECBDRO C[C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[NH+]1CC(C)C1 ZINC000572778406 439609173 /nfs/dbraw/zinc/60/91/73/439609173.db2.gz HRGHQLMEOSFMAR-CYBMUJFWSA-N 1 0 333.392 0.979 20 5 ECBDRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000595109079 439654150 /nfs/dbraw/zinc/65/41/50/439654150.db2.gz XZMDINVLGIIEOO-ADEWGFFLSA-N 1 0 326.378 0.738 20 5 ECBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000610971910 439663710 /nfs/dbraw/zinc/66/37/10/439663710.db2.gz POKPTPVWXIXRIF-OLZOCXBDSA-N 1 0 334.376 0.842 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000600470896 439667435 /nfs/dbraw/zinc/66/74/35/439667435.db2.gz JOWYAJXFDZEKOU-CYBMUJFWSA-N 1 0 334.376 0.890 20 5 ECBDRO CC(C)(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)N1CCCC1 ZINC000600756804 439699736 /nfs/dbraw/zinc/69/97/36/439699736.db2.gz PSUVYHHBBRFKON-CYBMUJFWSA-N 1 0 339.396 0.390 20 5 ECBDRO Nc1cc(N2CC[C@@H](C[NH+]3CCOCC3)C2)cc(CO)c1[N+](=O)[O-] ZINC000611525870 439702797 /nfs/dbraw/zinc/70/27/97/439702797.db2.gz LUQWOTRHCQJTDS-LBPRGKRZSA-N 1 0 336.392 0.828 20 5 ECBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000600807298 439704595 /nfs/dbraw/zinc/70/45/95/439704595.db2.gz AMWLPZGNYHCLFU-NSHDSACASA-N 1 0 346.343 0.645 20 5 ECBDRO Cc1c(NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000595230193 439676256 /nfs/dbraw/zinc/67/62/56/439676256.db2.gz MFXBWNSUNBVIEY-GHMZBOCLSA-N 1 0 333.348 0.679 20 5 ECBDRO COc1ccc(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)cc1[N+](=O)[O-] ZINC000595251677 439682114 /nfs/dbraw/zinc/68/21/14/439682114.db2.gz SDVCFJGGCDTIEL-UHFFFAOYSA-N 1 0 334.332 0.492 20 5 ECBDRO Cn1ccnc1[C@H](NC[C@@H]1COCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000600710371 439693670 /nfs/dbraw/zinc/69/36/70/439693670.db2.gz NNSJXLGRMFZCTL-UKRRQHHQSA-N 1 0 331.376 0.996 20 5 ECBDRO COC[C@@H](C)C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000187738256 320537750 /nfs/dbraw/zinc/53/77/50/320537750.db2.gz GPMDRNNCEBJKIS-NSHDSACASA-N 1 0 331.394 0.745 20 5 ECBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000345933594 321208660 /nfs/dbraw/zinc/20/86/60/321208660.db2.gz XSUCMRRGBJCHQE-LLVKDONJSA-N 1 0 325.369 0.626 20 5 ECBDRO CCC[N@H+](CCN1CCCC1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352876689 321374306 /nfs/dbraw/zinc/37/43/06/321374306.db2.gz OLQOHCBROGEVAO-HNNXBMFYSA-N 1 0 325.413 0.960 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H](O)COc2ccccc2)c1 ZINC000562449925 322274856 /nfs/dbraw/zinc/27/48/56/322274856.db2.gz WYTUUPOORMZFAA-ZIAGYGMSSA-N 1 0 336.348 0.182 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H](O)COc2ccccc2)c1 ZINC000562449923 322274915 /nfs/dbraw/zinc/27/49/15/322274915.db2.gz WYTUUPOORMZFAA-KGLIPLIRSA-N 1 0 336.348 0.182 20 5 ECBDRO C[C@@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000564852037 322399824 /nfs/dbraw/zinc/39/98/24/322399824.db2.gz UPCHJGHCGYZJOX-QWRGUYRKSA-N 1 0 332.378 0.357 20 5 ECBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)CN1c2cc([N+](=O)[O-])ccc2OCC1=O ZINC000565421966 322455420 /nfs/dbraw/zinc/45/54/20/322455420.db2.gz HINLLZMFBPORBG-ZJUUUORDSA-N 1 0 336.348 0.562 20 5 ECBDRO CC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](O)C(F)(F)F ZINC000566231787 322515865 /nfs/dbraw/zinc/51/58/65/322515865.db2.gz UDNNZFLOXCBFRQ-KXUCPTDWSA-N 1 0 326.275 0.444 20 5 ECBDRO CC(C)c1n[nH]c(C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)c1[N+](=O)[O-] ZINC000566518555 322540666 /nfs/dbraw/zinc/54/06/66/322540666.db2.gz LADMGLCZOUYNSW-SECBINFHSA-N 1 0 340.384 0.237 20 5 ECBDRO Cc1nn(CCC(=O)N2CCCO[C@@H](C[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000569455084 322654024 /nfs/dbraw/zinc/65/40/24/322654024.db2.gz FUJKVPHFIDSWSF-LBPRGKRZSA-N 1 0 325.369 0.374 20 5 ECBDRO C[C@H](CCC[NH3+])NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000571088369 322710260 /nfs/dbraw/zinc/71/02/60/322710260.db2.gz GYLBCXHHMDRDSY-SNVBAGLBSA-N 1 0 344.393 0.117 20 5 ECBDRO CN(CCC[NH3+])C(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000572015664 322738034 /nfs/dbraw/zinc/73/80/34/322738034.db2.gz AUZSNFHGYNXJPL-UHFFFAOYSA-N 1 0 328.756 0.672 20 5 ECBDRO C[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[NH+]1CC(C)C1 ZINC000572778407 322751085 /nfs/dbraw/zinc/75/10/85/322751085.db2.gz HRGHQLMEOSFMAR-ZDUSSCGKSA-N 1 0 333.392 0.979 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H](CO)c2ccc(F)cc2)c1 ZINC000575749243 322795761 /nfs/dbraw/zinc/79/57/61/322795761.db2.gz OLFHLEGKPLYPOJ-SWLSCSKDSA-N 1 0 338.339 0.657 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCOc2ncccc2Cl)c1 ZINC000580434544 322925533 /nfs/dbraw/zinc/92/55/33/322925533.db2.gz AAYAISBKLBDCTC-NSHDSACASA-N 1 0 341.755 0.869 20 5 ECBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)c1[N+](=O)[O-] ZINC000190084838 533707967 /nfs/dbraw/zinc/70/79/67/533707967.db2.gz MDYYSUIIWQEXOD-AWEZNQCLSA-N 1 0 345.421 0.803 20 5 ECBDRO CCC[N@@H+](CC(=O)NC)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181567360 527890185 /nfs/dbraw/zinc/89/01/85/527890185.db2.gz NSLJUXPELMQUSP-GFCCVEGCSA-N 1 0 325.365 0.793 20 5 ECBDRO CC[N@H+](CCO)CCNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000184342181 528551406 /nfs/dbraw/zinc/55/14/06/528551406.db2.gz USYFIBXOUODTJK-UHFFFAOYSA-N 1 0 345.421 0.804 20 5 ECBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@H](O)C[NH+]3CCCC3)C2)nc1 ZINC000749323223 579336569 /nfs/dbraw/zinc/33/65/69/579336569.db2.gz FBCODCMYSQGKLC-UKRRQHHQSA-N 1 0 335.408 0.933 20 5 ECBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000726163891 578138587 /nfs/dbraw/zinc/13/85/87/578138587.db2.gz OQPBYZYLYHBJBR-GHMZBOCLSA-N 1 0 349.343 0.917 20 5 ECBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000732149756 578320270 /nfs/dbraw/zinc/32/02/70/578320270.db2.gz OREKMBSEZNSZEY-CQSZACIVSA-N 1 0 346.391 0.307 20 5 ECBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000733161177 578333214 /nfs/dbraw/zinc/33/32/14/578333214.db2.gz JOCZDPWYKNPMFI-LBPRGKRZSA-N 1 0 335.408 0.933 20 5 ECBDRO COCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000737007646 578473015 /nfs/dbraw/zinc/47/30/15/578473015.db2.gz PDIBFWHIHRAQFP-SNVBAGLBSA-N 1 0 333.352 0.908 20 5 ECBDRO CC(C)([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)N1CCCC1 ZINC000796581714 578626355 /nfs/dbraw/zinc/62/63/55/578626355.db2.gz HVEBIKXUKNLXKW-LBPRGKRZSA-N 1 0 325.369 0.143 20 5 ECBDRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000783296297 578740950 /nfs/dbraw/zinc/74/09/50/578740950.db2.gz MNTFVRTWHGZZNM-VIFPVBQESA-N 1 0 344.755 0.225 20 5 ECBDRO CC(C)[NH+]1CCN(CCCOC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000792092289 578900282 /nfs/dbraw/zinc/90/02/82/578900282.db2.gz YEWPVSZHQNDZPJ-UHFFFAOYSA-N 1 0 339.396 0.901 20 5 ECBDRO CC[N@H+](CCO)CCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000769635814 579149266 /nfs/dbraw/zinc/14/92/66/579149266.db2.gz PSMPNHSQTGVQJY-UHFFFAOYSA-N 1 0 335.364 0.375 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000743265360 579796213 /nfs/dbraw/zinc/79/62/13/579796213.db2.gz WBRIDBCFMLNGTD-ZDUSSCGKSA-N 1 0 326.353 0.428 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896581981 586260674 /nfs/dbraw/zinc/26/06/74/586260674.db2.gz OZBNQXNJIVACFS-RISCZKNCSA-N 1 0 336.392 0.968 20 5 ECBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@@](O)(C[NH+](C)C)C1 ZINC000895010024 586424419 /nfs/dbraw/zinc/42/44/19/586424419.db2.gz KPOPGYRUSDVNCH-LLVKDONJSA-N 1 0 337.302 0.850 20 5 ECBDRO O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)cn1 ZINC000903724509 586802357 /nfs/dbraw/zinc/80/23/57/586802357.db2.gz OETXFIVXDRPSLO-DOTOQJQBSA-N 1 0 347.419 0.880 20 5 ECBDRO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839721681 586890203 /nfs/dbraw/zinc/89/02/03/586890203.db2.gz NMFSZQOLYLCEQQ-ARFHVFGLSA-N 1 0 333.388 0.925 20 5 ECBDRO O=C(CC[N@H+]1CC[C@@H](CO)[C@H](O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000808750490 587161034 /nfs/dbraw/zinc/16/10/34/587161034.db2.gz KQMSCKWUNKBFNQ-IINYFYTJSA-N 1 0 341.339 0.738 20 5 ECBDRO O=C1NC(=O)C2(CCC([NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)N1 ZINC000809733247 587182335 /nfs/dbraw/zinc/18/23/35/587182335.db2.gz SNSMHGYYQPJLSD-RYCVTPFZSA-N 1 0 348.359 0.739 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(C(=O)O[C@@H]2CCCN(c3cc[nH+]c(N)n3)C2)n1 ZINC000810769003 587203289 /nfs/dbraw/zinc/20/32/89/587203289.db2.gz AWJLKLPAAKGFFP-SECBINFHSA-N 1 0 347.335 0.526 20 5 ECBDRO CN1CC[NH+](CC2CN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C2)CC1 ZINC000816751782 587323364 /nfs/dbraw/zinc/32/33/64/587323364.db2.gz DVZBKYIWBOIZLL-UHFFFAOYSA-N 1 0 333.392 0.496 20 5 ECBDRO CC(C)(C)NS(=O)(=O)CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818953030 587462283 /nfs/dbraw/zinc/46/22/83/587462283.db2.gz GRYACXQEEMRPCV-ZDUSSCGKSA-N 1 0 345.421 0.936 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000819111664 587469149 /nfs/dbraw/zinc/46/91/49/587469149.db2.gz ROKKMAJMHYFZNH-CYBMUJFWSA-N 1 0 335.320 0.893 20 5 ECBDRO O=C(CO[C@H]1CCC[NH2+]C1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000844186809 589101169 /nfs/dbraw/zinc/10/11/69/589101169.db2.gz WRMPVBCZMPJNKX-JSGCOSHPSA-N 1 0 349.391 0.771 20 5 ECBDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)CCC(C)(C)[N+](=O)[O-])CC2)C1=O ZINC000820633573 587546443 /nfs/dbraw/zinc/54/64/43/587546443.db2.gz YOLAVMRMOUPALJ-CYBMUJFWSA-N 1 0 340.424 0.633 20 5 ECBDRO CC[C@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000820907456 587563098 /nfs/dbraw/zinc/56/30/98/587563098.db2.gz CWXLAPCELRNGCC-LLVKDONJSA-N 1 0 347.379 0.668 20 5 ECBDRO C[NH+]1CCC(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 ZINC000822220729 587648781 /nfs/dbraw/zinc/64/87/81/587648781.db2.gz FANLAAPKTFVKEF-UHFFFAOYSA-N 1 0 346.343 0.401 20 5 ECBDRO O=[N+]([O-])c1cccc(-n2cc(-c3nc(N4CC[NH2+]CC4)no3)nn2)c1 ZINC000823314276 587715640 /nfs/dbraw/zinc/71/56/40/587715640.db2.gz BLOGXCZUEKEOJH-UHFFFAOYSA-N 1 0 342.319 0.635 20 5 ECBDRO COCC[N@H+](C)CCCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824999614 587910526 /nfs/dbraw/zinc/91/05/26/587910526.db2.gz OSYZOEFHXBTIRF-AWEZNQCLSA-N 1 0 325.365 0.713 20 5 ECBDRO Cc1nn(CN2CCN(Cc3nccn3C)CC2)c(C)c1[N+](=O)[O-] ZINC000106063789 589172972 /nfs/dbraw/zinc/17/29/72/589172972.db2.gz ZOLCXLZKKMSKSS-UHFFFAOYSA-N 1 0 333.396 0.917 20 5 ECBDRO CN(CC1C[NH+](C)C1)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000853553587 589547989 /nfs/dbraw/zinc/54/79/89/589547989.db2.gz QGDIBFXSXHKZJN-UHFFFAOYSA-N 1 0 347.375 0.814 20 5 ECBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000857768703 589704125 /nfs/dbraw/zinc/70/41/25/589704125.db2.gz WGGJZTRHHHAUFT-JTQLQIEISA-N 1 0 328.275 0.647 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@]3(C2)CCC[NH2+]C3)n1 ZINC000858611858 589759522 /nfs/dbraw/zinc/75/95/22/589759522.db2.gz ULDJCFPIRPAYRN-GFCCVEGCSA-N 1 0 329.382 0.093 20 5 ECBDRO CCN(CC[NH3+])S(=O)(=O)c1ccc(NC(=O)OC)c([N+](=O)[O-])c1 ZINC000858619737 589760210 /nfs/dbraw/zinc/76/02/10/589760210.db2.gz TUUGFCXJFLBRCO-UHFFFAOYSA-N 1 0 346.365 0.742 20 5 ECBDRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000866708710 589760746 /nfs/dbraw/zinc/76/07/46/589760746.db2.gz NYJCLMAUTPUORI-KFWWJZLASA-N 1 0 332.360 0.962 20 5 ECBDRO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861716558 589879109 /nfs/dbraw/zinc/87/91/09/589879109.db2.gz RPWWGPNYHSGUII-RBSFLKMASA-N 1 0 335.360 0.296 20 5 ECBDRO CON(C)C(=O)[C@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000863588055 590025854 /nfs/dbraw/zinc/02/58/54/590025854.db2.gz ZMDYADFJJRDQKR-QWRGUYRKSA-N 1 0 327.337 0.332 20 5 ECBDRO CN1Cc2ccccc2[C@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000872235242 590106867 /nfs/dbraw/zinc/10/68/67/590106867.db2.gz DXPGPBNDTFOTME-GOEBONIOSA-N 1 0 331.376 0.929 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCO[C@@H](C(F)(F)F)CC2)c1 ZINC000880047706 590363724 /nfs/dbraw/zinc/36/37/24/590363724.db2.gz XFCWOJVHUWXEQH-GHMZBOCLSA-N 1 0 338.286 0.805 20 5 ECBDRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000876469637 590377863 /nfs/dbraw/zinc/37/78/63/590377863.db2.gz FVNCWGDCKPBZEG-CQSZACIVSA-N 1 0 327.337 0.607 20 5 ECBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889781086 591094876 /nfs/dbraw/zinc/09/48/76/591094876.db2.gz LICYIRWSMJDOKN-HUUCEWRRSA-N 1 0 334.376 0.969 20 5 ECBDRO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H](O)CN1CCOCC1 ZINC000178866326 609132667 /nfs/dbraw/zinc/13/26/67/609132667.db2.gz OPUGBCFTDRNYOP-CVEARBPZSA-N 1 0 339.392 0.253 20 5 ECBDRO Cn1cc(CCC[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000920760401 609692268 /nfs/dbraw/zinc/69/22/68/609692268.db2.gz JFAYMDBLTLDOLU-HZPDHXFCSA-N 1 0 334.376 0.945 20 5 ECBDRO COCCNC(=O)[C@@H]1CC[C@H](C)N(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000921053528 609697250 /nfs/dbraw/zinc/69/72/50/609697250.db2.gz AZCKXYUSFUEBCM-NWDGAFQWSA-N 1 0 325.369 0.612 20 5 ECBDRO CN1CC[NH2+]C[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000911973646 609925273 /nfs/dbraw/zinc/92/52/73/609925273.db2.gz 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336.392 0.697 20 5 ECBDRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000419158776 209005989 /nfs/dbraw/zinc/00/59/89/209005989.db2.gz YFQKCFQYBNNXFS-VTPLQMEGSA-N 1 0 346.387 0.968 20 5 ECBDRO [NH3+]C[C@@H]1CCCN1C(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000419162975 209007600 /nfs/dbraw/zinc/00/76/00/209007600.db2.gz IIOWTBRDOBQFFP-NSHDSACASA-N 1 0 340.767 0.814 20 5 ECBDRO CC(C)([NH3+])CNC(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000419348750 209066161 /nfs/dbraw/zinc/06/61/61/209066161.db2.gz LLCXNNIEUZXMTC-UHFFFAOYSA-N 1 0 336.392 0.887 20 5 ECBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419348381 209066205 /nfs/dbraw/zinc/06/62/05/209066205.db2.gz LGDPRHCCBCEDDA-AWEZNQCLSA-N 1 0 348.403 0.902 20 5 ECBDRO COC(=O)[C@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000191867846 533432520 /nfs/dbraw/zinc/43/25/20/533432520.db2.gz ATYVCLHCGGGASB-DRZSPHRISA-N 1 0 326.353 0.283 20 5 ECBDRO [NH3+]CC1(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCOCC1 ZINC000262312866 135624222 /nfs/dbraw/zinc/62/42/22/135624222.db2.gz ZDPDMIRWYRNGKP-UHFFFAOYSA-N 1 0 348.403 0.999 20 5 ECBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H](C)C[NH2+]C ZINC000429234305 286933414 /nfs/dbraw/zinc/93/34/14/286933414.db2.gz GQWBCYPZXJPODK-GXSJLCMTSA-N 1 0 326.401 0.799 20 5 ECBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000119688399 164658214 /nfs/dbraw/zinc/65/82/14/164658214.db2.gz ZNQCANGBZIPDRD-UHFFFAOYSA-N 1 0 332.364 0.927 20 5 ECBDRO COc1ccc(S(=O)(=O)NCC2=CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000189295717 165008815 /nfs/dbraw/zinc/00/88/15/165008815.db2.gz KFLDBSJEVHMQKK-UHFFFAOYSA-N 1 0 327.362 0.801 20 5 ECBDRO CC[NH+]1CCN(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000193101709 165052953 /nfs/dbraw/zinc/05/29/53/165052953.db2.gz KRNWJKMWVMNISC-UHFFFAOYSA-N 1 0 342.421 0.511 20 5 ECBDRO COC[C@@]1(CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCC[NH2+]1 ZINC000261646950 165221024 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329.378 0.961 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000262300824 165325595 /nfs/dbraw/zinc/32/55/95/165325595.db2.gz ONMCSWMZPODWEC-ZJUUUORDSA-N 1 0 329.378 0.961 20 5 ECBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000262537473 165361093 /nfs/dbraw/zinc/36/10/93/165361093.db2.gz QOCHTZXXGXHTRF-ZJUUUORDSA-N 1 0 329.353 0.964 20 5 ECBDRO CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C[NH+]1CCCC1 ZINC000419377789 209073388 /nfs/dbraw/zinc/07/33/88/209073388.db2.gz QPDPOOVRAXMUKE-CQSZACIVSA-N 1 0 325.413 0.958 20 5 ECBDRO CC(C)c1n[nH]c(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000331220939 296909520 /nfs/dbraw/zinc/90/95/20/296909520.db2.gz UTLCTULIWOXGFL-LLVKDONJSA-N 1 0 338.412 0.807 20 5 ECBDRO [NH3+][C@@H]1CCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 ZINC000160225376 225365637 /nfs/dbraw/zinc/36/56/37/225365637.db2.gz RLXJYFHYZFNGID-SNVBAGLBSA-N 1 0 334.332 0.843 20 5 ECBDRO COc1cc(S(=O)(=O)N2CCC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000237228263 263173309 /nfs/dbraw/zinc/17/33/09/263173309.db2.gz CJNJLUQADANJCA-SNVBAGLBSA-N 1 0 329.378 0.963 20 5 ECBDRO CNC(=O)CCC[N@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000269902538 263211582 /nfs/dbraw/zinc/21/15/82/263211582.db2.gz JPNYCIXKQFPKJB-UHFFFAOYSA-N 1 0 338.364 1.000 20 5 ECBDRO COc1cc[nH+]c(N2CCN(C(=O)c3nn(C)cc3[N+](=O)[O-])CC2)c1 ZINC000270766694 263270201 /nfs/dbraw/zinc/27/02/01/263270201.db2.gz GVPMQDOUAXNGRV-UHFFFAOYSA-N 1 0 346.347 0.694 20 5 ECBDRO C[C@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C[NH2+]1 ZINC000272570938 263352717 /nfs/dbraw/zinc/35/27/17/263352717.db2.gz NAUDPCGDMOWHRY-RYUDHWBXSA-N 1 0 334.376 0.924 20 5 ECBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000284937930 264259973 /nfs/dbraw/zinc/25/99/73/264259973.db2.gz DTQMJHXKIHGGAK-JTQLQIEISA-N 1 0 339.377 0.947 20 5 ECBDRO COC(=O)c1cc(C)nc(NC[C@@](C)(O)C[NH+](C)C)c1[N+](=O)[O-] ZINC000286146906 264374233 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338.183 0.983 20 5 ECBDRO C[NH+](C)CCOc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000343534947 437600505 /nfs/dbraw/zinc/60/05/05/437600505.db2.gz FJMNCWWQNIIOHE-UHFFFAOYSA-N 1 0 334.336 0.765 20 5 ECBDRO O=C(NCC[C@H]1CC[NH2+]C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000418342832 279846083 /nfs/dbraw/zinc/84/60/83/279846083.db2.gz QMVRCWOZTRVERC-CYBMUJFWSA-N 1 0 348.407 0.821 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N(C)C2(C[NH3+])CCC2)ccc1[N+](=O)[O-] ZINC000423711175 280348025 /nfs/dbraw/zinc/34/80/25/280348025.db2.gz ZENOJTRODMWTSB-UHFFFAOYSA-N 1 0 334.376 0.973 20 5 ECBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000423630215 289764634 /nfs/dbraw/zinc/76/46/34/289764634.db2.gz YHZPCPDVDXUWBQ-ZDUSSCGKSA-N 1 0 334.376 0.893 20 5 ECBDRO C[NH+](C)[C@H]1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000331932668 296983311 /nfs/dbraw/zinc/98/33/11/296983311.db2.gz KMTSDLLOTSTEOQ-LBPRGKRZSA-N 1 0 348.359 0.483 20 5 ECBDRO CNC(=O)NC(=O)CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 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437457212 /nfs/dbraw/zinc/45/72/12/437457212.db2.gz UGHGWKNBUZFXOM-VIFPVBQESA-N 1 0 342.377 0.114 20 5 ECBDRO C[NH+](C)C1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000188250837 437537399 /nfs/dbraw/zinc/53/73/99/437537399.db2.gz WJEIHCHVSVVCAL-UHFFFAOYSA-N 1 0 335.408 0.933 20 5 ECBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(CCO)[C@H](C)C1 ZINC000188726939 437566246 /nfs/dbraw/zinc/56/62/46/437566246.db2.gz XKAMYGLAWXYSBY-LLVKDONJSA-N 1 0 343.405 0.590 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(OCCO)CC1 ZINC000343756523 437646633 /nfs/dbraw/zinc/64/66/33/437646633.db2.gz YXKNMLGKZGVCBW-ZDUSSCGKSA-N 1 0 340.376 0.808 20 5 ECBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)CCn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000355317904 437695160 /nfs/dbraw/zinc/69/51/60/437695160.db2.gz LZBKAFNOHMXJMI-ZIAGYGMSSA-N 1 0 337.380 0.503 20 5 ECBDRO COc1ccc(NC(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000415569890 437824489 /nfs/dbraw/zinc/82/44/89/437824489.db2.gz LOVMWIWPBLYACD-VHSXEESVSA-N 1 0 336.348 0.738 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000415579709 437826089 /nfs/dbraw/zinc/82/60/89/437826089.db2.gz QMVLFEGDRNABSU-ZJUUUORDSA-N 1 0 336.348 0.738 20 5 ECBDRO CCOC(=O)c1cc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc([N+](=O)[O-])c1 ZINC000423625840 437781019 /nfs/dbraw/zinc/78/10/19/437781019.db2.gz DODNLRVJBPAWNS-YPMHNXCESA-N 1 0 337.332 0.082 20 5 ECBDRO CN(c1ncc([N+](=O)[O-])c(N)n1)C1CC[NH+](C2CCOCC2)CC1 ZINC000363385576 437784333 /nfs/dbraw/zinc/78/43/33/437784333.db2.gz AXUSZLZQTDKMHL-UHFFFAOYSA-N 1 0 336.396 1.047 20 5 ECBDRO C[C@H](C[NH3+])N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000415416640 437798410 /nfs/dbraw/zinc/79/84/10/437798410.db2.gz LBJMRDCUEKBCCI-SSDOTTSWSA-N 1 0 346.290 0.940 20 5 ECBDRO COc1ccc(NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000415623238 437833109 /nfs/dbraw/zinc/83/31/09/437833109.db2.gz MCYVKKVDZPCIER-KOLCDFICSA-N 1 0 336.348 0.656 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415747361 437852871 /nfs/dbraw/zinc/85/28/71/437852871.db2.gz ONLUUTKMDGMWHD-QWRGUYRKSA-N 1 0 348.359 0.610 20 5 ECBDRO O=[N+]([O-])c1cnc2ccc(NC[C@@H]3CCC[C@H]3[NH+]3CCOCC3)nn21 ZINC000371336596 437920084 /nfs/dbraw/zinc/92/00/84/437920084.db2.gz RWVSPYUXBGGKMT-QWHCGFSZSA-N 1 0 346.391 1.550 20 5 ECBDRO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CCN1CCOC ZINC000357042158 437894576 /nfs/dbraw/zinc/89/45/76/437894576.db2.gz GIIACRLQPVALDR-NSHDSACASA-N 1 0 325.369 0.511 20 5 ECBDRO COc1cccc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000424221904 437905438 /nfs/dbraw/zinc/90/54/38/437905438.db2.gz DBAGIXJQQRPPGA-QWHCGFSZSA-N 1 0 345.359 0.904 20 5 ECBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000371502092 437943514 /nfs/dbraw/zinc/94/35/14/437943514.db2.gz ZSLQVIPIEYFMRJ-NEPJUHHUSA-N 1 0 349.343 0.917 20 5 ECBDRO COCCC[N@@H+]1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000371579667 437960768 /nfs/dbraw/zinc/96/07/68/437960768.db2.gz APYQXGPWSGHPON-UHFFFAOYSA-N 1 0 337.380 0.988 20 5 ECBDRO O=C(CC[N@@H+]1CCN2C(=O)NC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000365802237 437975277 /nfs/dbraw/zinc/97/52/77/437975277.db2.gz BCULMCUWKKCKFE-CYBMUJFWSA-N 1 0 333.348 0.633 20 5 ECBDRO CC[NH+](CC)CC[C@@H](CO)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357679424 438041499 /nfs/dbraw/zinc/04/14/99/438041499.db2.gz JDXSKLNXIVXRIQ-JTQLQIEISA-N 1 0 325.369 0.593 20 5 ECBDRO O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000372324402 438070916 /nfs/dbraw/zinc/07/09/16/438070916.db2.gz HDMHHHZEYUVZQP-ZIAGYGMSSA-N 1 0 335.360 0.972 20 5 ECBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000358052798 438134800 /nfs/dbraw/zinc/13/48/00/438134800.db2.gz UWDHQRGPRKCEEP-MRXNPFEDSA-N 1 0 345.359 0.577 20 5 ECBDRO C[N@@H+]1CC[C@](O)(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000358069998 438141682 /nfs/dbraw/zinc/14/16/82/438141682.db2.gz UAJLGTIHUSURSC-INIZCTEOSA-N 1 0 336.392 0.970 20 5 ECBDRO CC(C)[C@@H]([NH3+])CNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000418415493 438142563 /nfs/dbraw/zinc/14/25/63/438142563.db2.gz URRFTBGGSKGGMX-LBPRGKRZSA-N 1 0 336.396 0.805 20 5 ECBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000358228303 438185884 /nfs/dbraw/zinc/18/58/84/438185884.db2.gz FKJVGOAZNUIWKX-WBMJQRKESA-N 1 0 336.392 0.968 20 5 ECBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@]1(O)CCN(C)C1 ZINC000358228301 438186285 /nfs/dbraw/zinc/18/62/85/438186285.db2.gz FKJVGOAZNUIWKX-MLGOLLRUSA-N 1 0 336.392 0.968 20 5 ECBDRO C[NH2+]CCNC(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000418809107 438195391 /nfs/dbraw/zinc/19/53/91/438195391.db2.gz MLOYWWHTVNZORW-UHFFFAOYSA-N 1 0 328.756 0.243 20 5 ECBDRO C[C@@H]1CN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000418875184 438231161 /nfs/dbraw/zinc/23/11/61/438231161.db2.gz WCJHWFQDMGHIPE-NEPJUHHUSA-N 1 0 334.376 0.462 20 5 ECBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000432515340 438198446 /nfs/dbraw/zinc/19/84/46/438198446.db2.gz RNCQNDSZPSGUGH-DLOVCJGASA-N 1 0 338.412 0.941 20 5 ECBDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000418945647 438260717 /nfs/dbraw/zinc/26/07/17/438260717.db2.gz NDAXNMHAJUCOOQ-LLVKDONJSA-N 1 0 336.348 0.040 20 5 ECBDRO C[C@@H]1CN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH2+]1 ZINC000418921881 438249255 /nfs/dbraw/zinc/24/92/55/438249255.db2.gz KCRQYBWWRKHULE-TXEJJXNPSA-N 1 0 334.376 0.462 20 5 ECBDRO CCC([NH3+])(CC)CNC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000418925338 438250936 /nfs/dbraw/zinc/25/09/36/438250936.db2.gz RNYMWSDBEIQBCN-UHFFFAOYSA-N 1 0 336.392 0.887 20 5 ECBDRO COc1cc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000378013948 438337135 /nfs/dbraw/zinc/33/71/35/438337135.db2.gz LZHKXEJYHPPKGO-MNOVXSKESA-N 1 0 341.389 0.833 20 5 ECBDRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000419034168 438299301 /nfs/dbraw/zinc/29/93/01/438299301.db2.gz DAEVJALBHSABLJ-GFCCVEGCSA-N 1 0 348.403 0.839 20 5 ECBDRO C[C@@H]1CCCN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000419047155 438305328 /nfs/dbraw/zinc/30/53/28/438305328.db2.gz ZRMXOJDAGIOWLK-IUODEOHRSA-N 1 0 348.403 0.839 20 5 ECBDRO Nc1nc(NC[C@@H]2CCC[N@H+](Cc3cccnc3)C2)ncc1[N+](=O)[O-] ZINC000377601072 438314817 /nfs/dbraw/zinc/31/48/17/438314817.db2.gz LHEWZWHTCHRLRD-ZDUSSCGKSA-N 1 0 343.391 1.108 20 5 ECBDRO CO[C@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H](C[NH3+])C1 ZINC000359048185 438348916 /nfs/dbraw/zinc/34/89/16/438348916.db2.gz VIHNISAOPQOEAU-CABCVRRESA-N 1 0 348.403 0.922 20 5 ECBDRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000352408381 438420801 /nfs/dbraw/zinc/42/08/01/438420801.db2.gz VAEHPRRMIXZTCC-MNOVXSKESA-N 1 0 331.398 0.241 20 5 ECBDRO C[NH+](C)[C@@]1(CNC(=O)CCn2cc([N+](=O)[O-])cn2)CCSC1 ZINC000359714652 438483845 /nfs/dbraw/zinc/48/38/45/438483845.db2.gz DHUPKOAYNUJUEL-CYBMUJFWSA-N 1 0 327.410 0.735 20 5 ECBDRO C[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000408032672 438490946 /nfs/dbraw/zinc/49/09/46/438490946.db2.gz AJLJKGPACMEASG-KGLIPLIRSA-N 1 0 336.440 0.786 20 5 ECBDRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)Cn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000369273670 438446556 /nfs/dbraw/zinc/44/65/56/438446556.db2.gz IKSLYTQFULBQKJ-GFCCVEGCSA-N 1 0 336.396 0.076 20 5 ECBDRO CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369691751 438506289 /nfs/dbraw/zinc/50/62/89/438506289.db2.gz KHEBCZWKRWDDPL-JTQLQIEISA-N 1 0 338.368 0.662 20 5 ECBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2COCCO2)cc1[N+](=O)[O-] ZINC000353738760 438528961 /nfs/dbraw/zinc/52/89/61/438528961.db2.gz NRMMCAOFCCRCIT-LBPRGKRZSA-N 1 0 340.332 0.652 20 5 ECBDRO C[NH+](C)CCOC1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000353799474 438536905 /nfs/dbraw/zinc/53/69/05/438536905.db2.gz DEGUBHMOZGVOKZ-UHFFFAOYSA-N 1 0 325.369 0.361 20 5 ECBDRO [NH3+][C@@H]1CCN(C(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000423094436 438638491 /nfs/dbraw/zinc/63/84/91/438638491.db2.gz BUNFOMMOBCIMMK-GFCCVEGCSA-N 1 0 332.360 0.645 20 5 ECBDRO COc1ccc(OCCN2CC[N@H+](CCO)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000452120327 438642865 /nfs/dbraw/zinc/64/28/65/438642865.db2.gz RCKZRXMQQCUDLC-CYBMUJFWSA-N 1 0 339.392 0.981 20 5 ECBDRO C[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000451656789 438705428 /nfs/dbraw/zinc/70/54/28/438705428.db2.gz WTVBDRGEJQMPMO-BETUJISGSA-N 1 0 336.392 0.920 20 5 ECBDRO Nc1nccc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000547729832 438719660 /nfs/dbraw/zinc/71/96/60/438719660.db2.gz BEPNBDUTELJBPE-NSHDSACASA-N 1 0 349.391 0.803 20 5 ECBDRO Cn1cc(CNC[C@H]2C[NH2+]CCN2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414977216 438724199 /nfs/dbraw/zinc/72/41/99/438724199.db2.gz POQHKQJKEUTIKB-MRXNPFEDSA-N 1 0 344.419 0.989 20 5 ECBDRO COc1cc(CN(C)C[C@@H](O)C[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000415068015 438729175 /nfs/dbraw/zinc/72/91/75/438729175.db2.gz LXXBWCUHFZFVEW-VIFPVBQESA-N 1 0 335.307 0.956 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccc(OCCO)cc2)c1 ZINC000576040397 438766116 /nfs/dbraw/zinc/76/61/16/438766116.db2.gz DEGRWRIJHOKUNH-CQSZACIVSA-N 1 0 336.348 0.313 20 5 ECBDRO Cc1cnc(N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c([N+](=O)[O-])c1 ZINC000576615585 438789895 /nfs/dbraw/zinc/78/98/95/438789895.db2.gz PQQOHBMXVHXQOR-CYBMUJFWSA-N 1 0 333.392 0.946 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCCN(Cc2ncon2)C1 ZINC000588843606 438843840 /nfs/dbraw/zinc/84/38/40/438843840.db2.gz WMKKTOVDBAOBBR-NSHDSACASA-N 1 0 349.351 0.203 20 5 ECBDRO CCOC(=O)c1cc(C(=O)N[C@H](CO)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000588866212 438845913 /nfs/dbraw/zinc/84/59/13/438845913.db2.gz HPMDFEIUORDITB-LBPRGKRZSA-N 1 0 339.348 0.424 20 5 ECBDRO Cc1nn(CCC(=O)N[C@H](CO)C[NH+]2CCCC2)c(C)c1[N+](=O)[O-] ZINC000588869385 438847318 /nfs/dbraw/zinc/84/73/18/438847318.db2.gz OCQSQFPOTSZRKE-ZDUSSCGKSA-N 1 0 339.396 0.371 20 5 ECBDRO CNc1ccc(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000577508593 438848019 /nfs/dbraw/zinc/84/80/19/438848019.db2.gz KEIBZPBEAVNJBS-MNOVXSKESA-N 1 0 333.348 0.021 20 5 ECBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000595735563 438850694 /nfs/dbraw/zinc/85/06/94/438850694.db2.gz AZKSEXXZACVKHY-YPMHNXCESA-N 1 0 332.360 0.794 20 5 ECBDRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000595926620 438887406 /nfs/dbraw/zinc/88/74/06/438887406.db2.gz IXHBAUVCMHTGCN-STQMWFEESA-N 1 0 335.364 0.002 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC(C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000601424030 438888810 /nfs/dbraw/zinc/88/88/10/438888810.db2.gz VAEKTXWZTKFUTM-UHFFFAOYSA-N 1 0 329.378 0.786 20 5 ECBDRO C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000595984102 438909300 /nfs/dbraw/zinc/90/93/00/438909300.db2.gz UYFNWTAOPKSYOP-NXEZZACHSA-N 1 0 340.405 0.985 20 5 ECBDRO CN(CCC[NH3+])C(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000578339921 438918138 /nfs/dbraw/zinc/91/81/38/438918138.db2.gz WOSAPNUURPAOHW-UHFFFAOYSA-N 1 0 336.392 0.841 20 5 ECBDRO COc1c(F)cc(S(=O)(=O)N[C@@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000596048941 438919037 /nfs/dbraw/zinc/91/90/37/438919037.db2.gz GJRNXVNJROVFSG-LBPRGKRZSA-N 1 0 333.341 0.773 20 5 ECBDRO C[C@@H](C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)[NH+](C)C ZINC000590530552 438929389 /nfs/dbraw/zinc/92/93/89/438929389.db2.gz RPBRVKFGEAIZSE-LBPRGKRZSA-N 1 0 334.376 0.829 20 5 ECBDRO CN(CC(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1)c1ccccc1[N+](=O)[O-] ZINC000590551474 438930823 /nfs/dbraw/zinc/93/08/23/438930823.db2.gz YIHTVXOYNDWSAZ-KGLIPLIRSA-N 1 0 348.403 0.699 20 5 ECBDRO COC(=O)C1CC[NH+](CCCNc2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000590581348 438934033 /nfs/dbraw/zinc/93/40/33/438934033.db2.gz LNMYBBRMHIKZSC-UHFFFAOYSA-N 1 0 337.380 1.259 20 5 ECBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c1C ZINC000590585583 438936023 /nfs/dbraw/zinc/93/60/23/438936023.db2.gz FJNSFHDUWWGEDD-STQMWFEESA-N 1 0 343.405 0.507 20 5 ECBDRO C[NH+](C)[C@H]1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000590585549 438936399 /nfs/dbraw/zinc/93/63/99/438936399.db2.gz DOIVTFDGLOFSJH-KBPBESRZSA-N 1 0 343.405 0.074 20 5 ECBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596202177 438941105 /nfs/dbraw/zinc/94/11/05/438941105.db2.gz QRHJITLNTOCPTO-NSHDSACASA-N 1 0 336.392 0.975 20 5 ECBDRO C[C@@H]1COCCN1CCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000517542828 438968823 /nfs/dbraw/zinc/96/88/23/438968823.db2.gz QGTLYJWVWXTQMX-CQSZACIVSA-N 1 0 335.408 0.833 20 5 ECBDRO CN(C)C[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000517833749 438980027 /nfs/dbraw/zinc/98/00/27/438980027.db2.gz KHRZOROLJYOBHU-DOTOQJQBSA-N 1 0 347.419 0.915 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000591299742 438998402 /nfs/dbraw/zinc/99/84/02/438998402.db2.gz TZLWSAVNHMUSFX-MFKMUULPSA-N 1 0 336.348 0.416 20 5 ECBDRO CC(C)c1noc(CCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000518757674 439008450 /nfs/dbraw/zinc/00/84/50/439008450.db2.gz GNNWKXPMCPAQOB-GFCCVEGCSA-N 1 0 338.368 0.881 20 5 ECBDRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000591374715 439009109 /nfs/dbraw/zinc/00/91/09/439009109.db2.gz WWNHHUGMSJESQC-GFCCVEGCSA-N 1 0 334.376 0.717 20 5 ECBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CS(=O)(=O)CCO1 ZINC000566474719 439061099 /nfs/dbraw/zinc/06/10/99/439061099.db2.gz HQDAHWKJTKORMQ-GWCFXTLKSA-N 1 0 326.374 0.985 20 5 ECBDRO CCC[N@H+](C)CC(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000567116234 439117166 /nfs/dbraw/zinc/11/71/66/439117166.db2.gz VVMSZNWYKAUZHQ-UHFFFAOYSA-N 1 0 346.391 1.408 20 5 ECBDRO [NH3+][C@H]1C[C@H]2CN(C(=O)CCNc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000566496963 439064909 /nfs/dbraw/zinc/06/49/09/439064909.db2.gz VUNKUJKDXGXWLB-RYUDHWBXSA-N 1 0 347.375 0.167 20 5 ECBDRO O=C(CC1CCCC1)NCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000580182759 439068600 /nfs/dbraw/zinc/06/86/00/439068600.db2.gz DBGISDZZWYPLLU-CQSZACIVSA-N 1 0 339.396 0.438 20 5 ECBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000602788621 439134253 /nfs/dbraw/zinc/13/42/53/439134253.db2.gz UTJLLBFISYUGII-UHFFFAOYSA-N 1 0 338.412 0.196 20 5 ECBDRO COC(=O)[C@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000602840659 439143232 /nfs/dbraw/zinc/14/32/32/439143232.db2.gz OYZBMQWVRRLETB-GFCCVEGCSA-N 1 0 325.369 0.136 20 5 ECBDRO C[NH+](C)C[C@H](CO)NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000597652386 439149489 /nfs/dbraw/zinc/14/94/89/439149489.db2.gz AOSPYJYZBDEPRL-LLVKDONJSA-N 1 0 333.348 0.637 20 5 ECBDRO CNc1nccc(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000597694550 439161073 /nfs/dbraw/zinc/16/10/73/439161073.db2.gz LDZFQYNIKIOZBX-STQMWFEESA-N 1 0 349.391 0.967 20 5 ECBDRO CCc1n[nH]c(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000597694803 439161696 /nfs/dbraw/zinc/16/16/96/439161696.db2.gz NXOBYQGAMUGCFA-NWDGAFQWSA-N 1 0 337.380 0.816 20 5 ECBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@@H+]2C)n1 ZINC000597694202 439161763 /nfs/dbraw/zinc/16/17/63/439161763.db2.gz JUFFXHZZUGLBNF-WCQYABFASA-N 1 0 337.380 0.746 20 5 ECBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@@H+]2C)n1 ZINC000597694201 439161796 /nfs/dbraw/zinc/16/17/96/439161796.db2.gz JUFFXHZZUGLBNF-DGCLKSJQSA-N 1 0 337.380 0.746 20 5 ECBDRO C[NH+](C)CC1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000597707380 439164084 /nfs/dbraw/zinc/16/40/84/439164084.db2.gz FKMGIDATHPCPCB-UHFFFAOYSA-N 1 0 330.348 0.809 20 5 ECBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000592338066 439209220 /nfs/dbraw/zinc/20/92/20/439209220.db2.gz MVCINZUQMLDFLJ-DCAQKATOSA-N 1 0 342.375 0.643 20 5 ECBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000592374028 439214973 /nfs/dbraw/zinc/21/49/73/439214973.db2.gz HBTBBXWBILISTC-YPMHNXCESA-N 1 0 343.405 0.948 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000592381476 439216430 /nfs/dbraw/zinc/21/64/30/439216430.db2.gz PHZDNXOUOMQWJD-QWRGUYRKSA-N 1 0 341.389 0.976 20 5 ECBDRO COCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCO[C@@H]1C ZINC000489447164 439227839 /nfs/dbraw/zinc/22/78/39/439227839.db2.gz KBSGIBGMUKZFTG-KWCYVHTRSA-N 1 0 328.369 0.278 20 5 ECBDRO CNS(=O)(=O)CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000598594414 439282925 /nfs/dbraw/zinc/28/29/25/439282925.db2.gz GVLOIPCYYACLFI-UHFFFAOYSA-N 1 0 343.405 0.987 20 5 ECBDRO COCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCO[C@H]1C ZINC000489446073 439229114 /nfs/dbraw/zinc/22/91/14/439229114.db2.gz GBMCYFQONVHCAS-GXTWGEPZSA-N 1 0 325.365 0.882 20 5 ECBDRO Cc1cc(C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000598188613 439237519 /nfs/dbraw/zinc/23/75/19/439237519.db2.gz VPMOALQVSLEDPT-UHFFFAOYSA-N 1 0 336.392 0.995 20 5 ECBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000581777554 439252484 /nfs/dbraw/zinc/25/24/84/439252484.db2.gz UAMAFIHHQPUSNU-TZMCWYRMSA-N 1 0 348.407 0.819 20 5 ECBDRO CN1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000582061407 439287364 /nfs/dbraw/zinc/28/73/64/439287364.db2.gz QCEWLKPKSWVRKW-ZDUSSCGKSA-N 1 0 344.375 0.495 20 5 ECBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000592870443 439294571 /nfs/dbraw/zinc/29/45/71/439294571.db2.gz DZTHZMUWZDEWMC-JTQLQIEISA-N 1 0 338.339 0.926 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)nc1 ZINC000593532467 439396051 /nfs/dbraw/zinc/39/60/51/439396051.db2.gz WLVWEHKPRQWWRV-SNVBAGLBSA-N 1 0 326.378 0.752 20 5 ECBDRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593546466 439400808 /nfs/dbraw/zinc/40/08/08/439400808.db2.gz LQQGARSYFKYJQO-LLVKDONJSA-N 1 0 328.394 0.952 20 5 ECBDRO C[NH+](C)[C@]1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCSC1 ZINC000593555645 439403495 /nfs/dbraw/zinc/40/34/95/439403495.db2.gz GLWSBFLACLBTDC-LBPRGKRZSA-N 1 0 346.434 0.705 20 5 ECBDRO CC(C)(CC[NH3+])NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000583079533 439417193 /nfs/dbraw/zinc/41/71/93/439417193.db2.gz YPOJNBFOSWNDGJ-UHFFFAOYSA-N 1 0 329.378 0.856 20 5 ECBDRO CNC(=O)c1cccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000583376533 439456036 /nfs/dbraw/zinc/45/60/36/439456036.db2.gz RQCCLXWIHSNPEE-CQSZACIVSA-N 1 0 333.348 0.302 20 5 ECBDRO C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C(=O)NCC[NH+](C)C ZINC000583403065 439460863 /nfs/dbraw/zinc/46/08/63/439460863.db2.gz JIIFRIGLLHKYDT-QMMMGPOBSA-N 1 0 341.343 0.112 20 5 ECBDRO CCO[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@H]1C[NH3+] ZINC000593916616 439493876 /nfs/dbraw/zinc/49/38/76/439493876.db2.gz LYYHVFYHYIOYAV-PRHODGIISA-N 1 0 326.328 0.752 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1Cn1cnc2c(c1=O)CC[NH2+]CC2 ZINC000571400424 439499280 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NAGKOPWQBLQKJC-UHFFFAOYSA-N 1 0 336.348 0.466 20 5 ECBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594603932 439581046 /nfs/dbraw/zinc/58/10/46/439581046.db2.gz ORSYCSODVRLPBL-NWDGAFQWSA-N 1 0 335.360 0.945 20 5 ECBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000594625059 439583975 /nfs/dbraw/zinc/58/39/75/439583975.db2.gz DEQLEDQCAORNSO-NOZJJQNGSA-N 1 0 341.389 0.950 20 5 ECBDRO CC[NH2+]Cc1ccn(Cc2cn(-c3ccc([N+](=O)[O-])cn3)nn2)n1 ZINC000594650097 439588014 /nfs/dbraw/zinc/58/80/14/439588014.db2.gz RDKBGORNZYTHCQ-UHFFFAOYSA-N 1 0 328.336 0.925 20 5 ECBDRO [NH3+][C@H]1C[C@H]2CN(c3ncnc4sc([N+](=O)[O-])cc43)CCN2C1=O ZINC000594702758 439593098 /nfs/dbraw/zinc/59/30/98/439593098.db2.gz XGHNABXNDCTHIP-CBAPKCEASA-N 1 0 334.361 0.348 20 5 ECBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610265104 439607835 /nfs/dbraw/zinc/60/78/35/439607835.db2.gz PFTAFYDIZHYHQJ-QWRGUYRKSA-N 1 0 328.394 0.951 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCCN(c3ncccn3)C2)c1 ZINC000573189110 439632395 /nfs/dbraw/zinc/63/23/95/439632395.db2.gz IVRXYUOMVZRLQK-GXTWGEPZSA-N 1 0 347.379 0.201 20 5 ECBDRO CCn1cc(S(=O)(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)c([N+](=O)[O-])n1 ZINC000611106739 439672458 /nfs/dbraw/zinc/67/24/58/439672458.db2.gz FLFHGKHQPIXMOY-UWVGGRQHSA-N 1 0 343.409 0.715 20 5 ECBDRO COC[C@]1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCC[NH2+]1 ZINC000595111810 439654970 /nfs/dbraw/zinc/65/49/70/439654970.db2.gz PSQSKJIWZHIIGG-GFCCVEGCSA-N 1 0 330.366 0.037 20 5 ECBDRO [NH3+][C@@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC[C@H]1F ZINC000595123259 439657447 /nfs/dbraw/zinc/65/74/47/439657447.db2.gz URLLUUFCOCZHPD-CHWSQXEVSA-N 1 0 331.369 0.838 20 5 ECBDRO CN(C)[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000573084092 439627170 /nfs/dbraw/zinc/62/71/70/439627170.db2.gz LJCURBLMIRJENI-DOTOQJQBSA-N 1 0 347.419 0.915 20 5 ECBDRO O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000595257676 439683772 /nfs/dbraw/zinc/68/37/72/439683772.db2.gz NWPMQRKOLMOYIA-GFCCVEGCSA-N 1 0 332.320 0.486 20 5 ECBDRO Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000600744447 439697793 /nfs/dbraw/zinc/69/77/93/439697793.db2.gz FVOFWXILWDGTDN-VIFPVBQESA-N 1 0 348.285 0.694 20 5 ECBDRO CN(C)S(=O)(=O)CCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331143115 320890987 /nfs/dbraw/zinc/89/09/87/320890987.db2.gz MSCLOUDLVXWTGO-UHFFFAOYSA-N 1 0 345.425 0.710 20 5 ECBDRO CC(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)C(=O)NCC[NH+](C)C ZINC000340102654 321016571 /nfs/dbraw/zinc/01/65/71/321016571.db2.gz PYTLBUPMDBLXRL-ZDUSSCGKSA-N 1 0 339.396 0.745 20 5 ECBDRO CC[N@H+](CCO)CCNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000345959622 321210795 /nfs/dbraw/zinc/21/07/95/321210795.db2.gz DVPWQTVSUKIJEW-UHFFFAOYSA-N 1 0 331.394 0.496 20 5 ECBDRO CCn1cc(S(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])n1 ZINC000353430623 321391479 /nfs/dbraw/zinc/39/14/79/321391479.db2.gz 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Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563976865 322357123 /nfs/dbraw/zinc/35/71/23/322357123.db2.gz PMVGHDAZPXHGEG-RYUDHWBXSA-N 1 0 333.348 0.679 20 5 ECBDRO C[C@@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000567605257 322589132 /nfs/dbraw/zinc/58/91/32/322589132.db2.gz KUHNCCNRNQSONB-CMPLNLGQSA-N 1 0 332.378 0.357 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000568508789 322630849 /nfs/dbraw/zinc/63/08/49/322630849.db2.gz QHIZRIZWRCQCAQ-YPMHNXCESA-N 1 0 334.376 0.829 20 5 ECBDRO Cc1cccc(C[C@@H](CO)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000572762805 322750765 /nfs/dbraw/zinc/75/07/65/322750765.db2.gz FWHFZFJMOJLZLP-HOCLYGCPSA-N 1 0 334.376 0.654 20 5 ECBDRO COc1ccc(CC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000572875664 322752561 /nfs/dbraw/zinc/75/25/61/322752561.db2.gz UPIARJRQNSQCLS-CQSZACIVSA-N 1 0 348.403 0.652 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H](CO)Cc1ccncc1 ZINC000573564995 322763988 /nfs/dbraw/zinc/76/39/88/322763988.db2.gz PMWLRHTVVPGYTF-GJZGRUSLSA-N 1 0 347.371 0.923 20 5 ECBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000574523198 322780796 /nfs/dbraw/zinc/78/07/96/322780796.db2.gz LXGMCPVEBMFZJK-CYBMUJFWSA-N 1 0 342.421 0.421 20 5 ECBDRO CNS(=O)(=O)CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000574805572 322785430 /nfs/dbraw/zinc/78/54/30/322785430.db2.gz AXYVTEKMMHBMHW-UHFFFAOYSA-N 1 0 330.366 0.062 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@]1(CCO)CCOC1 ZINC000580075033 322915090 /nfs/dbraw/zinc/91/50/90/322915090.db2.gz SCQANSYJEVOQEY-XJKSGUPXSA-N 1 0 340.376 0.713 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000619871642 546376300 /nfs/dbraw/zinc/37/63/00/546376300.db2.gz RCRSYUZDYBUMMO-ZDUSSCGKSA-N 1 0 337.380 0.505 20 5 ECBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000619873718 546376724 /nfs/dbraw/zinc/37/67/24/546376724.db2.gz RVCVIBLJNUCWFB-CQSZACIVSA-N 1 0 334.376 0.480 20 5 ECBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000757810103 579464624 /nfs/dbraw/zinc/46/46/24/579464624.db2.gz GUIMTYSPABOZFN-ZDUSSCGKSA-N 1 0 349.391 0.899 20 5 ECBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000735999468 578402126 /nfs/dbraw/zinc/40/21/26/578402126.db2.gz ATFAHKWQYFCEOL-SNVBAGLBSA-N 1 0 347.383 0.218 20 5 ECBDRO C[NH+](C)CCOCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000777782053 579302605 /nfs/dbraw/zinc/30/26/05/579302605.db2.gz OWUJCAOUQWCLEC-UHFFFAOYSA-N 1 0 326.309 0.811 20 5 ECBDRO C[NH+]1CCC(CNC(=S)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000760496133 579511536 /nfs/dbraw/zinc/51/15/36/579511536.db2.gz LZTVAQKQWAUFPH-UHFFFAOYSA-N 1 0 326.426 0.597 20 5 ECBDRO Cn1cc(C[C@@H](CO)C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000843111548 589051145 /nfs/dbraw/zinc/05/11/45/589051145.db2.gz GEAJIZPRTYKGFV-CZUORRHYSA-N 1 0 334.376 0.803 20 5 ECBDRO CN(CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H]1CC[NH2+]C1 ZINC000843351655 589063198 /nfs/dbraw/zinc/06/31/98/589063198.db2.gz WBDYSTKJVFCMJB-INIZCTEOSA-N 1 0 347.419 0.537 20 5 ECBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[N@@H+]2CC[C@H]1C2 ZINC000597709491 586756819 /nfs/dbraw/zinc/75/68/19/586756819.db2.gz ZKNUWCGNEUZORC-RYUDHWBXSA-N 1 0 336.396 0.744 20 5 ECBDRO C[N@H+](CCN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)Cc1ccccc1 ZINC000839654079 586886168 /nfs/dbraw/zinc/88/61/68/586886168.db2.gz DTFQMWFIVRNFLA-IAGOWNOFSA-N 1 0 346.431 0.928 20 5 ECBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000844034229 589089972 /nfs/dbraw/zinc/08/99/72/589089972.db2.gz LCDARAGKDSTYFA-JTQLQIEISA-N 1 0 335.364 0.369 20 5 ECBDRO C[N@@H+]1C[C@H]2CCN(C(=O)COc3ccc(C=O)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000816952330 587330194 /nfs/dbraw/zinc/33/01/94/587330194.db2.gz IDCWGUTZZFDTMQ-TZMCWYRMSA-N 1 0 333.344 0.949 20 5 ECBDRO O=C(CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])N1CC[NH2+]CC1 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HHCGIBOFAKUFKW-UHFFFAOYSA-N 1 0 334.336 0.325 20 5 ECBDRO COCC[N@H+](C)CCCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824999617 587909966 /nfs/dbraw/zinc/90/99/66/587909966.db2.gz OSYZOEFHXBTIRF-CQSZACIVSA-N 1 0 325.365 0.713 20 5 ECBDRO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000826901577 588088670 /nfs/dbraw/zinc/08/86/70/588088670.db2.gz BTTHBXJVLOPSAG-CJNGLKHVSA-N 1 0 349.387 0.809 20 5 ECBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@]1(O)CCc2ccccc21 ZINC000829338713 588322442 /nfs/dbraw/zinc/32/24/42/588322442.db2.gz YRXQUMVJFHOIRO-NVXWUHKLSA-N 1 0 346.387 0.918 20 5 ECBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000830022614 588354960 /nfs/dbraw/zinc/35/49/60/588354960.db2.gz LRRNCACSVWNCGZ-NEPJUHHUSA-N 1 0 339.421 0.796 20 5 ECBDRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000855697500 589642261 /nfs/dbraw/zinc/64/22/61/589642261.db2.gz BMLCHLULLSJEQA-UHFFFAOYSA-N 1 0 340.355 0.826 20 5 ECBDRO O=C1COC[C@@]2(C[NH2+]C/C=C\c3ccccc3[N+](=O)[O-])COCCN12 ZINC000865800613 590158819 /nfs/dbraw/zinc/15/88/19/590158819.db2.gz KZGYCFHSKZDVBS-MAVJXHJTSA-N 1 0 347.371 0.825 20 5 ECBDRO O=C1COC[C@@]2(C[NH2+]Cc3csc([N+](=O)[O-])c3)COCCN12 ZINC000865800313 590158904 /nfs/dbraw/zinc/15/89/04/590158904.db2.gz IDIWVSNKNFJRTQ-CYBMUJFWSA-N 1 0 327.362 0.374 20 5 ECBDRO CO[C@]1(C(F)(F)F)CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000880303896 590382507 /nfs/dbraw/zinc/38/25/07/590382507.db2.gz SHQLJMPCWIUWIK-WDEREUQCSA-N 1 0 338.286 0.805 20 5 ECBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000877110959 590439322 /nfs/dbraw/zinc/43/93/22/590439322.db2.gz BWWUKFBOUNSBLZ-SMDDNHRTSA-N 1 0 334.376 0.912 20 5 ECBDRO C[N@H+](CCO)CCNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000884825190 590930377 /nfs/dbraw/zinc/93/03/77/590930377.db2.gz KNHPWMZHVVNFAX-UHFFFAOYSA-N 1 0 338.408 0.763 20 5 ECBDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)Nc3ccncc3[N+](=O)[O-])CC2)C1 ZINC000930618141 611447829 /nfs/dbraw/zinc/44/78/29/611447829.db2.gz CGBJIFNFGHXSQF-CYBMUJFWSA-N 1 0 348.407 0.655 20 5 ECBDRO C[C@H]1COC[C@@H]1[NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000932494367 611634445 /nfs/dbraw/zinc/63/44/45/611634445.db2.gz POSLCIKUJZIFSZ-BBRMVZONSA-N 1 0 348.403 0.868 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928092709 608674878 /nfs/dbraw/zinc/67/48/78/608674878.db2.gz IVFBDKVQKKCTEE-VXGBXAGGSA-N 1 0 325.394 0.487 20 5 ECBDRO C[NH+]1C[C@]2(C)CN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C[C@@]2(C)C1 ZINC000913288972 609661962 /nfs/dbraw/zinc/66/19/62/609661962.db2.gz RGCSBGXBJLMGKH-HZPDHXFCSA-N 1 0 334.376 0.557 20 5 ECBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000834569705 611292974 /nfs/dbraw/zinc/29/29/74/611292974.db2.gz UFCASDQSQKNHPV-GOEBONIOSA-N 1 0 337.376 0.543 20 5 ECBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000834569704 611293022 /nfs/dbraw/zinc/29/30/22/611293022.db2.gz 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COc1cncc(C(=O)NCCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)n1 ZINC001167705537 738710044 /nfs/dbraw/zinc/71/00/44/738710044.db2.gz RJRBZWJYDHIBFY-UHFFFAOYSA-N 1 0 349.351 0.037 20 5 ECBDRO CCc1nc[nH]c1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001023036178 736423722 /nfs/dbraw/zinc/42/37/22/736423722.db2.gz ZFOSUXCNAZRWCM-AOOOYVTPSA-N 1 0 347.379 0.664 20 5 ECBDRO CCOC(=O)c1cnc(-n2c(C)ncc(C[NH3+])c2=N)c([N+](=O)[O-])c1 ZINC001167672224 736708170 /nfs/dbraw/zinc/70/81/70/736708170.db2.gz YVJSXOZSTWQQIN-UHFFFAOYSA-N 1 0 332.320 0.599 20 5 ECBDRO O=C(NCc1nc(C[NH2+]CC2CCC2)cc(=O)[nH]1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001087256602 737407263 /nfs/dbraw/zinc/40/72/63/737407263.db2.gz ATAHHDXBHWUIGO-VXGBXAGGSA-N 1 0 335.364 0.353 20 5 ECBDRO O=C(N[C@@H]1[C@H]2C[N@H+](CCOc3cccc(F)c3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775321 739943590 /nfs/dbraw/zinc/94/35/90/739943590.db2.gz PAHQFXMTAHRARL-LJIZCISZSA-N 1 0 349.362 0.916 20 5 ECBDRO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21)c1cnon1 ZINC001026115888 740387055 /nfs/dbraw/zinc/38/70/55/740387055.db2.gz KBWCTTGQDUIFMP-IMRBUKKESA-N 1 0 329.316 0.838 20 5 ECBDRO Cc1ncoc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000983428613 743123377 /nfs/dbraw/zinc/12/33/77/743123377.db2.gz OKZBXPAAMPTLDT-XYPYZODXSA-N 1 0 348.363 0.923 20 5 ECBDRO Cc1nonc1C(=O)N1CCC([NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000997423902 743597242 /nfs/dbraw/zinc/59/72/42/743597242.db2.gz XNQPCFNKQBXEHE-UHFFFAOYSA-N 1 0 349.351 0.414 20 5 ECBDRO CC(C)[NH+]1CCC(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC000998933448 744412639 /nfs/dbraw/zinc/41/26/39/744412639.db2.gz GFGBVKSLVQENNZ-ZIAGYGMSSA-N 1 0 338.408 0.099 20 5 ECBDRO CCc1oncc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001020656480 751937953 /nfs/dbraw/zinc/93/79/53/751937953.db2.gz DEUXVTJBZWALQJ-MGCOHNPYSA-N 1 0 348.363 0.929 20 5 ECBDRO 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CN(CCN(C)c1cc[nH]c(=O)c1[N+](=O)[O-])C(=O)C12CC[NH+](CC1)C2 ZINC001105434469 750087527 /nfs/dbraw/zinc/08/75/27/750087527.db2.gz WKZCPKAEYKZSHF-UHFFFAOYSA-N 1 0 349.391 0.686 20 5 ECBDRO Cn1cc(C[N@@H+]2CCCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)cn1 ZINC000981764755 751076731 /nfs/dbraw/zinc/07/67/31/751076731.db2.gz BSCRWCQGSAYLPL-ZIAGYGMSSA-N 1 0 333.392 0.510 20 5 ECBDRO O=C(Cc1nc[nH]n1)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001020904296 752315786 /nfs/dbraw/zinc/31/57/86/752315786.db2.gz RWXCMIJNGKYGGX-HAQNSBGRSA-N 1 0 330.348 0.692 20 5 ECBDRO CCCCN(CCCC)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126939264 756807223 /nfs/dbraw/zinc/80/72/23/756807223.db2.gz VKZZOAFPEUVAIW-ZIAGYGMSSA-N 1 0 342.440 0.786 20 5 ECBDRO O=C(Cn1cnnn1)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001021816615 757946334 /nfs/dbraw/zinc/94/63/34/757946334.db2.gz OOEUPMSIRFIIRL-TXEJJXNPSA-N 1 0 331.336 0.018 20 5 ECBDRO 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C[N@H+](CC(=O)N1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1)C1CCC1 ZINC001056062598 770716578 /nfs/dbraw/zinc/71/65/78/770716578.db2.gz LTGOCAMLFVLSOK-UHFFFAOYSA-N 1 0 349.391 0.828 20 5 ECBDRO CN(C)C(=O)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001040700132 783296159 /nfs/dbraw/zinc/29/61/59/783296159.db2.gz JIZCTRKOKQBDPY-CHWSQXEVSA-N 1 0 338.408 0.054 20 5 ECBDRO CN(CCCN(C)C(=O)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001067388995 793075822 /nfs/dbraw/zinc/07/58/22/793075822.db2.gz ODMHENXLELKAHC-ZIAGYGMSSA-N 1 0 340.424 0.300 20 5 ECBDRO O=C(C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)Nc1ccccc1 ZINC001266683931 836136898 /nfs/dbraw/zinc/13/68/98/836136898.db2.gz YWXPDBRWGGEDGM-XJFOESAGSA-N 1 0 332.360 0.527 20 5 ECBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)CCc1ccnn1C ZINC001266713747 836188163 /nfs/dbraw/zinc/18/81/63/836188163.db2.gz OLCOLWWIYGXZDT-UHFFFAOYSA-N 1 0 349.395 0.243 20 5 ECBDRO CN(CCNCc1nnc(C(C)(C)C)o1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 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O=C(NCCn1cc([N+](=O)[O-])cn1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262813827 245193725 /nfs/dbraw/zinc/19/37/25/245193725.db2.gz QOGPNVYIANHTGN-LLVKDONJSA-N 1 0 333.352 0.342 20 5 ECBDRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000264108814 246072036 /nfs/dbraw/zinc/07/20/36/246072036.db2.gz UZYIRTAFUBTPLK-UHFFFAOYSA-N 1 0 338.364 0.814 20 5 ECBDRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000266626310 248388985 /nfs/dbraw/zinc/38/89/85/248388985.db2.gz JEBDGUMWYJRYHV-LBPRGKRZSA-N 1 0 336.348 0.370 20 5 ECBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000449243318 211277787 /nfs/dbraw/zinc/27/77/87/211277787.db2.gz JXJJTMJRANLXMM-CYBMUJFWSA-N 1 0 344.375 0.911 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000441836234 210911593 /nfs/dbraw/zinc/91/15/93/210911593.db2.gz DPKDSOHJMIUYTK-UHFFFAOYSA-N 1 0 338.364 0.536 20 5 ECBDRO CO[C@H]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000440857016 210862698 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CWAHMRVWFUIJKR-RDBSUJKOSA-N 1 0 340.380 0.672 20 5 ECBDRO C[C@@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000429160661 210302400 /nfs/dbraw/zinc/30/24/00/210302400.db2.gz OOHNNRMRZOQNIL-BXUZGUMPSA-N 1 0 349.391 0.590 20 5 ECBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000429269350 210309800 /nfs/dbraw/zinc/30/98/00/210309800.db2.gz GCUXUYXNURIJEU-TZMCWYRMSA-N 1 0 349.391 0.638 20 5 ECBDRO C[C@@]1(CNC(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000419034220 208955276 /nfs/dbraw/zinc/95/52/76/208955276.db2.gz DJKSXRXOARJLCL-QGZVFWFLSA-N 1 0 348.403 0.759 20 5 ECBDRO COC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000496055843 255066385 /nfs/dbraw/zinc/06/63/85/255066385.db2.gz YNWCCQWEEGTWBO-QMMMGPOBSA-N 1 0 344.349 0.495 20 5 ECBDRO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000419163322 209007825 /nfs/dbraw/zinc/00/78/25/209007825.db2.gz JGLWTDMYTNUJTK-VIFPVBQESA-N 1 0 342.783 0.836 20 5 ECBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419163657 209008351 /nfs/dbraw/zinc/00/83/51/209008351.db2.gz KCXLUFIOVKGALK-JTQLQIEISA-N 1 0 340.767 0.733 20 5 ECBDRO C[C@H]1CN(C(=O)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000419168790 209011210 /nfs/dbraw/zinc/01/12/10/209011210.db2.gz SXKRPDUSFPHICP-VIFPVBQESA-N 1 0 340.767 0.685 20 5 ECBDRO Cc1ccc([C@H](C)NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000419274515 209047483 /nfs/dbraw/zinc/04/74/83/209047483.db2.gz RRNJADAPFUKCCC-GWCFXTLKSA-N 1 0 334.376 0.934 20 5 ECBDRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000419352412 209067310 /nfs/dbraw/zinc/06/73/10/209067310.db2.gz PQTUFJLNXUCMEM-LBPRGKRZSA-N 1 0 336.392 0.839 20 5 ECBDRO C[NH+]1CCN(CCNC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000077581293 296621447 /nfs/dbraw/zinc/62/14/47/296621447.db2.gz WYQVIIXFGWGYIC-UHFFFAOYSA-N 1 0 336.392 0.727 20 5 ECBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000170949937 296719566 /nfs/dbraw/zinc/71/95/66/296719566.db2.gz FBDHNANTQOJFEL-UHFFFAOYSA-N 1 0 332.364 0.777 20 5 ECBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000237939381 296725695 /nfs/dbraw/zinc/72/56/95/296725695.db2.gz OFHLNBVINFLICV-LLVKDONJSA-N 1 0 330.348 0.905 20 5 ECBDRO C[NH+](C)[C@@H]1CCCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC000272904837 296773188 /nfs/dbraw/zinc/77/31/88/296773188.db2.gz MVBVTGWFMRSMKK-LLVKDONJSA-N 1 0 328.394 0.773 20 5 ECBDRO COc1cc(S(=O)(=O)N2CC[C@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000154363537 164763699 /nfs/dbraw/zinc/76/36/99/164763699.db2.gz HIJUCKPDUNGREL-AWEZNQCLSA-N 1 0 341.389 0.978 20 5 ECBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000246008419 165120920 /nfs/dbraw/zinc/12/09/20/165120920.db2.gz SRFOBRFXVKUCTM-JSGCOSHPSA-N 1 0 336.396 0.917 20 5 ECBDRO COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1[N+](=O)[O-] ZINC000261732437 165232760 /nfs/dbraw/zinc/23/27/60/165232760.db2.gz RXGKKGYSFJXPMH-CYBMUJFWSA-N 1 0 336.392 0.890 20 5 ECBDRO COCC1(CNC(=O)Cn2cc([N+](=O)[O-])nc2C)CC[NH2+]CC1 ZINC000261781307 165242375 /nfs/dbraw/zinc/24/23/75/165242375.db2.gz SNDYSWOKKLNPOL-UHFFFAOYSA-N 1 0 325.369 0.232 20 5 ECBDRO COc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000262141089 165297806 /nfs/dbraw/zinc/29/78/06/165297806.db2.gz MIZKZSJNOIBBFA-VHSXEESVSA-N 1 0 329.378 0.961 20 5 ECBDRO CC(C)C[NH+]1CCC(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000299486588 296866270 /nfs/dbraw/zinc/86/62/70/296866270.db2.gz HCIQIVHHUQRDRM-UHFFFAOYSA-N 1 0 336.392 0.993 20 5 ECBDRO C[C@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000269653964 263195017 /nfs/dbraw/zinc/19/50/17/263195017.db2.gz UXTOUSNFQNRQCV-CYBMUJFWSA-N 1 0 336.392 0.993 20 5 ECBDRO COc1cc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000269748210 263201382 /nfs/dbraw/zinc/20/13/82/263201382.db2.gz BLZZADRHORKHTD-CYBMUJFWSA-N 1 0 347.393 0.194 20 5 ECBDRO COc1cc(C(=O)NC[C@](C)(O)C[NH+](C)C)cc([N+](=O)[O-])c1OC ZINC000269862237 263209231 /nfs/dbraw/zinc/20/92/31/263209231.db2.gz CWJMOIAJMSXBBE-HNNXBMFYSA-N 1 0 341.364 0.654 20 5 ECBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000271025094 263293609 /nfs/dbraw/zinc/29/36/09/263293609.db2.gz OMSPJRDCYXDKHN-GFCCVEGCSA-N 1 0 336.392 0.945 20 5 ECBDRO Cc1n[nH]c(C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])c1[N+](=O)[O-] ZINC000278273477 263825327 /nfs/dbraw/zinc/82/53/27/263825327.db2.gz OLJIFTMGQZUSEW-SNVBAGLBSA-N 1 0 338.368 0.086 20 5 ECBDRO Cn1cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c(=O)n(C)c1=O ZINC000283103888 264084088 /nfs/dbraw/zinc/08/40/88/264084088.db2.gz TWGZBBWDPXOFRZ-UHFFFAOYSA-N 1 0 332.360 0.667 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1COC[C@H]1O ZINC000285442194 264313701 /nfs/dbraw/zinc/31/37/01/264313701.db2.gz FUPHLUJVJAOJKY-CHWSQXEVSA-N 1 0 339.348 0.624 20 5 ECBDRO CC[NH+](CC)CCN(CCOC)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000264133995 276326121 /nfs/dbraw/zinc/32/61/21/276326121.db2.gz FGTRWVROZOJUTH-UHFFFAOYSA-N 1 0 327.385 0.608 20 5 ECBDRO C[NH+](C)CC(=O)N1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153566147 276776439 /nfs/dbraw/zinc/77/64/39/276776439.db2.gz BOUVDCGJQJUWPR-UHFFFAOYSA-N 1 0 327.772 0.853 20 5 ECBDRO C[NH2+]CCCN(C)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000424036697 277021842 /nfs/dbraw/zinc/02/18/42/277021842.db2.gz VLDSAGRBLJJMIU-UHFFFAOYSA-N 1 0 336.348 0.388 20 5 ECBDRO C[N@@H+]1CC[C@H]2CCN(c3cc([N+](=O)[O-])ccc3S(N)(=O)=O)C[C@H]21 ZINC000371702652 277178065 /nfs/dbraw/zinc/17/80/65/277178065.db2.gz ZCBQZXSVQDCCMG-GXFFZTMASA-N 1 0 340.405 0.773 20 5 ECBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])C[C@H]21 ZINC000375048374 277178383 /nfs/dbraw/zinc/17/83/83/277178383.db2.gz HXXFGTPKUYDGRI-IINYFYTJSA-N 1 0 340.405 0.773 20 5 ECBDRO C[NH2+]C[C@@H]1CCCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000262589920 277276750 /nfs/dbraw/zinc/27/67/50/277276750.db2.gz RYTWPYSYWYNPDW-LBPRGKRZSA-N 1 0 348.359 0.531 20 5 ECBDRO CNS(=O)(=O)c1ccc(N2C[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000262575886 277291283 /nfs/dbraw/zinc/29/12/83/277291283.db2.gz YEDWQABPPJTXTN-AOOOYVTPSA-N 1 0 326.378 0.159 20 5 ECBDRO C[C@@H]1CN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1[NH3+] ZINC000447252292 288239364 /nfs/dbraw/zinc/23/93/64/288239364.db2.gz QXLMZRUQKXPGAJ-RKDXNWHRSA-N 1 0 343.361 0.334 20 5 ECBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@@H]2CCNC2=O)c([N+](=O)[O-])c1 ZINC000340223174 437610953 /nfs/dbraw/zinc/61/09/53/437610953.db2.gz VNTPCGYCGDQNSM-GFCCVEGCSA-N 1 0 336.348 0.752 20 5 ECBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000332620554 297059594 /nfs/dbraw/zinc/05/95/94/297059594.db2.gz CAIQANZNJLFIOU-ZDUSSCGKSA-N 1 0 334.376 0.843 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H](CO)C2CCOCC2)c1 ZINC000359900075 299909101 /nfs/dbraw/zinc/90/91/01/299909101.db2.gz XLJRTNYLZZOPKM-HOCLYGCPSA-N 1 0 340.376 0.712 20 5 ECBDRO C[C@@H](CNC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)[NH+](C)C 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0.790 20 5 ECBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000272368826 436712782 /nfs/dbraw/zinc/71/27/82/436712782.db2.gz TYLYRHGKYQGALT-NSHDSACASA-N 1 0 337.332 0.774 20 5 ECBDRO C[N@H+](CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C1CC1 ZINC000067701381 436721011 /nfs/dbraw/zinc/72/10/11/436721011.db2.gz JWXWNWQUVAWQOL-UHFFFAOYSA-N 1 0 330.348 1.000 20 5 ECBDRO COCCO[C@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000245816860 436767464 /nfs/dbraw/zinc/76/74/64/436767464.db2.gz DEUWSVRUYWQKJY-KGLIPLIRSA-N 1 0 328.369 0.280 20 5 ECBDRO Cc1cccc(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c1[N+](=O)[O-] ZINC000237603032 436739925 /nfs/dbraw/zinc/73/99/25/436739925.db2.gz WUSYKVATTQCWAK-LBPRGKRZSA-N 1 0 334.376 0.830 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C1CC[NH2+]CC1 ZINC000237620652 436740464 /nfs/dbraw/zinc/74/04/64/436740464.db2.gz VJRAVOHUKNOUJX-NSHDSACASA-N 1 0 334.376 0.924 20 5 ECBDRO C[C@@](C[NH3+])(NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)C1CC1 ZINC000237638029 436740474 /nfs/dbraw/zinc/74/04/74/436740474.db2.gz SXTWQJJTJOAJLY-AWEZNQCLSA-N 1 0 341.389 0.856 20 5 ECBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCN1CC[NH2+]CC1 ZINC000237668042 436742053 /nfs/dbraw/zinc/74/20/53/436742053.db2.gz UZWJNVOFQRPQGR-UHFFFAOYSA-N 1 0 342.421 0.477 20 5 ECBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000153323799 436754315 /nfs/dbraw/zinc/75/43/15/436754315.db2.gz FZTDLJHXTAIXHF-GRYCIOLGSA-N 1 0 334.376 0.922 20 5 ECBDRO NS(=O)(=O)c1cccc(N2CC[C@H]([NH+]3CC=CC3)C2)c1[N+](=O)[O-] ZINC000273494749 436759353 /nfs/dbraw/zinc/75/93/53/436759353.db2.gz QCPMYNDOURMXHT-NSHDSACASA-N 1 0 338.389 0.693 20 5 ECBDRO Cc1nn(C)c(C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000156936126 436821593 /nfs/dbraw/zinc/82/15/93/436821593.db2.gz DAKGTDBGTDZCIM-LBPRGKRZSA-N 1 0 339.396 0.459 20 5 ECBDRO C[NH+](C)CC(=O)N1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 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HFYFUOLZZKJILD-NSHDSACASA-N 1 0 336.396 0.527 20 5 ECBDRO COCC[N@@H+]1CCCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000331555259 437117444 /nfs/dbraw/zinc/11/74/44/437117444.db2.gz ZGGRHZQCXANQGB-UHFFFAOYSA-N 1 0 339.396 0.707 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)NCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000176005395 437128623 /nfs/dbraw/zinc/12/86/23/437128623.db2.gz SKNFUJQUAVWGBE-UHFFFAOYSA-N 1 0 334.376 0.845 20 5 ECBDRO O=C(C[NH+]1CCCC1)N1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176229751 437135195 /nfs/dbraw/zinc/13/51/95/437135195.db2.gz GDFDQKRWDLXREK-UHFFFAOYSA-N 1 0 336.396 0.031 20 5 ECBDRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000316638717 437188263 /nfs/dbraw/zinc/18/82/63/437188263.db2.gz OHLLWJOQTLCYND-KCJUWKMLSA-N 1 0 349.796 0.985 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000317418847 437192134 /nfs/dbraw/zinc/19/21/34/437192134.db2.gz NQBXJCWVGXXSED-PWSUYJOCSA-N 1 0 329.378 0.640 20 5 ECBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000178197910 437208503 /nfs/dbraw/zinc/20/85/03/437208503.db2.gz MCMALUCYSIWNIW-UHFFFAOYSA-N 1 0 335.408 0.887 20 5 ECBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)c1C ZINC000322368352 437216377 /nfs/dbraw/zinc/21/63/77/437216377.db2.gz DCMGKOISJCDGLI-DGCLKSJQSA-N 1 0 343.405 0.948 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000266482159 437224804 /nfs/dbraw/zinc/22/48/04/437224804.db2.gz TZLCXRRGMCWTPH-MRXNPFEDSA-N 1 0 331.376 0.974 20 5 ECBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@@H]1CCCOC1 ZINC000180942647 437305784 /nfs/dbraw/zinc/30/57/84/437305784.db2.gz WMIWQLGACNDLLV-LLVKDONJSA-N 1 0 329.378 0.642 20 5 ECBDRO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000278102247 437281871 /nfs/dbraw/zinc/28/18/71/437281871.db2.gz JOCFQVDGGPLVTH-NSHDSACASA-N 1 0 336.348 0.490 20 5 ECBDRO C[NH+](C)[C@@]1(CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CCSC1 ZINC000267086972 437286604 /nfs/dbraw/zinc/28/66/04/437286604.db2.gz HRHYUCACWYJFGZ-CYBMUJFWSA-N 1 0 326.378 0.863 20 5 ECBDRO CCc1n[nH]c(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000267937150 437345245 /nfs/dbraw/zinc/34/52/45/437345245.db2.gz GTDFRWLAUDJFHV-NSHDSACASA-N 1 0 337.380 0.675 20 5 ECBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000184510684 437402691 /nfs/dbraw/zinc/40/26/91/437402691.db2.gz ASINHVFYLDLUOZ-LLVKDONJSA-N 1 0 337.380 0.451 20 5 ECBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000184971131 437419777 /nfs/dbraw/zinc/41/97/77/437419777.db2.gz JVKQURBVRUPDCT-LTZCYQRMSA-N 1 0 346.387 0.909 20 5 ECBDRO C[C@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000186814149 437485025 /nfs/dbraw/zinc/48/50/25/437485025.db2.gz RZSVZUVOBQTFIJ-NSHDSACASA-N 1 0 336.392 0.975 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000339325935 437458636 /nfs/dbraw/zinc/45/86/36/437458636.db2.gz 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CCOC(=O)CC(C)(C)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000343883239 437680842 /nfs/dbraw/zinc/68/08/42/437680842.db2.gz AACIZCVXXFINGU-LBPRGKRZSA-N 1 0 328.369 0.816 20 5 ECBDRO CNC(=O)CC[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000343904671 437691163 /nfs/dbraw/zinc/69/11/63/437691163.db2.gz HXEHHBCFWLJBCE-UHFFFAOYSA-N 1 0 336.348 0.961 20 5 ECBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000344055520 437724643 /nfs/dbraw/zinc/72/46/43/437724643.db2.gz LIMXTMHGYJOKRD-VXGBXAGGSA-N 1 0 338.412 0.895 20 5 ECBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000344055501 437725120 /nfs/dbraw/zinc/72/51/20/437725120.db2.gz LIMXTMHGYJOKRD-NEPJUHHUSA-N 1 0 338.412 0.895 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N[C@H]2CC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000423745813 437822571 /nfs/dbraw/zinc/82/25/71/437822571.db2.gz OMFCZTBQLCQJRD-AAEUAGOBSA-N 1 0 334.376 0.877 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 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/nfs/dbraw/zinc/22/95/97/438229597.db2.gz GSYUAIKECQYQIK-AWEZNQCLSA-N 1 0 336.440 0.929 20 5 ECBDRO O=c1[nH]c(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)nc2ccc([N+](=O)[O-])cc21 ZINC000367714638 438240288 /nfs/dbraw/zinc/24/02/88/438240288.db2.gz DBOYNLZKGZREHX-RYUDHWBXSA-N 1 0 345.359 1.519 20 5 ECBDRO COc1ccc(CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000418948325 438262427 /nfs/dbraw/zinc/26/24/27/438262427.db2.gz QIHKZAFMSIGNLM-LLVKDONJSA-N 1 0 338.364 0.319 20 5 ECBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418925079 438251328 /nfs/dbraw/zinc/25/13/28/438251328.db2.gz QQKZMXCZRVNWKC-AWEZNQCLSA-N 1 0 348.403 0.759 20 5 ECBDRO C[C@H]1CN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[NH2+]1 ZINC000418927387 438252767 /nfs/dbraw/zinc/25/27/67/438252767.db2.gz WTVGYJKNBWLIAR-RYUDHWBXSA-N 1 0 334.376 0.462 20 5 ECBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000419045620 438302205 /nfs/dbraw/zinc/30/22/05/438302205.db2.gz WRSSPPNSMTVXNA-TZMCWYRMSA-N 1 0 348.403 0.839 20 5 ECBDRO CC1(C)CN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000419044634 438303323 /nfs/dbraw/zinc/30/33/23/438303323.db2.gz ULAGONVARGGABI-UHFFFAOYSA-N 1 0 334.376 0.464 20 5 ECBDRO O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419044649 438303575 /nfs/dbraw/zinc/30/35/75/438303575.db2.gz ULRNUIFTSDNJJM-ZIAGYGMSSA-N 1 0 346.387 0.321 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000390125189 438429914 /nfs/dbraw/zinc/42/99/14/438429914.db2.gz OVCJVSCYQQMPDE-NSHDSACASA-N 1 0 345.377 0.260 20 5 ECBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000420468482 438410879 /nfs/dbraw/zinc/41/08/79/438410879.db2.gz GCIFAVKCZOAGMZ-CYBMUJFWSA-N 1 0 343.405 0.896 20 5 ECBDRO CCn1cc(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c([N+](=O)[O-])n1 ZINC000407989878 438478921 /nfs/dbraw/zinc/47/89/21/438478921.db2.gz IUJSAUQWOOIGRN-WDEREUQCSA-N 1 0 343.409 0.668 20 5 ECBDRO CC(C)[C@@H](O)C[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420978944 438456936 /nfs/dbraw/zinc/45/69/36/438456936.db2.gz XXYPWSUSRXQNKX-AWEZNQCLSA-N 1 0 345.421 0.822 20 5 ECBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)C[NH+]1CCN(C)CC1 ZINC000359799733 438498886 /nfs/dbraw/zinc/49/88/86/438498886.db2.gz SVUDHMPVLVRDOW-NSHDSACASA-N 1 0 336.396 0.185 20 5 ECBDRO COC(=O)COc1ccc(C[NH2+]CC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000353764297 438532664 /nfs/dbraw/zinc/53/26/64/438532664.db2.gz YFCDGJVEYFDCIA-UHFFFAOYSA-N 1 0 325.321 0.324 20 5 ECBDRO CCNC(=O)[C@H](C)[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000353760484 438532986 /nfs/dbraw/zinc/53/29/86/438532986.db2.gz AMWKBKRZZUKWSH-JTQLQIEISA-N 1 0 339.348 0.761 20 5 ECBDRO O=C(Nc1cnccn1)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000369997003 438539946 /nfs/dbraw/zinc/53/99/46/438539946.db2.gz NQTNZHIHUWRNEI-UHFFFAOYSA-N 1 0 345.363 0.932 20 5 ECBDRO [NH3+]CCCn1cc(C(=O)NCCNc2ccccc2[N+](=O)[O-])nn1 ZINC000422937606 438618221 /nfs/dbraw/zinc/61/82/21/438618221.db2.gz OJRTWSBIYXYBTF-UHFFFAOYSA-N 1 0 333.352 0.377 20 5 ECBDRO CC1(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C[NH2+]C1 ZINC000423042336 438632566 /nfs/dbraw/zinc/63/25/66/438632566.db2.gz KPQDTKSIHCLTFL-UHFFFAOYSA-N 1 0 338.389 0.550 20 5 ECBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000423094225 438637484 /nfs/dbraw/zinc/63/74/84/438637484.db2.gz BEPILNDTFVMFCH-JSGCOSHPSA-N 1 0 346.387 0.764 20 5 ECBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000423095737 438638088 /nfs/dbraw/zinc/63/80/88/438638088.db2.gz FVQXRFUTQHVCEM-FPMFFAJLSA-N 1 0 346.387 0.749 20 5 ECBDRO C[C@@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)[C@H](C)[NH3+] ZINC000493768666 438648684 /nfs/dbraw/zinc/64/86/84/438648684.db2.gz PLLKHRQQEIDSOF-ZJUUUORDSA-N 1 0 340.405 0.924 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2cnc(C3CC3)nc2)c1 ZINC000574912253 438727486 /nfs/dbraw/zinc/72/74/86/438727486.db2.gz VXAZENNRWXAAHK-AWEZNQCLSA-N 1 0 332.364 0.652 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000575239415 438742972 /nfs/dbraw/zinc/74/29/72/438742972.db2.gz YBESIQCPPBYPBQ-OUCADQQQSA-N 1 0 326.349 0.010 20 5 ECBDRO CC[C@H]([NH3+])CNC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C ZINC000576704891 438795399 /nfs/dbraw/zinc/79/53/99/438795399.db2.gz OKVYESGDPYIOKQ-QMMMGPOBSA-N 1 0 330.366 0.018 20 5 ECBDRO O=C1NCC[C@]12CCC[N@H+]2C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000575811686 438756342 /nfs/dbraw/zinc/75/63/42/438756342.db2.gz CMBCCZCYGGRPAV-CZUORRHYSA-N 1 0 335.360 0.689 20 5 ECBDRO C[C@@H](C(=O)N[C@@H](CO)CN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000575918116 438759723 /nfs/dbraw/zinc/75/97/23/438759723.db2.gz FCLCVWAOTXAFPC-TZMCWYRMSA-N 1 0 337.376 0.508 20 5 ECBDRO C[NH+](C)C[C@H]1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 ZINC000555194121 438773447 /nfs/dbraw/zinc/77/34/47/438773447.db2.gz TXSITCUACRHJIF-SNVBAGLBSA-N 1 0 328.394 0.630 20 5 ECBDRO C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C(=O)NCC[NH+](C)C ZINC000576665339 438791990 /nfs/dbraw/zinc/79/19/90/438791990.db2.gz ZNEUXSYGSOXDNQ-LLVKDONJSA-N 1 0 337.380 0.189 20 5 ECBDRO O=C(NC[C@@H]1CCCN(Cc2ncon2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000588843002 438843362 /nfs/dbraw/zinc/84/33/62/438843362.db2.gz JGFXPHHUZQXFDG-JTQLQIEISA-N 1 0 334.336 0.948 20 5 ECBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](CO)C[NH+](C)C)cc1OC ZINC000588864255 438846696 /nfs/dbraw/zinc/84/66/96/438846696.db2.gz CPSHSMXRLQJMED-SNVBAGLBSA-N 1 0 341.364 0.654 20 5 ECBDRO Cc1cc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000601344048 438854061 /nfs/dbraw/zinc/85/40/61/438854061.db2.gz SGSDMDZPSUEIAZ-AOOOYVTPSA-N 1 0 329.353 0.882 20 5 ECBDRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595948461 438895499 /nfs/dbraw/zinc/89/54/99/438895499.db2.gz KVNVJPMBEPLGIX-RTXFEEFZSA-N 1 0 335.364 0.366 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H](O)Cc2cccc(F)c2)c1 ZINC000515383596 438863936 /nfs/dbraw/zinc/86/39/36/438863936.db2.gz NYZGBKOUPJAHRC-LSDHHAIUSA-N 1 0 338.339 0.485 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000564853994 438878526 /nfs/dbraw/zinc/87/85/26/438878526.db2.gz KFBGNZUXTTXPPK-BNOWGMLFSA-N 1 0 342.421 0.797 20 5 ECBDRO C[C@@H](CS(C)(=O)=O)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564854815 438879889 /nfs/dbraw/zinc/87/98/89/438879889.db2.gz BREFELBTZRXTEE-JQWIXIFHSA-N 1 0 332.378 0.357 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000589925730 438890473 /nfs/dbraw/zinc/89/04/73/438890473.db2.gz PDBIMKJJFWZXAE-JQWIXIFHSA-N 1 0 341.389 0.928 20 5 ECBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000595942423 438891875 /nfs/dbraw/zinc/89/18/75/438891875.db2.gz HMKPMQBQPGWWLG-VTWZXRTESA-N 1 0 336.396 0.777 20 5 ECBDRO CN(CCC[NH3+])C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000595987527 438909171 /nfs/dbraw/zinc/90/91/71/438909171.db2.gz MQUWRNANBSZHSH-UHFFFAOYSA-N 1 0 349.391 0.051 20 5 ECBDRO Cc1c(C(=O)N[C@]2(C)CC[NH2+]C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000595993011 438910032 /nfs/dbraw/zinc/91/00/32/438910032.db2.gz VCKWLEJVVZOVOW-CYBMUJFWSA-N 1 0 342.377 0.032 20 5 ECBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596120714 438927860 /nfs/dbraw/zinc/92/78/60/438927860.db2.gz LJZRFUQHEWTXGZ-UHFFFAOYSA-N 1 0 336.396 0.927 20 5 ECBDRO [NH3+][C@H]1C[C@@H]2CN(c3nc4c(cc3[N+](=O)[O-])CCCC4)CCN2C1=O ZINC000565232222 438929744 /nfs/dbraw/zinc/92/97/44/438929744.db2.gz ADXWJKPEBQOZPS-NEPJUHHUSA-N 1 0 331.376 0.617 20 5 ECBDRO C[NH+]1CC2(C1)CCN(C(=O)c1ccc(-n3cncn3)c([N+](=O)[O-])c1)C2 ZINC000590538154 438929911 /nfs/dbraw/zinc/92/99/11/438929911.db2.gz KUBRGHSYJJBMNO-UHFFFAOYSA-N 1 0 342.359 0.953 20 5 ECBDRO Cc1c(C(=O)N[C@@H](CO)C[NH+](C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000590548842 438931085 /nfs/dbraw/zinc/93/10/85/438931085.db2.gz GUBXNMCPGTUNIZ-LLVKDONJSA-N 1 0 348.363 0.136 20 5 ECBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000590776651 438957981 /nfs/dbraw/zinc/95/79/81/438957981.db2.gz SBKKKJNUIPBOEE-HIFRSBDPSA-N 1 0 346.387 0.877 20 5 ECBDRO C[NH+](C)CCC[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CCO1 ZINC000596568688 438977511 /nfs/dbraw/zinc/97/75/11/438977511.db2.gz TYKBOFYYILVCDT-LBPRGKRZSA-N 1 0 337.380 0.636 20 5 ECBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCC(=O)N1CC[NH2+]CC1 ZINC000579121326 438982826 /nfs/dbraw/zinc/98/28/26/438982826.db2.gz WFHFKBNGGIKURM-UHFFFAOYSA-N 1 0 349.391 0.335 20 5 ECBDRO COC(=O)COc1ccc(CNC[C@@H]2C[C@H](F)C[NH2+]2)cc1[N+](=O)[O-] ZINC000591281911 438995939 /nfs/dbraw/zinc/99/59/39/438995939.db2.gz UWLOYKAVASWOIS-RYUDHWBXSA-N 1 0 341.339 0.936 20 5 ECBDRO Cn1cc(CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000519636742 439048065 /nfs/dbraw/zinc/04/80/65/439048065.db2.gz FSSRCUBSOAFRBO-UHFFFAOYSA-N 1 0 338.389 0.934 20 5 ECBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CS(=O)(=O)CCO1 ZINC000566474720 439059472 /nfs/dbraw/zinc/05/94/72/439059472.db2.gz HQDAHWKJTKORMQ-GXFFZTMASA-N 1 0 326.374 0.985 20 5 ECBDRO NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000591439072 439014127 /nfs/dbraw/zinc/01/41/27/439014127.db2.gz SJJJFIFDOPGVQC-TVQRCGJNSA-N 1 0 326.378 0.430 20 5 ECBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000520405534 439081026 /nfs/dbraw/zinc/08/10/26/439081026.db2.gz NDDFLYTTYUUQHJ-JTQLQIEISA-N 1 0 337.332 0.474 20 5 ECBDRO COc1cccc2c1C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000567697668 439167555 /nfs/dbraw/zinc/16/75/55/439167555.db2.gz BFRBTJIJZDWKGC-OCCSQVGLSA-N 1 0 332.360 0.918 20 5 ECBDRO Cn1cc(CN2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c([N+](=O)[O-])n1 ZINC000602681111 439122289 /nfs/dbraw/zinc/12/22/89/439122289.db2.gz JURREZITWBAQGY-CYBMUJFWSA-N 1 0 336.396 0.115 20 5 ECBDRO C[NH2+][C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000567344566 439133846 /nfs/dbraw/zinc/13/38/46/439133846.db2.gz HPHBXVMSZFHFTK-LBPRGKRZSA-N 1 0 334.376 0.865 20 5 ECBDRO CC(=O)Nc1ccc(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000580888674 439144279 /nfs/dbraw/zinc/14/42/79/439144279.db2.gz PTTZPALIKMMGMN-MRXNPFEDSA-N 1 0 347.375 0.943 20 5 ECBDRO O=C1CNC(=O)N1CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000580932358 439148989 /nfs/dbraw/zinc/14/89/89/439148989.db2.gz LWTHYLJITOMGGB-GHMZBOCLSA-N 1 0 336.352 0.416 20 5 ECBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000597652865 439149551 /nfs/dbraw/zinc/14/95/51/439149551.db2.gz FNTDQSCMNZIRTE-JTQLQIEISA-N 1 0 343.405 0.332 20 5 ECBDRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000597680053 439158293 /nfs/dbraw/zinc/15/82/93/439158293.db2.gz UZMCUNUIDZKBPT-LLVKDONJSA-N 1 0 349.391 0.897 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CNC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000592430259 439227290 /nfs/dbraw/zinc/22/72/90/439227290.db2.gz RNENHQVSTGHSHT-CABCVRRESA-N 1 0 339.392 0.381 20 5 ECBDRO CN(CCC[NH+](C)C)CCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000597989922 439206658 /nfs/dbraw/zinc/20/66/58/439206658.db2.gz NNSJUVUIKJIKEQ-UHFFFAOYSA-N 1 0 325.369 0.309 20 5 ECBDRO Cc1n[nH]c(C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1[N+](=O)[O-] ZINC000592340975 439208632 /nfs/dbraw/zinc/20/86/32/439208632.db2.gz IKJYONRJPQVOSS-BXUZGUMPSA-N 1 0 337.380 0.985 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000592387244 439217396 /nfs/dbraw/zinc/21/73/96/439217396.db2.gz BLFPKXRYGDXEKB-ZJUUUORDSA-N 1 0 329.378 0.880 20 5 ECBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CCN1CC[NH2+]CC1 ZINC000592471970 439234516 /nfs/dbraw/zinc/23/45/16/439234516.db2.gz AKUAZTSYRBWGDH-CYBMUJFWSA-N 1 0 335.408 0.759 20 5 ECBDRO CN(CC1C[NH+](C)C1)C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000598164666 439234683 /nfs/dbraw/zinc/23/46/83/439234683.db2.gz UDGHAMJGFVLGDW-UHFFFAOYSA-N 1 0 349.391 0.414 20 5 ECBDRO CN(CCN1CC[NH2+]CC1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000592472098 439236563 /nfs/dbraw/zinc/23/65/63/439236563.db2.gz KZSAQTKBHAGVOJ-UHFFFAOYSA-N 1 0 346.391 0.982 20 5 ECBDRO COCCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)[NH3+])cc1OC ZINC000592546923 439248862 /nfs/dbraw/zinc/24/88/62/439248862.db2.gz LPVHZYSVZYDPCH-VIFPVBQESA-N 1 0 327.337 0.706 20 5 ECBDRO CCC[N@@H+]1CC[C@@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000598342875 439253727 /nfs/dbraw/zinc/25/37/27/439253727.db2.gz OKGGXHATWYRHMQ-CYBMUJFWSA-N 1 0 334.376 0.925 20 5 ECBDRO O=C(NCC(=O)N1CC[NH2+]CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598915444 439327061 /nfs/dbraw/zinc/32/70/61/439327061.db2.gz LZAIVOHUXSKIEY-UHFFFAOYSA-N 1 0 341.755 0.802 20 5 ECBDRO CCc1n[nH]c(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c1[N+](=O)[O-] ZINC000592872984 439293638 /nfs/dbraw/zinc/29/36/38/439293638.db2.gz NVOZKKXZVDDNQG-SECBINFHSA-N 1 0 338.368 0.072 20 5 ECBDRO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000598664288 439297797 /nfs/dbraw/zinc/29/77/97/439297797.db2.gz CXGDYUIUTWONGG-BXUZGUMPSA-N 1 0 347.375 0.927 20 5 ECBDRO C[C@H]1[NH2+]CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000598666200 439299347 /nfs/dbraw/zinc/29/93/47/439299347.db2.gz VSVWQWACHPIJNK-MNOVXSKESA-N 1 0 335.364 0.925 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)ccc1[N+](=O)[O-] ZINC000598668112 439299462 /nfs/dbraw/zinc/29/94/62/439299462.db2.gz QKQUQHKNYZCDTO-DYVFJYSZSA-N 1 0 346.387 0.973 20 5 ECBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598665865 439300058 /nfs/dbraw/zinc/30/00/58/439300058.db2.gz RJJCVDHAYDMGHD-GFCCVEGCSA-N 1 0 335.364 0.973 20 5 ECBDRO CN(C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](C[NH3+])C1CC1 ZINC000598668375 439300549 /nfs/dbraw/zinc/30/05/49/439300549.db2.gz NMDBOWKUJMUUDL-CYBMUJFWSA-N 1 0 335.364 0.912 20 5 ECBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C2 ZINC000599111688 439362318 /nfs/dbraw/zinc/36/23/18/439362318.db2.gz PKAOJRDKKIFLDK-BETUJISGSA-N 1 0 326.378 0.610 20 5 ECBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC2([NH3+])CCOCC2)c1C ZINC000599105482 439358718 /nfs/dbraw/zinc/35/87/18/439358718.db2.gz ZYSJPCHJMMGSNC-UHFFFAOYSA-N 1 0 343.405 0.998 20 5 ECBDRO CC1([NH+]2CCOCC2)CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000599160252 439370478 /nfs/dbraw/zinc/37/04/78/439370478.db2.gz KUCVJPOLKVIEOC-UHFFFAOYSA-N 1 0 349.391 0.780 20 5 ECBDRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000582835696 439383469 /nfs/dbraw/zinc/38/34/69/439383469.db2.gz PKXRILWVJUGNKC-GFCCVEGCSA-N 1 0 346.387 0.595 20 5 ECBDRO C[NH+]1CCC(O)(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593498167 439388069 /nfs/dbraw/zinc/38/80/69/439388069.db2.gz WEMCBBDLKLLGBR-UHFFFAOYSA-N 1 0 325.340 0.849 20 5 ECBDRO CS[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C[C@H]1[NH+](C)C ZINC000593571892 439409757 /nfs/dbraw/zinc/40/97/57/439409757.db2.gz WNPUXADFYDEUKR-MNOVXSKESA-N 1 0 346.434 0.656 20 5 ECBDRO CC(C)Oc1nc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000570409007 439418621 /nfs/dbraw/zinc/41/86/21/439418621.db2.gz DYPWVBXTWTXUQR-GHMZBOCLSA-N 1 0 335.364 0.525 20 5 ECBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599314249 439428135 /nfs/dbraw/zinc/42/81/35/439428135.db2.gz FZXFHUNALQOSSV-MNOVXSKESA-N 1 0 343.409 0.576 20 5 ECBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000583227776 439437659 /nfs/dbraw/zinc/43/76/59/439437659.db2.gz ZNNKILRZIPLLHV-SMDDNHRTSA-N 1 0 326.349 0.657 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC[S@@](=O)C2)cc1 ZINC000583020073 439409610 /nfs/dbraw/zinc/40/96/10/439409610.db2.gz VYQTYHCHQMYBBA-CFMSYZGJSA-N 1 0 332.403 0.479 20 5 ECBDRO CCO[C@@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000593769525 439464035 /nfs/dbraw/zinc/46/40/35/439464035.db2.gz AUGWXLIQAAZSPK-ZWNOBZJWSA-N 1 0 336.348 0.356 20 5 ECBDRO COC(=O)c1ccc(C[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)nc1 ZINC000599442778 439470527 /nfs/dbraw/zinc/47/05/27/439470527.db2.gz AWCOTSUMRRZQII-CQSZACIVSA-N 1 0 349.347 0.466 20 5 ECBDRO C[C@H](NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000583576064 439484165 /nfs/dbraw/zinc/48/41/65/439484165.db2.gz BQXUVNFLVQBPFR-BPNCWPANSA-N 1 0 347.375 0.609 20 5 ECBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594217467 439528245 /nfs/dbraw/zinc/52/82/45/439528245.db2.gz XQNAZADRAFJYHA-LSDHHAIUSA-N 1 0 334.376 0.598 20 5 ECBDRO O=C(NC[C@H]1COCC[NH2+]1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000599932471 439576583 /nfs/dbraw/zinc/57/65/83/439576583.db2.gz VENURHRGXVWRAB-ZDUSSCGKSA-N 1 0 349.391 0.415 20 5 ECBDRO C[C@@H](CNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[NH+](C)C ZINC000572457395 439584587 /nfs/dbraw/zinc/58/45/87/439584587.db2.gz WCKXNLNNEUPTGY-LBPRGKRZSA-N 1 0 336.396 0.772 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)cccc1[N+](=O)[O-] ZINC000599951177 439584527 /nfs/dbraw/zinc/58/45/27/439584527.db2.gz SUNKSPJVIKFBIL-CQSZACIVSA-N 1 0 346.387 0.920 20 5 ECBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000599964772 439587900 /nfs/dbraw/zinc/58/79/00/439587900.db2.gz CRTFYPBTEXZZOT-XHDPSFHLSA-N 1 0 346.387 0.952 20 5 ECBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594761360 439604198 /nfs/dbraw/zinc/60/41/98/439604198.db2.gz XIINUXWWRYCGQO-QWRGUYRKSA-N 1 0 328.394 0.951 20 5 ECBDRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610263980 439607168 /nfs/dbraw/zinc/60/71/68/439607168.db2.gz ADZKOSYTUFABPW-LLVKDONJSA-N 1 0 328.394 0.952 20 5 ECBDRO COc1ccc(NC(=O)C(=O)NCC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000595125857 439656881 /nfs/dbraw/zinc/65/68/81/439656881.db2.gz RCJUUQAULBBXJC-SNVBAGLBSA-N 1 0 338.364 0.998 20 5 ECBDRO CC(C)(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1(O)CCOCC1 ZINC000572992954 439622164 /nfs/dbraw/zinc/62/21/64/439622164.db2.gz HVOPUHRTTTXFNZ-ZDUSSCGKSA-N 1 0 342.396 0.310 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCN2CC[C@@H](O)C2)cc1 ZINC000600757916 439701486 /nfs/dbraw/zinc/70/14/86/439701486.db2.gz MZUFLHGJUGUOFJ-CYBMUJFWSA-N 1 0 343.405 0.025 20 5 ECBDRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000595264320 439684793 /nfs/dbraw/zinc/68/47/93/439684793.db2.gz UMAWQDHJXUIFHU-UHFFFAOYSA-N 1 0 346.347 0.591 20 5 ECBDRO C[NH2+]C[C@@H](C)NC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000595275529 439688374 /nfs/dbraw/zinc/68/83/74/439688374.db2.gz NLNDENSCCINYBJ-GFCCVEGCSA-N 1 0 349.391 0.670 20 5 ECBDRO Cn1ccnc1[C@H](NC[C@H]1COCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000600709832 439694097 /nfs/dbraw/zinc/69/40/97/439694097.db2.gz KFGDQNQRDJIGEE-DZGCQCFKSA-N 1 0 331.376 0.996 20 5 ECBDRO C[NH2+]CCOCCN(C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600725200 439694854 /nfs/dbraw/zinc/69/48/54/439694854.db2.gz CZEKVUXAPYIBDJ-HNNXBMFYSA-N 1 0 336.392 0.868 20 5 ECBDRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000249285488 320545697 /nfs/dbraw/zinc/54/56/97/320545697.db2.gz PGLNLUUPCLVPMB-XQQFMLRXSA-N 1 0 337.376 0.968 20 5 ECBDRO Cc1ccc(S(=O)(=O)N2CCCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000313360311 320703979 /nfs/dbraw/zinc/70/39/79/320703979.db2.gz WVNCUJKTURAXEG-NSHDSACASA-N 1 0 329.378 0.642 20 5 ECBDRO CCOC(=O)N1CCC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000324593087 320720986 /nfs/dbraw/zinc/72/09/86/320720986.db2.gz DWBJCTPXDRDVLS-ZDUSSCGKSA-N 1 0 341.368 0.363 20 5 ECBDRO C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000346144011 321215924 /nfs/dbraw/zinc/21/59/24/321215924.db2.gz UCNFVSGUXCFNSX-QWRGUYRKSA-N 1 0 338.364 0.859 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1[C@H](CO)CC[C@H]1CO ZINC000347308831 321235461 /nfs/dbraw/zinc/23/54/61/321235461.db2.gz NNDRLRKWMDGWKY-RWMBFGLXSA-N 1 0 326.349 0.152 20 5 ECBDRO CC[NH+]1CCN(CC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000348204812 321270084 /nfs/dbraw/zinc/27/00/84/321270084.db2.gz HOYGTBQUAOJNMT-UHFFFAOYSA-N 1 0 348.403 0.822 20 5 ECBDRO CCn1cc(S(=O)(=O)N[C@@H](C)C[N@H+](C)C(C)C)c([N+](=O)[O-])n1 ZINC000349785802 321314742 /nfs/dbraw/zinc/31/47/42/321314742.db2.gz VDHVPIKRRZWUGF-JTQLQIEISA-N 1 0 333.414 0.818 20 5 ECBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H]1COC[C@H]1O ZINC000352799839 321372882 /nfs/dbraw/zinc/37/28/82/321372882.db2.gz MYPRFESLRQIYEH-QWHCGFSZSA-N 1 0 337.332 0.584 20 5 ECBDRO CS(=O)(=O)c1cc(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cc([N+](=O)[O-])c1 ZINC000368177085 321715551 /nfs/dbraw/zinc/71/55/51/321715551.db2.gz FJVKCMAEIFUWDY-UWVGGRQHSA-N 1 0 345.352 0.428 20 5 ECBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000415350429 321891473 /nfs/dbraw/zinc/89/14/73/321891473.db2.gz YZCNDRDDDWUIPI-SNVBAGLBSA-N 1 0 336.348 0.752 20 5 ECBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000531986310 322049785 /nfs/dbraw/zinc/04/97/85/322049785.db2.gz 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UVANUBBHBJIXKH-UHFFFAOYSA-N 1 0 345.377 0.548 20 5 ECBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 ZINC000428442885 210260817 /nfs/dbraw/zinc/26/08/17/210260817.db2.gz WBHGSZMQTNTLNO-SNVBAGLBSA-N 1 0 327.362 0.432 20 5 ECBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCCCN2CC[NH+](CC)CC2)n1 ZINC000427519839 210205907 /nfs/dbraw/zinc/20/59/07/210205907.db2.gz TUBZCKWMPJCJGT-UHFFFAOYSA-N 1 0 338.412 0.569 20 5 ECBDRO C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000133002612 530044776 /nfs/dbraw/zinc/04/47/76/530044776.db2.gz QKGMHPHNPZJFSL-DGCLKSJQSA-N 1 0 334.376 0.924 20 5 ECBDRO [NH3+][C@@H]1Cc2ccccc2N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000424074645 209875318 /nfs/dbraw/zinc/87/53/18/209875318.db2.gz KESKXIKHMFTRTH-GFCCVEGCSA-N 1 0 328.328 0.673 20 5 ECBDRO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000423624111 209784532 /nfs/dbraw/zinc/78/45/32/209784532.db2.gz BEMPHMBGQLAQTL-KWQFWETISA-N 1 0 344.165 0.667 20 5 ECBDRO 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340.376 0.808 20 5 ECBDRO NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CC[C@@H]([NH+]3CC=CC3)C2)c1 ZINC000266308879 248240074 /nfs/dbraw/zinc/24/00/74/248240074.db2.gz ZXJUFTFJCGVAPK-LLVKDONJSA-N 1 0 338.389 0.693 20 5 ECBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449738278 211295891 /nfs/dbraw/zinc/29/58/91/211295891.db2.gz AQNHJZUYTMITJH-MFKMUULPSA-N 1 0 346.343 0.141 20 5 ECBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000449700750 211293147 /nfs/dbraw/zinc/29/31/47/211293147.db2.gz QKRZRZOIDBOJSA-OAHLLOKOSA-N 1 0 344.375 0.414 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CO)[C@H]1CCCO1 ZINC000447924772 211217948 /nfs/dbraw/zinc/21/79/48/211217948.db2.gz XGPDCYJNHDMOEG-CHWSQXEVSA-N 1 0 339.348 0.671 20 5 ECBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000261904788 207789586 /nfs/dbraw/zinc/78/95/86/207789586.db2.gz XCDLNIIIECHWFQ-YPMHNXCESA-N 1 0 349.391 0.590 20 5 ECBDRO C[C@@H]1CN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC[C@H]1[NH3+] ZINC000430918295 210410299 /nfs/dbraw/zinc/41/02/99/210410299.db2.gz MNUTVBHEOCTSKC-NXEZZACHSA-N 1 0 336.348 0.931 20 5 ECBDRO CN(CC(=O)N1CC[NH2+]CC1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000430631386 210393611 /nfs/dbraw/zinc/39/36/11/210393611.db2.gz BGNVENUAGCPIAO-UHFFFAOYSA-N 1 0 333.348 0.600 20 5 ECBDRO Cc1cc(S(=O)(=O)NC[C@@H]2C[NH2+]CCN2C)ccc1[N+](=O)[O-] ZINC000420459701 209371266 /nfs/dbraw/zinc/37/12/66/209371266.db2.gz REVNZHXWAJKURE-NSHDSACASA-N 1 0 328.394 0.085 20 5 ECBDRO CC(C)[C@@H]([NH3+])CNC(=O)CN1c2cc([N+](=O)[O-])ccc2OCC1=O ZINC000429135011 210301086 /nfs/dbraw/zinc/30/10/86/210301086.db2.gz MCRYYIYMHGHEKE-NSHDSACASA-N 1 0 336.348 0.420 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000415864078 208591650 /nfs/dbraw/zinc/59/16/50/208591650.db2.gz HGQUJAUUAMPOTF-NEPJUHHUSA-N 1 0 332.360 0.910 20 5 ECBDRO [NH3+]C[C@@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000429076202 210295685 /nfs/dbraw/zinc/29/56/85/210295685.db2.gz MJLXAJGUCHPDQG-WDEREUQCSA-N 1 0 336.348 0.600 20 5 ECBDRO C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000419149187 209002127 /nfs/dbraw/zinc/00/21/27/209002127.db2.gz KRDYHAYGRGCSBS-GRYCIOLGSA-N 1 0 334.376 0.981 20 5 ECBDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000419152165 209002860 /nfs/dbraw/zinc/00/28/60/209002860.db2.gz OEQIOEZMIWATSO-NEPJUHHUSA-N 1 0 334.376 0.982 20 5 ECBDRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000419158775 209006146 /nfs/dbraw/zinc/00/61/46/209006146.db2.gz YFQKCFQYBNNXFS-IMIFBBOLSA-N 1 0 346.387 0.968 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)N[C@H](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000420434473 254775878 /nfs/dbraw/zinc/77/58/78/254775878.db2.gz FIANABQFKRQFIL-SECBINFHSA-N 1 0 345.377 0.787 20 5 ECBDRO Cc1c(C(=O)NC[C@@H]2CCC[NH2+]2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000269145522 255535679 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330.348 0.985 20 5 ECBDRO COc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000262738407 165380253 /nfs/dbraw/zinc/38/02/53/165380253.db2.gz BEQBDZRLEKELIY-KOLCDFICSA-N 1 0 329.378 0.880 20 5 ECBDRO C[C@H]1[NH2+]CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000262811532 165391711 /nfs/dbraw/zinc/39/17/11/165391711.db2.gz REYPJGMASCRIPA-MNOVXSKESA-N 1 0 348.359 0.529 20 5 ECBDRO CC(C)c1n[nH]c(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000331220940 296909642 /nfs/dbraw/zinc/90/96/42/296909642.db2.gz UTLCTULIWOXGFL-NSHDSACASA-N 1 0 338.412 0.807 20 5 ECBDRO CNC(=O)[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)C ZINC000183644719 263157770 /nfs/dbraw/zinc/15/77/70/263157770.db2.gz JMFMKBCQKSABEL-HNNXBMFYSA-N 1 0 334.376 0.844 20 5 ECBDRO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCN1CCO ZINC000188734185 263162515 /nfs/dbraw/zinc/16/25/15/263162515.db2.gz DKUNLRLFIGSLAH-SNVBAGLBSA-N 1 0 347.368 0.421 20 5 ECBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000269619098 263192197 /nfs/dbraw/zinc/19/21/97/263192197.db2.gz MKQURWITCMCNMI-CHWSQXEVSA-N 1 0 336.392 0.993 20 5 ECBDRO CCC(CC)(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)OC ZINC000269838567 263207448 /nfs/dbraw/zinc/20/74/48/263207448.db2.gz DNRILFNMJDLTQE-GFCCVEGCSA-N 1 0 328.369 0.721 20 5 ECBDRO CC[NH+]1CCN(CCCNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000272551848 263352131 /nfs/dbraw/zinc/35/21/31/263352131.db2.gz ZBOZBWBZTGPBOE-UHFFFAOYSA-N 1 0 335.408 0.934 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+](CCO)C2CCOCC2)c1 ZINC000275640046 263627943 /nfs/dbraw/zinc/62/79/43/263627943.db2.gz WGCQCSDTYWZSLK-HNNXBMFYSA-N 1 0 340.376 0.808 20 5 ECBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@@H](CN2CCOCC2)C1 ZINC000283366186 264109970 /nfs/dbraw/zinc/10/99/70/264109970.db2.gz CFTSZTUYRCRRMM-LBPRGKRZSA-N 1 0 349.391 0.637 20 5 ECBDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000286413986 264395905 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336.440 0.929 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000375954006 301222803 /nfs/dbraw/zinc/22/28/03/301222803.db2.gz MSDQOLNISSNIOE-HNNXBMFYSA-N 1 0 342.355 0.760 20 5 ECBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2C[NH2+]CCN2C)cc1C ZINC000394070386 301452926 /nfs/dbraw/zinc/45/29/26/301452926.db2.gz VDAOIWFBNRFIPZ-LBPRGKRZSA-N 1 0 342.421 0.394 20 5 ECBDRO CN1CC[NH2+]C[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000394104211 301452977 /nfs/dbraw/zinc/45/29/77/301452977.db2.gz RJPWWCREZVMLPX-JTQLQIEISA-N 1 0 348.812 0.430 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000078203920 436260876 /nfs/dbraw/zinc/26/08/76/436260876.db2.gz CQSODDPGRUBRCS-NWANDNLSSA-N 1 0 346.387 0.699 20 5 ECBDRO COC(=O)N1CC([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000497012633 301558547 /nfs/dbraw/zinc/55/85/47/301558547.db2.gz BQRBEPOIPAFJJC-LBPRGKRZSA-N 1 0 325.321 0.375 20 5 ECBDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC000514647503 301611141 /nfs/dbraw/zinc/61/11/41/301611141.db2.gz LSECJNFITNAQRP-OLZOCXBDSA-N 1 0 337.380 0.816 20 5 ECBDRO O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000515621287 301646578 /nfs/dbraw/zinc/64/65/78/301646578.db2.gz VLGWYZHVUVEHQH-STQMWFEESA-N 1 0 332.360 0.279 20 5 ECBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000084251681 436379618 /nfs/dbraw/zinc/37/96/18/436379618.db2.gz FKIRCWXQRIYDBZ-UHFFFAOYSA-N 1 0 338.393 0.838 20 5 ECBDRO O=C(NC1CC[NH+](CC2(O)CCCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000089344412 436409171 /nfs/dbraw/zinc/40/91/71/436409171.db2.gz LDCBTKQAGHENRF-ZIAGYGMSSA-N 1 0 325.409 0.927 20 5 ECBDRO CCCC[N@@H+](CC(N)=O)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000048048105 436438343 /nfs/dbraw/zinc/43/83/43/436438343.db2.gz FHEXBCZXYNEXBV-CYBMUJFWSA-N 1 0 325.365 0.922 20 5 ECBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 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MZEBPCPTJNBRNH-UHFFFAOYSA-N 1 0 340.405 0.917 20 5 ECBDRO CN1CC[NH+](CCCCNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000530909562 302035328 /nfs/dbraw/zinc/03/53/28/302035328.db2.gz CUZSERUXCAHCCH-UHFFFAOYSA-N 1 0 335.408 0.934 20 5 ECBDRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000532393043 302076486 /nfs/dbraw/zinc/07/64/86/302076486.db2.gz DSUWRBNNHCSNPF-UHFFFAOYSA-N 1 0 347.375 0.370 20 5 ECBDRO CS[C@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000534316215 302106221 /nfs/dbraw/zinc/10/62/21/302106221.db2.gz FMSIOLWLAOJTMH-UWVGGRQHSA-N 1 0 346.434 0.656 20 5 ECBDRO O=C(C[N@H+]1CC[C@@H](O)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000114486296 436641907 /nfs/dbraw/zinc/64/19/07/436641907.db2.gz WLGJEEVDTZIHJA-OAHLLOKOSA-N 1 0 334.376 0.310 20 5 ECBDRO C[NH+](C)C[C@@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCO1 ZINC000116787215 436651647 /nfs/dbraw/zinc/65/16/47/436651647.db2.gz JJLXCSFFTSNYIF-GFCCVEGCSA-N 1 0 325.369 0.315 20 5 ECBDRO COc1cc[nH+]c(N2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])CC2)c1 ZINC000548741687 302324494 /nfs/dbraw/zinc/32/44/94/302324494.db2.gz NLGSEJLCWAKIAW-UHFFFAOYSA-N 1 0 332.320 0.684 20 5 ECBDRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccc([N+](=O)[O-])cn3)CC2)C1=O ZINC000552044585 302382395 /nfs/dbraw/zinc/38/23/95/302382395.db2.gz HDZWNLWGFBNQBD-AWEZNQCLSA-N 1 0 347.375 0.415 20 5 ECBDRO CN(CC(=O)NC[C@]1(O)C[NH+]2CCC1CC2)c1ccccc1[N+](=O)[O-] ZINC000554866695 302428400 /nfs/dbraw/zinc/42/84/00/302428400.db2.gz JGHJYEYIBADLPO-KRWDZBQOSA-N 1 0 348.403 0.604 20 5 ECBDRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000557315866 302459217 /nfs/dbraw/zinc/45/92/17/302459217.db2.gz IGKZWSSKTVBOMI-LBPRGKRZSA-N 1 0 332.360 0.348 20 5 ECBDRO CS(=O)(=O)c1cc(C(=O)NC[C@@H]([NH3+])C2CC2)cc([N+](=O)[O-])c1 ZINC000237423741 436734127 /nfs/dbraw/zinc/73/41/27/436734127.db2.gz YGZZTIPWRMQQLJ-GFCCVEGCSA-N 1 0 327.362 0.465 20 5 ECBDRO C[NH+](C)C1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC000152810611 436741306 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CCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCS(=O)(=O)C1 ZINC000245430098 436762194 /nfs/dbraw/zinc/76/21/94/436762194.db2.gz AALKURWAIQRETG-AAEUAGOBSA-N 1 0 346.409 0.051 20 5 ECBDRO O=C1C[C@@H]([C@H]2CCCC[N@H+]2CCn2cc([N+](=O)[O-])ccc2=O)CN1 ZINC000125125677 436763908 /nfs/dbraw/zinc/76/39/08/436763908.db2.gz DAQIDYBYCOLVQT-TZMCWYRMSA-N 1 0 334.376 0.747 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C2(CO)CCOCC2)c1 ZINC000069248421 436766745 /nfs/dbraw/zinc/76/67/45/436766745.db2.gz QVOZBBIRQGASIQ-CYBMUJFWSA-N 1 0 326.349 0.466 20 5 ECBDRO C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CN(C)CCO1 ZINC000125985212 436779975 /nfs/dbraw/zinc/77/99/75/436779975.db2.gz UAIXEDPYHRSILT-PWSUYJOCSA-N 1 0 329.378 0.592 20 5 ECBDRO C[C@H](CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000069534309 436779977 /nfs/dbraw/zinc/77/99/77/436779977.db2.gz ZODNRNFWEDKITM-LLVKDONJSA-N 1 0 334.376 0.924 20 5 ECBDRO CNS(=O)(=O)[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000155681992 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IKZDUWJGIJMECB-UHFFFAOYSA-N 1 0 340.767 0.750 20 5 ECBDRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000171415419 436978343 /nfs/dbraw/zinc/97/83/43/436978343.db2.gz CXZIPBLBXJBDIM-SNVBAGLBSA-N 1 0 329.378 0.833 20 5 ECBDRO [NH3+]C[C@H]1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000262747248 436941658 /nfs/dbraw/zinc/94/16/58/436941658.db2.gz MFDZRGQCZZJLPV-SECBINFHSA-N 1 0 343.361 0.335 20 5 ECBDRO COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000275910617 437028999 /nfs/dbraw/zinc/02/89/99/437028999.db2.gz RBTAZLXKRLXWFJ-UHFFFAOYSA-N 1 0 338.364 0.584 20 5 ECBDRO C[NH+](C)[C@@H]1CCCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 ZINC000264653967 437058705 /nfs/dbraw/zinc/05/87/05/437058705.db2.gz JSJASRIRTYJZKP-SNVBAGLBSA-N 1 0 328.394 0.773 20 5 ECBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000299278007 437065806 /nfs/dbraw/zinc/06/58/06/437065806.db2.gz LILMWDCOFSXCSK-CQSZACIVSA-N 1 0 334.376 0.925 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174170618 437075015 /nfs/dbraw/zinc/07/50/15/437075015.db2.gz RRODTMKPXZKGBI-CYBMUJFWSA-N 1 0 337.380 0.280 20 5 ECBDRO Cc1nn(CCC(=O)NCC[NH+]2CCSCC2)c(C)c1[N+](=O)[O-] ZINC000264792071 437086168 /nfs/dbraw/zinc/08/61/68/437086168.db2.gz KVVGAJCKQULESV-UHFFFAOYSA-N 1 0 341.437 0.963 20 5 ECBDRO O=C1CNC(=O)N1CCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331460889 437100184 /nfs/dbraw/zinc/10/01/84/437100184.db2.gz ZDAXKKROMBGXND-UHFFFAOYSA-N 1 0 336.352 0.370 20 5 ECBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c1C ZINC000322368353 437216424 /nfs/dbraw/zinc/21/64/24/437216424.db2.gz DCMGKOISJCDGLI-WCQYABFASA-N 1 0 343.405 0.948 20 5 ECBDRO CN1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000316255662 437186300 /nfs/dbraw/zinc/18/63/00/437186300.db2.gz ACBAZLRRGDVZHP-JTQLQIEISA-N 1 0 348.812 0.512 20 5 ECBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000316997898 437191220 /nfs/dbraw/zinc/19/12/20/437191220.db2.gz LSHYYKRMAVBQQS-LLVKDONJSA-N 1 0 328.394 0.167 20 5 ECBDRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000317139037 437191827 /nfs/dbraw/zinc/19/18/27/437191827.db2.gz FBTFGYRCNBBUBD-KCJUWKMLSA-N 1 0 349.796 0.985 20 5 ECBDRO CS(=O)(=O)NC[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000266931697 437267364 /nfs/dbraw/zinc/26/73/64/437267364.db2.gz SUXUXTFSJCASOB-NSHDSACASA-N 1 0 331.398 0.053 20 5 ECBDRO CN1CCN(C(=O)CC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)CC1 ZINC000332449486 437224440 /nfs/dbraw/zinc/22/44/40/437224440.db2.gz DZWHLFTZXHYIAL-UHFFFAOYSA-N 1 0 333.392 0.512 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000277586747 437235735 /nfs/dbraw/zinc/23/57/35/437235735.db2.gz MRMFQJMGKBXXOU-GFCCVEGCSA-N 1 0 336.392 0.969 20 5 ECBDRO O=C1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CN1CCN1CCOCC1 ZINC000178907836 437238618 /nfs/dbraw/zinc/23/86/18/437238618.db2.gz ZHRPPLJNAAXOAU-HNNXBMFYSA-N 1 0 348.403 0.618 20 5 ECBDRO C[NH2+]C[C@@H]1CCN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000178970621 437244832 /nfs/dbraw/zinc/24/48/32/437244832.db2.gz KBPCLZYWIZKIDY-RYUDHWBXSA-N 1 0 334.376 0.781 20 5 ECBDRO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000278102240 437282468 /nfs/dbraw/zinc/28/24/68/437282468.db2.gz JOCFQVDGGPLVTH-LLVKDONJSA-N 1 0 336.348 0.490 20 5 ECBDRO COC(=O)CNC(=O)c1ccc(N(C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000267093993 437289373 /nfs/dbraw/zinc/28/93/73/437289373.db2.gz VHYOQULQQJKAJL-UHFFFAOYSA-N 1 0 338.364 0.495 20 5 ECBDRO CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000288648873 437342509 /nfs/dbraw/zinc/34/25/09/437342509.db2.gz QIEHOVPCDHPTTJ-UHFFFAOYSA-N 1 0 344.437 0.757 20 5 ECBDRO O=c1nc(C2CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)[nH][nH]1 ZINC000289546774 437420981 /nfs/dbraw/zinc/42/09/81/437420981.db2.gz XADIVNSGTHOPAB-ZDUSSCGKSA-N 1 0 333.348 0.919 20 5 ECBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000268167069 437377717 /nfs/dbraw/zinc/37/77/17/437377717.db2.gz RQEMAUJFIAEGLX-LBPRGKRZSA-N 1 0 338.339 0.804 20 5 ECBDRO C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000185837570 437453223 /nfs/dbraw/zinc/45/32/23/437453223.db2.gz KIJMCLSSOFHCQT-LBPRGKRZSA-N 1 0 342.421 0.509 20 5 ECBDRO Cc1nn(C)c(C(=O)N(C)CCC[N@@H+](C)CCN(C)C)c1[N+](=O)[O-] ZINC000290540375 437499163 /nfs/dbraw/zinc/49/91/63/437499163.db2.gz DEGHUNJVUPYERM-UHFFFAOYSA-N 1 0 340.428 0.592 20 5 ECBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000360312936 437581773 /nfs/dbraw/zinc/58/17/73/437581773.db2.gz ZZNLOIJLNVVBMF-GXTWGEPZSA-N 1 0 344.375 0.823 20 5 ECBDRO C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@@H+]1C1CCN(C)CC1 ZINC000343711074 437633214 /nfs/dbraw/zinc/63/32/14/437633214.db2.gz MCLZNTLWLROXJZ-AWEZNQCLSA-N 1 0 336.440 0.892 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@](O)(C(F)(F)F)C2)c1 ZINC000331260830 437729314 /nfs/dbraw/zinc/72/93/14/437729314.db2.gz BKXCOGITODCVJP-WDEREUQCSA-N 1 0 338.286 0.541 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N[C@H]2CC[NH2+]C2(C)C)ccc1[N+](=O)[O-] ZINC000423745216 437823402 /nfs/dbraw/zinc/82/34/02/437823402.db2.gz XDCRGLANWBEIPB-ZDUSSCGKSA-N 1 0 334.376 0.890 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000415300843 437779055 /nfs/dbraw/zinc/77/90/55/437779055.db2.gz KQQAHXUEGIFZIN-UHFFFAOYSA-N 1 0 336.348 0.739 20 5 ECBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000423630207 437784997 /nfs/dbraw/zinc/78/49/97/437784997.db2.gz YHZPCPDVDXUWBQ-CYBMUJFWSA-N 1 0 334.376 0.893 20 5 ECBDRO C[NH+](C)CCN1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000364951872 437834988 /nfs/dbraw/zinc/83/49/88/437834988.db2.gz IFWWQNYCBDMYTI-UHFFFAOYSA-N 1 0 335.408 0.887 20 5 ECBDRO Cc1c(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000415742285 437851271 /nfs/dbraw/zinc/85/12/71/437851271.db2.gz JHSYUEJZBPABAK-VXGBXAGGSA-N 1 0 332.360 0.910 20 5 ECBDRO COc1ccc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000415745382 437853996 /nfs/dbraw/zinc/85/39/96/437853996.db2.gz MJUDYCDKJNUWER-QWRGUYRKSA-N 1 0 348.359 0.610 20 5 ECBDRO COc1ccc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000415904031 437880563 /nfs/dbraw/zinc/88/05/63/437880563.db2.gz ZHKPJZGFIKFBCQ-WDEREUQCSA-N 1 0 348.359 0.610 20 5 ECBDRO C[NH+](C)C1(CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000416289461 437904150 /nfs/dbraw/zinc/90/41/50/437904150.db2.gz JOXZDOCYJRQARE-UHFFFAOYSA-N 1 0 330.348 1.000 20 5 ECBDRO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000357087311 437911213 /nfs/dbraw/zinc/91/12/13/437911213.db2.gz MTBFEOFUVWAVII-QWRGUYRKSA-N 1 0 348.359 0.803 20 5 ECBDRO Cc1cc(S(=O)(=O)NC[C@]2(O)CC[N@@H+](C)C2)c(C)cc1[N+](=O)[O-] ZINC000416460940 437937611 /nfs/dbraw/zinc/93/76/11/437937611.db2.gz XPQUYXYLNBLEMU-CQSZACIVSA-N 1 0 343.405 0.557 20 5 ECBDRO 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ECBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000574340546 322777778 /nfs/dbraw/zinc/77/77/78/322777778.db2.gz JJWXMRBNHBAGPX-NEPJUHHUSA-N 1 0 347.375 0.987 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1COC[C@H]1OC ZINC000574914980 322787423 /nfs/dbraw/zinc/78/74/23/322787423.db2.gz VJFPKDSLJCQHJM-TZMCWYRMSA-N 1 0 339.348 0.935 20 5 ECBDRO [NH3+][C@H](CNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000575780727 322796023 /nfs/dbraw/zinc/79/60/23/322796023.db2.gz OTHCPSDAYYGCBA-CYBMUJFWSA-N 1 0 334.380 0.559 20 5 ECBDRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000577602436 322840054 /nfs/dbraw/zinc/84/00/54/322840054.db2.gz AVBVUDBEFBZBHO-RAIGVLPGSA-N 1 0 346.409 0.098 20 5 ECBDRO Cc1n[nH]c(C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000341600728 518185746 /nfs/dbraw/zinc/18/57/46/518185746.db2.gz WFMLRGHIXKKMIT-LLVKDONJSA-N 1 0 325.369 0.449 20 5 ECBDRO 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/nfs/dbraw/zinc/55/42/78/208554278.db2.gz MACLODLDLYSJQG-SECBINFHSA-N 1 0 342.739 0.373 20 5 ECBDRO C[NH2+]C[C@@H]1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000429476402 210319837 /nfs/dbraw/zinc/31/98/37/210319837.db2.gz XWBAGQJBADKTKN-ZDUSSCGKSA-N 1 0 349.391 0.462 20 5 ECBDRO C[C@@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C[C@@H](C)[NH2+]1 ZINC000429404244 210315537 /nfs/dbraw/zinc/31/55/37/210315537.db2.gz LUWWCNUTSABICP-GHMZBOCLSA-N 1 0 348.359 0.529 20 5 ECBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000418928433 208912892 /nfs/dbraw/zinc/91/28/92/208912892.db2.gz ZGIIBXFIGJPFKE-UONOGXRCSA-N 1 0 346.387 0.321 20 5 ECBDRO Cc1ccc(NCCCNC(=O)C(=O)NCC2C[NH2+]C2)c([N+](=O)[O-])c1 ZINC000419456600 209099723 /nfs/dbraw/zinc/09/97/23/209099723.db2.gz TWHIBRSGEVKKRZ-UHFFFAOYSA-N 1 0 349.391 0.157 20 5 ECBDRO O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1[nH]ncc1[N+](=O)[O-] ZINC000247402205 165161449 /nfs/dbraw/zinc/16/14/49/165161449.db2.gz LVLFCSCZFIQJKJ-QWHCGFSZSA-N 1 0 345.359 0.683 20 5 ECBDRO CO[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000261641418 165219038 /nfs/dbraw/zinc/21/90/38/165219038.db2.gz ADJIQQXYZCJVFV-NEPJUHHUSA-N 1 0 329.378 0.722 20 5 ECBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000261640137 165219292 /nfs/dbraw/zinc/21/92/92/165219292.db2.gz DUWWYLDJHPNJNG-CYBMUJFWSA-N 1 0 340.405 0.263 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000261804116 165245169 /nfs/dbraw/zinc/24/51/69/165245169.db2.gz FYJLTXLBRJOAPU-WDEREUQCSA-N 1 0 341.389 0.833 20 5 ECBDRO Cc1cc(=O)c(C(=O)NCC2C[NH2+]C2)nn1-c1ccccc1[N+](=O)[O-] ZINC000261938344 165265778 /nfs/dbraw/zinc/26/57/78/165265778.db2.gz GCNOUQUPSYMPHU-UHFFFAOYSA-N 1 0 343.343 0.398 20 5 ECBDRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc([N+](=O)[O-])c[nH]1 ZINC000262034551 165278590 /nfs/dbraw/zinc/27/85/90/165278590.db2.gz PPCUWDMBHGWHDG-JTQLQIEISA-N 1 0 335.286 0.489 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000262300809 165326240 /nfs/dbraw/zinc/32/62/40/165326240.db2.gz ONMCSWMZPODWEC-UWVGGRQHSA-N 1 0 329.378 0.961 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000262737736 165379113 /nfs/dbraw/zinc/37/91/13/165379113.db2.gz AZKJKXAMKQZBCL-MWLCHTKSSA-N 1 0 329.378 0.880 20 5 ECBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC[NH2+]1 ZINC000262779430 165386450 /nfs/dbraw/zinc/38/64/50/165386450.db2.gz BYLRNCONWKFYEZ-MWLCHTKSSA-N 1 0 341.389 0.869 20 5 ECBDRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000354688502 165542300 /nfs/dbraw/zinc/54/23/00/165542300.db2.gz IWGVMBQCCCWZOM-CYBMUJFWSA-N 1 0 332.360 0.742 20 5 ECBDRO C[NH+](C)C1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000301205561 296883336 /nfs/dbraw/zinc/88/33/36/296883336.db2.gz RLKFYTSGNRZWLU-UHFFFAOYSA-N 1 0 328.394 0.773 20 5 ECBDRO CO[C@H]1CCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)[C@@H](C[NH3+])C1 ZINC000359229426 299825954 /nfs/dbraw/zinc/82/59/54/299825954.db2.gz OTWUIMUJFNOIEW-OLZOCXBDSA-N 1 0 339.396 0.763 20 5 ECBDRO Cc1nn(C)c(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000193921840 263168298 /nfs/dbraw/zinc/16/82/98/263168298.db2.gz FLFHYCLTIHVOFQ-GHMZBOCLSA-N 1 0 339.396 0.866 20 5 ECBDRO C[NH2+]CCCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000237137927 263173215 /nfs/dbraw/zinc/17/32/15/263173215.db2.gz PJWXMDISCNOJMG-UHFFFAOYSA-N 1 0 340.405 0.940 20 5 ECBDRO COCC1(O)CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000270410704 263240764 /nfs/dbraw/zinc/24/07/64/263240764.db2.gz XKCDWKSWCNBXQM-AWEZNQCLSA-N 1 0 340.376 0.808 20 5 ECBDRO Cc1c(C(=O)NC[C@H]2CC[NH2+]C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000273059628 263391223 /nfs/dbraw/zinc/39/12/23/263391223.db2.gz SLCCHPFRRZDCKH-NSHDSACASA-N 1 0 330.348 0.823 20 5 ECBDRO CNC(=O)c1ccc(N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000284556066 264226884 /nfs/dbraw/zinc/22/68/84/264226884.db2.gz MXLPESSMARFMQY-LSDHHAIUSA-N 1 0 334.376 0.864 20 5 ECBDRO CCCc1n[nH]c(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000284827226 264242580 /nfs/dbraw/zinc/24/25/80/264242580.db2.gz AVADOXCKENEMRL-NWDGAFQWSA-N 1 0 337.380 0.816 20 5 ECBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000284937940 264260411 /nfs/dbraw/zinc/26/04/11/264260411.db2.gz DTQMJHXKIHGGAK-SNVBAGLBSA-N 1 0 339.377 0.947 20 5 ECBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000285996098 264358589 /nfs/dbraw/zinc/35/85/89/264358589.db2.gz IKXZQCDCTSVTRF-CQSZACIVSA-N 1 0 347.419 0.781 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2CCC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000297290001 265136668 /nfs/dbraw/zinc/13/66/68/265136668.db2.gz CWPRQUXXARMKPP-GFCCVEGCSA-N 1 0 334.376 0.830 20 5 ECBDRO C[NH2+]CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000121100253 277268255 /nfs/dbraw/zinc/26/82/55/277268255.db2.gz WEGFCTMYFNQTPF-JTQLQIEISA-N 1 0 340.405 0.987 20 5 ECBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000419045554 279637149 /nfs/dbraw/zinc/63/71/49/279637149.db2.gz WMCSAEHEKONNPC-UONOGXRCSA-N 1 0 348.403 0.887 20 5 ECBDRO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000418868023 295264987 /nfs/dbraw/zinc/26/49/87/295264987.db2.gz MVRHWNSTNSXJQL-CQSZACIVSA-N 1 0 334.376 0.593 20 5 ECBDRO O=C1NC[C@@H]2[C@H]1CCC[N@H+]2C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000337209445 297185282 /nfs/dbraw/zinc/18/52/82/297185282.db2.gz AXSYUAQTAXHHGT-BPLDGKMQSA-N 1 0 335.360 0.545 20 5 ECBDRO O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NCC[NH+]1CCC1 ZINC000337612298 297199055 /nfs/dbraw/zinc/19/90/55/297199055.db2.gz ZHBDKONQEIGTOK-UHFFFAOYSA-N 1 0 340.767 0.800 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(OCCO)CC2)c1 ZINC000339789999 297386670 /nfs/dbraw/zinc/38/66/70/297386670.db2.gz CBRQMKGMDTTWEH-CQSZACIVSA-N 1 0 340.376 0.808 20 5 ECBDRO CNc1c(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000361211837 300073074 /nfs/dbraw/zinc/07/30/74/300073074.db2.gz KJUHBGOVPDKXDS-CYBMUJFWSA-N 1 0 349.391 0.706 20 5 ECBDRO C[C@@H]1OCC[C@@H]1[N@H+](CCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000361588425 300108498 /nfs/dbraw/zinc/10/84/98/300108498.db2.gz RSBFUKOIYUVQJX-BJJXKVORSA-N 1 0 340.376 0.806 20 5 ECBDRO O=C1CNCCN1[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000362831001 300225873 /nfs/dbraw/zinc/22/58/73/300225873.db2.gz OANPJLXIHLSRNH-AWEZNQCLSA-N 1 0 348.403 0.870 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000362995488 300239873 /nfs/dbraw/zinc/23/98/73/300239873.db2.gz XYXMEUSCBNLSGP-OLZOCXBDSA-N 1 0 337.380 0.469 20 5 ECBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363104349 300246761 /nfs/dbraw/zinc/24/67/61/300246761.db2.gz OHXYCZGZVIIHIL-ZFWWWQNUSA-N 1 0 335.360 0.953 20 5 ECBDRO NC(=O)NC(=O)OCCC[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373584784 301068818 /nfs/dbraw/zinc/06/88/18/301068818.db2.gz MDFRLQDETGSMQQ-SNVBAGLBSA-N 1 0 340.340 0.623 20 5 ECBDRO Cc1noc(C2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000075646100 436169388 /nfs/dbraw/zinc/16/93/88/436169388.db2.gz JOXDXHUDRPBUBC-ZDUSSCGKSA-N 1 0 336.352 0.723 20 5 ECBDRO Cn1nccc1C1=CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000375689977 301198888 /nfs/dbraw/zinc/19/88/88/301198888.db2.gz SAKQGLRYVFOGIS-AWEZNQCLSA-N 1 0 332.364 0.675 20 5 ECBDRO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375731541 301203272 /nfs/dbraw/zinc/20/32/72/301203272.db2.gz OCBMBVMVRGSIOC-YDHLFZDLSA-N 1 0 342.396 0.841 20 5 ECBDRO CC(C)OCC[NH+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000080624766 436325157 /nfs/dbraw/zinc/32/51/57/436325157.db2.gz HOFVPIXASWFEGM-OAHLLOKOSA-N 1 0 341.412 0.195 20 5 ECBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000090565263 436434410 /nfs/dbraw/zinc/43/44/10/436434410.db2.gz FBQMPVLPYVTXFJ-UHFFFAOYSA-N 1 0 349.391 0.636 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCN(CC(F)F)CC2)c1 ZINC000091082705 436441131 /nfs/dbraw/zinc/44/11/31/436441131.db2.gz FTLAIHCBCFMPDK-GFCCVEGCSA-N 1 0 333.339 0.425 20 5 ECBDRO COC[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000090015293 436427856 /nfs/dbraw/zinc/42/78/56/436427856.db2.gz JAIOZTHNVSJKAN-LBPRGKRZSA-N 1 0 343.405 0.888 20 5 ECBDRO CC(C)(C)[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000109332115 436625089 /nfs/dbraw/zinc/62/50/89/436625089.db2.gz OONJFWIUFMAJJA-DGCLKSJQSA-N 1 0 325.365 0.824 20 5 ECBDRO O=C(CN(CCO)CCCO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000109797648 436626213 /nfs/dbraw/zinc/62/62/13/436626213.db2.gz CNRGQBJXPGZTMJ-UHFFFAOYSA-N 1 0 331.756 0.863 20 5 ECBDRO Cc1cc(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000106921900 436605629 /nfs/dbraw/zinc/60/56/29/436605629.db2.gz KMABVTJLGPXXLF-LBPRGKRZSA-N 1 0 335.408 0.851 20 5 ECBDRO C[N@H+](CCN1CCCC1=O)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541348256 302183324 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334.376 0.829 20 5 ECBDRO Cc1c(C(=O)N2CCC[NH2+]CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000237744024 436744292 /nfs/dbraw/zinc/74/42/92/436744292.db2.gz YEOPNAYXFZYPLG-UHFFFAOYSA-N 1 0 330.348 0.919 20 5 ECBDRO COCC[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000124563458 436753256 /nfs/dbraw/zinc/75/32/56/436753256.db2.gz RQALNSYDHLLHGL-LLVKDONJSA-N 1 0 331.394 0.888 20 5 ECBDRO COCC[N@H+](CCO)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000156348283 436813949 /nfs/dbraw/zinc/81/39/49/436813949.db2.gz OJFNSJBUTHSDIK-UHFFFAOYSA-N 1 0 339.348 0.834 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)[C@H]1CN(C)CCO1 ZINC000126615369 436788583 /nfs/dbraw/zinc/78/85/83/436788583.db2.gz IBCSGBIFZKXUHP-CMPLNLGQSA-N 1 0 325.369 0.325 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248613141 436805235 /nfs/dbraw/zinc/80/52/35/436805235.db2.gz LKNJIRVSKBDQBF-ZMLRMANQSA-N 1 0 341.389 0.961 20 5 ECBDRO C[NH+](C)C[C@H]1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 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O=c1[nH]c(N2CCC([NH2+]CCO)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000357451861 437990247 /nfs/dbraw/zinc/99/02/47/437990247.db2.gz KDEGEZPQPRSADK-UHFFFAOYSA-N 1 0 333.348 0.794 20 5 ECBDRO CS[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1[NH+](C)C ZINC000342543604 438028503 /nfs/dbraw/zinc/02/85/03/438028503.db2.gz KFRCZRPKRIZKJQ-FRRDWIJNSA-N 1 0 329.426 0.130 20 5 ECBDRO COc1ccc(CNC(=O)NC[C@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000417204134 438032919 /nfs/dbraw/zinc/03/29/19/438032919.db2.gz ZUYVTOONAKMXTP-GFCCVEGCSA-N 1 0 338.364 0.781 20 5 ECBDRO [NH3+]CCN(Cc1ccccc1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000417911199 438089382 /nfs/dbraw/zinc/08/93/82/438089382.db2.gz MJOQZIIJQQRXHO-UHFFFAOYSA-N 1 0 332.364 0.962 20 5 ECBDRO Cc1[nH]nc(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c1[N+](=O)[O-] ZINC000428339965 438090008 /nfs/dbraw/zinc/09/00/08/438090008.db2.gz MUOAVYYGORMLJX-UHFFFAOYSA-N 1 0 333.352 1.342 20 5 ECBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC[C@H]1CC[NH2+]C1 ZINC000342761755 438058918 /nfs/dbraw/zinc/05/89/18/438058918.db2.gz SXZYRLMBESIVDQ-JTQLQIEISA-N 1 0 334.332 0.046 20 5 ECBDRO O=C1CNC(=O)N1CCC[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372328724 438069680 /nfs/dbraw/zinc/06/96/80/438069680.db2.gz CGGFITSHLHDSPT-LLVKDONJSA-N 1 0 336.352 0.370 20 5 ECBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358213159 438185058 /nfs/dbraw/zinc/18/50/58/438185058.db2.gz OOURDLKZYKPGIZ-ZDUSSCGKSA-N 1 0 329.378 0.248 20 5 ECBDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418764450 438185488 /nfs/dbraw/zinc/18/54/88/438185488.db2.gz ALADAGJUXWPPMO-RISCZKNCSA-N 1 0 334.376 0.982 20 5 ECBDRO C[C@H](NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000418783587 438188498 /nfs/dbraw/zinc/18/84/98/438188498.db2.gz OTNKDUQUVHXAST-ZBEGNZNMSA-N 1 0 334.376 0.969 20 5 ECBDRO C[C@H](NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000418792482 438190999 /nfs/dbraw/zinc/19/09/99/438190999.db2.gz ZUGSXYABKJVXIX-GRYCIOLGSA-N 1 0 334.376 0.968 20 5 ECBDRO C[C@@H](C[NH3+])NC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418560995 438160578 /nfs/dbraw/zinc/16/05/78/438160578.db2.gz DTIRFRVYOCFTGE-NSHDSACASA-N 1 0 335.364 0.409 20 5 ECBDRO C[C@@H]1CN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@@H](C)[NH2+]1 ZINC000418873518 438230648 /nfs/dbraw/zinc/23/06/48/438230648.db2.gz UBEIXKBGFRIDMO-VXGBXAGGSA-N 1 0 334.376 0.462 20 5 ECBDRO C[C@H](C[NH3+])NC(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000418821943 438200368 /nfs/dbraw/zinc/20/03/68/438200368.db2.gz XVAPEXZIGFHSGK-MRVPVSSYSA-N 1 0 328.756 0.370 20 5 ECBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000432522079 438200798 /nfs/dbraw/zinc/20/07/98/438200798.db2.gz BUXRUQBGSRORQP-RISCZKNCSA-N 1 0 334.376 0.829 20 5 ECBDRO [NH3+][C@@H]1CC[C@@H]2CN(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)C[C@@H]12 ZINC000351479261 438266242 /nfs/dbraw/zinc/26/62/42/438266242.db2.gz QXWZPUJKAKKNBW-GMTAPVOTSA-N 1 0 348.359 0.931 20 5 ECBDRO NC(=O)C[C@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000367988860 438272160 /nfs/dbraw/zinc/27/21/60/438272160.db2.gz MWJUGGOXKZWPDX-BXUZGUMPSA-N 1 0 332.360 0.897 20 5 ECBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000418922659 438248951 /nfs/dbraw/zinc/24/89/51/438248951.db2.gz LJANSONUGBBLDN-BXUZGUMPSA-N 1 0 334.376 0.510 20 5 ECBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418928434 438252681 /nfs/dbraw/zinc/25/26/81/438252681.db2.gz ZGIIBXFIGJPFKE-ZIAGYGMSSA-N 1 0 346.387 0.321 20 5 ECBDRO COc1cc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000378013947 438337813 /nfs/dbraw/zinc/33/78/13/438337813.db2.gz LZHKXEJYHPPKGO-GHMZBOCLSA-N 1 0 341.389 0.833 20 5 ECBDRO COC(=O)[C@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000378006358 438338340 /nfs/dbraw/zinc/33/83/40/438338340.db2.gz VCRGHOQIBUBDCQ-VXGBXAGGSA-N 1 0 326.353 0.283 20 5 ECBDRO NC(=O)c1ccc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000368532664 438343418 /nfs/dbraw/zinc/34/34/18/438343418.db2.gz KEEYIIGVDYLSIF-UKRRQHHQSA-N 1 0 334.376 0.729 20 5 ECBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000419038612 438301437 /nfs/dbraw/zinc/30/14/37/438301437.db2.gz JUTAPVYYOBTXNX-NWDGAFQWSA-N 1 0 334.376 0.462 20 5 ECBDRO C[C@H](NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000419046374 438303902 /nfs/dbraw/zinc/30/39/02/438303902.db2.gz XXMZXMPJLDTYHK-JSGCOSHPSA-N 1 0 348.403 0.758 20 5 ECBDRO Cc1n[nH]c(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000438284171 438475167 /nfs/dbraw/zinc/47/51/67/438475167.db2.gz YGWDRKDYNDPOAK-SDDRHHMPSA-N 1 0 337.380 0.950 20 5 ECBDRO CN(C)S(=O)(=O)CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000353870104 438545564 /nfs/dbraw/zinc/54/55/64/438545564.db2.gz VRGHNCFGGJAXLB-RYUDHWBXSA-N 1 0 345.425 0.756 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)ccc1[N+](=O)[O-] ZINC000422884035 438614158 /nfs/dbraw/zinc/61/41/58/438614158.db2.gz RJADQQKBEBDHRC-KGLIPLIRSA-N 1 0 346.387 0.986 20 5 ECBDRO C[C@@H]([NH3+])CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000442666428 438616395 /nfs/dbraw/zinc/61/63/95/438616395.db2.gz UUNZVDKJRAPJFG-LLVKDONJSA-N 1 0 328.394 0.248 20 5 ECBDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000423100519 438637192 /nfs/dbraw/zinc/63/71/92/438637192.db2.gz MXJNQJCJWFLHAW-CYBMUJFWSA-N 1 0 346.387 0.906 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](CCO)Cc2cccc(F)c2)c1 ZINC000494254634 438682335 /nfs/dbraw/zinc/68/23/35/438682335.db2.gz SWCFEJAIUNJJGN-HNNXBMFYSA-N 1 0 338.339 0.786 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000451638374 438701954 /nfs/dbraw/zinc/70/19/54/438701954.db2.gz ZDAADCROJMZEBN-TXEJJXNPSA-N 1 0 346.343 0.436 20 5 ECBDRO Nc1nccc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000548738504 438731948 /nfs/dbraw/zinc/73/19/48/438731948.db2.gz YXTFBMQNUKRMDQ-UHFFFAOYSA-N 1 0 349.391 0.756 20 5 ECBDRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000557310949 438798482 /nfs/dbraw/zinc/79/84/82/438798482.db2.gz XFKDDLCBIOEJAK-LBPRGKRZSA-N 1 0 346.387 0.595 20 5 ECBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)CN1c2cc([N+](=O)[O-])ccc2OCC1=O ZINC000457356730 438805553 /nfs/dbraw/zinc/80/55/53/438805553.db2.gz GZBODZSEDNWYEO-ZYHUDNBSSA-N 1 0 348.359 0.658 20 5 ECBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000554865683 438769342 /nfs/dbraw/zinc/76/93/42/438769342.db2.gz QLLMLNRPLJABSX-UHFFFAOYSA-N 1 0 337.380 0.892 20 5 ECBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000576240024 438775025 /nfs/dbraw/zinc/77/50/25/438775025.db2.gz OUJZCQYCOHUPKQ-UHFFFAOYSA-N 1 0 338.412 0.528 20 5 ECBDRO COc1ccc(C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000556899978 438792485 /nfs/dbraw/zinc/79/24/85/438792485.db2.gz COHNWQXGWSULPJ-JTQLQIEISA-N 1 0 338.364 0.400 20 5 ECBDRO COc1cc(C(=O)N[C@H](CO)C[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000588864448 438845513 /nfs/dbraw/zinc/84/55/13/438845513.db2.gz JGENKXOHXYRNNB-VIFPVBQESA-N 1 0 327.337 0.264 20 5 ECBDRO O=C1CC[C@@H]2C[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC[C@H]2N1 ZINC000595728768 438851566 /nfs/dbraw/zinc/85/15/66/438851566.db2.gz OQKLYAAOEDLVAY-MGPQQGTHSA-N 1 0 349.387 0.935 20 5 ECBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000564954780 438895286 /nfs/dbraw/zinc/89/52/86/438895286.db2.gz PUASNENTOUTRTF-MNOVXSKESA-N 1 0 348.359 0.564 20 5 ECBDRO O=C(CCNC[C@@H](O)C[NH+]1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000578131999 438899521 /nfs/dbraw/zinc/89/95/21/438899521.db2.gz IAQIJIBACDBKPG-CYBMUJFWSA-N 1 0 336.392 0.970 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000590281506 438908503 /nfs/dbraw/zinc/90/85/03/438908503.db2.gz OBLOSYUXCYARMA-MFKMUULPSA-N 1 0 348.359 0.704 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC2(O)CCOCC2)cc1 ZINC000516277418 438901528 /nfs/dbraw/zinc/90/15/28/438901528.db2.gz FAGGCZVVJNEQJR-UHFFFAOYSA-N 1 0 344.389 0.500 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC(CO)(CO)C2)c1 ZINC000595801387 438866026 /nfs/dbraw/zinc/86/60/26/438866026.db2.gz WLUMGADHKOFJHT-CYBMUJFWSA-N 1 0 326.349 0.011 20 5 ECBDRO CC(C)NC(=O)[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000595849366 438871120 /nfs/dbraw/zinc/87/11/20/438871120.db2.gz INILGGCQTNDEBF-ZDUSSCGKSA-N 1 0 336.392 0.993 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](CO)c2ccc(F)cc2F)c1 ZINC000595866447 438872121 /nfs/dbraw/zinc/87/21/21/438872121.db2.gz GYQRDPRTFFKULT-SMDDNHRTSA-N 1 0 342.302 0.754 20 5 ECBDRO [NH3+][C@@H]1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1F ZINC000595904882 438881172 /nfs/dbraw/zinc/88/11/72/438881172.db2.gz DUAXPZGRRJLBII-CHWSQXEVSA-N 1 0 331.369 0.740 20 5 ECBDRO CC(C)c1n[nH]c(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c1[N+](=O)[O-] ZINC000590355364 438911269 /nfs/dbraw/zinc/91/12/69/438911269.db2.gz SRVNWWFZHTUDCG-LLVKDONJSA-N 1 0 336.396 0.561 20 5 ECBDRO [NH3+][C@@H]1C[C@H]2CN(c3nc4c(cc3[N+](=O)[O-])CCCC4)CCN2C1=O ZINC000565232223 438930774 /nfs/dbraw/zinc/93/07/74/438930774.db2.gz ADXWJKPEBQOZPS-NWDGAFQWSA-N 1 0 331.376 0.617 20 5 ECBDRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000590554550 438933374 /nfs/dbraw/zinc/93/33/74/438933374.db2.gz DLYZPLMSWXCQBM-GFCCVEGCSA-N 1 0 337.380 0.503 20 5 ECBDRO Cc1cc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000590591660 438938006 /nfs/dbraw/zinc/93/80/06/438938006.db2.gz WFKQCUGAHFZFRV-CYBMUJFWSA-N 1 0 349.384 0.633 20 5 ECBDRO CN(C)C(=O)CN(CC[NH+](C)C)c1nc2sccn2c1[N+](=O)[O-] ZINC000596463123 438966098 /nfs/dbraw/zinc/96/60/98/438966098.db2.gz QSUAZFOBRHQANL-UHFFFAOYSA-N 1 0 340.409 0.760 20 5 ECBDRO O=C1C[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000565887411 438986661 /nfs/dbraw/zinc/98/66/61/438986661.db2.gz OMFXJQHBHAVHRE-YPMHNXCESA-N 1 0 335.360 0.687 20 5 ECBDRO COc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000591304358 439000388 /nfs/dbraw/zinc/00/03/88/439000388.db2.gz FAUWICIJXCEEES-ZYHUDNBSSA-N 1 0 348.359 0.752 20 5 ECBDRO CC(C)(C(=O)NCC(=O)N1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000566099607 439004228 /nfs/dbraw/zinc/00/42/28/439004228.db2.gz ZAYHUFQCSGHXOZ-UHFFFAOYSA-N 1 0 334.376 0.420 20 5 ECBDRO O=C1C[C@@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000566132134 439009793 /nfs/dbraw/zinc/00/97/93/439009793.db2.gz SXTKYARYPPRIRR-WFASDCNBSA-N 1 0 349.387 0.935 20 5 ECBDRO CCNC(=O)c1cccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000580064045 439058864 /nfs/dbraw/zinc/05/88/64/439058864.db2.gz IEAQHMNKOQOABX-HNNXBMFYSA-N 1 0 347.375 0.692 20 5 ECBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1CCc3nnnn3CC1)OCCO2 ZINC000591504130 439018483 /nfs/dbraw/zinc/01/84/83/439018483.db2.gz OZIMGYYKKBHBEX-NSHDSACASA-N 1 0 346.347 0.847 20 5 ECBDRO C[NH+](C)[C@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1O ZINC000579793451 439037460 /nfs/dbraw/zinc/03/74/60/439037460.db2.gz KPMJEFJXSPURTO-ILXRZTDVSA-N 1 0 334.376 0.307 20 5 ECBDRO CN(C)c1nc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cs1 ZINC000591748258 439079706 /nfs/dbraw/zinc/07/97/06/439079706.db2.gz CVBLGNNEZNTWKH-LLVKDONJSA-N 1 0 326.382 0.465 20 5 ECBDRO [NH3+][C@H]1C[C@@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)CCN2C1=O ZINC000581022681 439161074 /nfs/dbraw/zinc/16/10/74/439161074.db2.gz DRGRRVZGVGIBLK-ZJUUUORDSA-N 1 0 328.332 0.286 20 5 ECBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CCO1 ZINC000592307870 439198918 /nfs/dbraw/zinc/19/89/18/439198918.db2.gz KDSPLSZSZJLFGV-IAQYHMDHSA-N 1 0 345.359 0.969 20 5 ECBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000592310763 439199474 /nfs/dbraw/zinc/19/94/74/439199474.db2.gz YMBAQVMOBLWPNH-NHYWBVRUSA-N 1 0 345.359 0.969 20 5 ECBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CCO1 ZINC000592308457 439200718 /nfs/dbraw/zinc/20/07/18/439200718.db2.gz MXMBZWPXTGSWKX-RNCFNFMXSA-N 1 0 337.332 0.554 20 5 ECBDRO O=[N+]([O-])c1cccc(OCCn2cc(CN3CC[NH2+]CC3)nn2)c1 ZINC000603200238 439208345 /nfs/dbraw/zinc/20/83/45/439208345.db2.gz GDTIOXMIJDWPMK-UHFFFAOYSA-N 1 0 332.364 0.671 20 5 ECBDRO C[C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CO1 ZINC000592363289 439212741 /nfs/dbraw/zinc/21/27/41/439212741.db2.gz VSIJCAGNRHJEGB-WDEREUQCSA-N 1 0 329.378 0.640 20 5 ECBDRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592375722 439213857 /nfs/dbraw/zinc/21/38/57/439213857.db2.gz WMSCWHYIWIPELP-FZMZJTMJSA-N 1 0 343.405 0.515 20 5 ECBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000592374018 439214304 /nfs/dbraw/zinc/21/43/04/439214304.db2.gz GVANABFBKAKELM-AAEUAGOBSA-N 1 0 343.405 0.948 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](CO)Cc2ccc(O)cc2)c1 ZINC000592429717 439227767 /nfs/dbraw/zinc/22/77/67/439227767.db2.gz ONRHDYYNPNKZRZ-WFASDCNBSA-N 1 0 336.348 0.051 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000592387632 439217078 /nfs/dbraw/zinc/21/70/78/439217078.db2.gz ZTQFXCMXNKELOI-CYBMUJFWSA-N 1 0 329.378 0.963 20 5 ECBDRO CN(CC1C[NH+](C)C1)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000598162554 439234204 /nfs/dbraw/zinc/23/42/04/439234204.db2.gz JJUVINLYIIPUCD-UHFFFAOYSA-N 1 0 334.376 0.735 20 5 ECBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000598261127 439245284 /nfs/dbraw/zinc/24/52/84/439245284.db2.gz FBQDGXNJNZBETR-ZDUSSCGKSA-N 1 0 336.392 0.993 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000568512359 439253635 /nfs/dbraw/zinc/25/36/35/439253635.db2.gz NWSBIQPOHQAMOI-UWVGGRQHSA-N 1 0 338.364 0.462 20 5 ECBDRO O=[N+]([O-])c1c(N2CC[C@H]([NH+]3CC=CC3)C2)ncnc1N1CCOCC1 ZINC000598599425 439284395 /nfs/dbraw/zinc/28/43/95/439284395.db2.gz NUGIBONTGHDNOG-ZDUSSCGKSA-N 1 0 346.391 0.672 20 5 ECBDRO C[NH+](C)CC1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598903351 439325418 /nfs/dbraw/zinc/32/54/18/439325418.db2.gz PFZGQZWNBDSZRK-UHFFFAOYSA-N 1 0 335.364 0.736 20 5 ECBDRO C[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])C(=O)NCC[NH+](C)C ZINC000569383457 439327662 /nfs/dbraw/zinc/32/76/62/439327662.db2.gz XOQWYYDGWNGTEP-VIFPVBQESA-N 1 0 326.328 0.530 20 5 ECBDRO CNc1c(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000592871424 439295055 /nfs/dbraw/zinc/29/50/55/439295055.db2.gz HYLWHOUMNFPMII-NSHDSACASA-N 1 0 349.391 0.829 20 5 ECBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598663862 439298705 /nfs/dbraw/zinc/29/87/05/439298705.db2.gz AHQSNLLTIIFEDW-MFKMUULPSA-N 1 0 335.364 0.831 20 5 ECBDRO Cc1ccc(S(=O)(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000598716943 439308117 /nfs/dbraw/zinc/30/81/17/439308117.db2.gz XJVJNZKNJKWMNX-NWDGAFQWSA-N 1 0 343.405 0.948 20 5 ECBDRO Cc1cc(C)c(S(=O)(=O)NCCOCCC[NH3+])cc1[N+](=O)[O-] ZINC000599110093 439362198 /nfs/dbraw/zinc/36/21/98/439362198.db2.gz GHPPSWHWRTXWQX-UHFFFAOYSA-N 1 0 331.394 0.855 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCOc2ncccc2F)c1 ZINC000582660492 439362905 /nfs/dbraw/zinc/36/29/05/439362905.db2.gz DSKXRPCRRQHULU-LLVKDONJSA-N 1 0 325.300 0.355 20 5 ECBDRO O=C(COC1CC[NH2+]CC1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000569808126 439365683 /nfs/dbraw/zinc/36/56/83/439365683.db2.gz LBFAAFORFYYIGL-LBPRGKRZSA-N 1 0 349.391 0.771 20 5 ECBDRO COC(=O)[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C1CC1 ZINC000593131612 439347858 /nfs/dbraw/zinc/34/78/58/439347858.db2.gz VJDJPVLVJHZSKS-UONOGXRCSA-N 1 0 335.360 0.888 20 5 ECBDRO Cc1ccc(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc1[N+](=O)[O-] ZINC000593232035 439355710 /nfs/dbraw/zinc/35/57/10/439355710.db2.gz DNYSXOARJPXCIQ-UHFFFAOYSA-N 1 0 334.376 0.749 20 5 ECBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@]1(O)CCS(=O)(=O)C1 ZINC000569868664 439372227 /nfs/dbraw/zinc/37/22/27/439372227.db2.gz YNMQYNJLYZCXRR-OCCSQVGLSA-N 1 0 326.374 0.721 20 5 ECBDRO C[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCC[NH+](C)C ZINC000582735955 439373460 /nfs/dbraw/zinc/37/34/60/439373460.db2.gz PIJFAOKHLFEVPP-NWDGAFQWSA-N 1 0 336.392 0.881 20 5 ECBDRO COC(=O)COc1ccc(CN2CC(C)(C(N)=O)C2)cc1[N+](=O)[O-] ZINC000582965747 439402239 /nfs/dbraw/zinc/40/22/39/439402239.db2.gz WZVOJHGOLQGULD-UHFFFAOYSA-N 1 0 337.332 0.454 20 5 ECBDRO C[C@@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000599216966 439385293 /nfs/dbraw/zinc/38/52/93/439385293.db2.gz WVWRJZSVYUGISM-QWRGUYRKSA-N 1 0 345.425 0.727 20 5 ECBDRO O=C(C[C@H]1COCC[NH2+]1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000583201592 439432557 /nfs/dbraw/zinc/43/25/57/439432557.db2.gz HTMAAGHUSMSFQF-NSHDSACASA-N 1 0 331.332 1.302 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000583212940 439433695 /nfs/dbraw/zinc/43/36/95/439433695.db2.gz XSKROHPHEZKSRR-GJZGRUSLSA-N 1 0 336.392 0.839 20 5 ECBDRO CS[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H]1[NH+](C)C ZINC000593571893 439409149 /nfs/dbraw/zinc/40/91/49/439409149.db2.gz WNPUXADFYDEUKR-QWRGUYRKSA-N 1 0 346.434 0.656 20 5 ECBDRO CS[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H]1[NH+](C)C ZINC000593571894 439409187 /nfs/dbraw/zinc/40/91/87/439409187.db2.gz WNPUXADFYDEUKR-WDEREUQCSA-N 1 0 346.434 0.656 20 5 ECBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000583882942 439524024 /nfs/dbraw/zinc/52/40/24/439524024.db2.gz YURLXKRDMRHPLN-GFCCVEGCSA-N 1 0 349.391 0.780 20 5 ECBDRO CNc1nccc(C(=O)N[C@@H]2CCC[N@H+](CCOC)C2)c1[N+](=O)[O-] ZINC000594292097 439535861 /nfs/dbraw/zinc/53/58/61/439535861.db2.gz PAARWSGHZBZNMH-LLVKDONJSA-N 1 0 337.380 0.872 20 5 ECBDRO C[N@H+](CCN1CCCC1=O)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000609578226 439577778 /nfs/dbraw/zinc/57/77/78/439577778.db2.gz MBFMDPKGEXPQIK-CQSZACIVSA-N 1 0 337.376 0.889 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cccc1[N+](=O)[O-] ZINC000599950554 439584284 /nfs/dbraw/zinc/58/42/84/439584284.db2.gz OUHPSDXAJIIJDK-ZWNOBZJWSA-N 1 0 334.376 0.776 20 5 ECBDRO O=C(NCc1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1)C1CC[NH2+]CC1 ZINC000594651337 439586527 /nfs/dbraw/zinc/58/65/27/439586527.db2.gz BXIYPUQAQZEKFQ-UHFFFAOYSA-N 1 0 346.347 0.497 20 5 ECBDRO O=C(NCc1cn(-c2ccc([N+](=O)[O-])cn2)nn1)C1CC[NH2+]CC1 ZINC000594649371 439586858 /nfs/dbraw/zinc/58/68/58/439586858.db2.gz LXCOIFPNGRQAJU-UHFFFAOYSA-N 1 0 331.336 0.186 20 5 ECBDRO Cc1c(Br)c(=O)n(C[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000594696984 439592570 /nfs/dbraw/zinc/59/25/70/439592570.db2.gz USBYCNPSVBRLKE-MRVPVSSYSA-N 1 0 332.154 0.816 20 5 ECBDRO COc1ccc(OCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000610335717 439610908 /nfs/dbraw/zinc/61/09/08/439610908.db2.gz FDJJZKIKGJQINV-CYBMUJFWSA-N 1 0 336.348 0.829 20 5 ECBDRO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC([NH+]2CCOCC2)CC1 ZINC000600106686 439614433 /nfs/dbraw/zinc/61/44/33/439614433.db2.gz GHOLPRKAPHDODL-UHFFFAOYSA-N 1 0 336.348 0.632 20 5 ECBDRO CCc1n[nH]c(C(=O)NCC[NH+]2CCC(OC)CC2)c1[N+](=O)[O-] ZINC000610573261 439628451 /nfs/dbraw/zinc/62/84/51/439628451.db2.gz PTBBJPFWFQWHIP-UHFFFAOYSA-N 1 0 325.369 0.721 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCCN(c3ncccn3)C2)c1 ZINC000573189112 439632406 /nfs/dbraw/zinc/63/24/06/439632406.db2.gz IVRXYUOMVZRLQK-OCCSQVGLSA-N 1 0 347.379 0.201 20 5 ECBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CS(=O)(=O)C[C@@H]1OC ZINC000594967378 439645264 /nfs/dbraw/zinc/64/52/64/439645264.db2.gz XWFIQBJZMGELPY-JSGCOSHPSA-N 1 0 344.389 0.895 20 5 ECBDRO O=[N+]([O-])c1ccc(CCO)c(-c2cnc(N3CC[NH2+]CC3)nc2)c1 ZINC000600851437 439710927 /nfs/dbraw/zinc/71/09/27/439710927.db2.gz YVPJDMDDTXOVMF-UHFFFAOYSA-N 1 0 329.360 0.996 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCCS(=O)(=O)C2)c1 ZINC000574033033 439679580 /nfs/dbraw/zinc/67/95/80/439679580.db2.gz DFHZKMPPRYODDY-YPMHNXCESA-N 1 0 344.389 0.501 20 5 ECBDRO C[NH2+]C[C@H](C)NC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595273846 439686304 /nfs/dbraw/zinc/68/63/04/439686304.db2.gz LQRJEAHMWGGEKW-JTQLQIEISA-N 1 0 344.393 0.276 20 5 ECBDRO CSC[C@H](O)C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000574151952 439686718 /nfs/dbraw/zinc/68/67/18/439686718.db2.gz XZSXZDFJGLMNTF-SNVBAGLBSA-N 1 0 349.434 0.187 20 5 ECBDRO COc1cccc([N+](=O)[O-])c1N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000600675358 439687866 /nfs/dbraw/zinc/68/78/66/439687866.db2.gz LXOREGCZYAHLQV-UHFFFAOYSA-N 1 0 349.391 0.751 20 5 ECBDRO Cc1noc(CN2CCC(O)(C[NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000595408337 439724361 /nfs/dbraw/zinc/72/43/61/439724361.db2.gz JCGYIYJBOYNZJM-UHFFFAOYSA-N 1 0 340.380 0.550 20 5 ECBDRO CN1CCC2(CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)C1=O ZINC000618547458 440131324 /nfs/dbraw/zinc/13/13/24/440131324.db2.gz MNFWZAZCBPWZRV-UHFFFAOYSA-N 1 0 334.376 0.701 20 5 ECBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000287133324 320644172 /nfs/dbraw/zinc/64/41/72/320644172.db2.gz MUJOJJQDNYGZJQ-TZMCWYRMSA-N 1 0 334.376 0.842 20 5 ECBDRO C[NH+](C)[C@]1(CNc2nccc(C(N)=O)c2[N+](=O)[O-])CCSC1 ZINC000290731143 320688342 /nfs/dbraw/zinc/68/83/42/320688342.db2.gz FXOJERRUUMSTNE-ZDUSSCGKSA-N 1 0 325.394 0.938 20 5 ECBDRO O=C(CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[NH2+]CC1 ZINC000317074371 320708582 /nfs/dbraw/zinc/70/85/82/320708582.db2.gz ZBEUFMSLTZIZHV-UHFFFAOYSA-N 1 0 326.740 0.410 20 5 ECBDRO CC(C)[C@@]1(CO)CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000339708208 321000946 /nfs/dbraw/zinc/00/09/46/321000946.db2.gz DHEZXYANNFIAMP-GJZGRUSLSA-N 1 0 326.397 0.883 20 5 ECBDRO CNC(=O)N[C@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000342365820 321087122 /nfs/dbraw/zinc/08/71/22/321087122.db2.gz VTSYZLFPRXXSTI-AAEUAGOBSA-N 1 0 338.364 0.338 20 5 ECBDRO CCOc1ccc(NC(=O)CN(CC[NH3+])CCO)c([N+](=O)[O-])c1 ZINC000342401739 321089848 /nfs/dbraw/zinc/08/98/48/321089848.db2.gz PHRZIEXZJMONGQ-UHFFFAOYSA-N 1 0 326.353 0.185 20 5 ECBDRO O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000347864016 321256039 /nfs/dbraw/zinc/25/60/39/321256039.db2.gz XSRBFNOHFYKLJC-UHFFFAOYSA-N 1 0 329.316 0.579 20 5 ECBDRO C[C@@H]1OCC[C@@]12C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CCO2 ZINC000348248651 321271802 /nfs/dbraw/zinc/27/18/02/321271802.db2.gz PKXFSYPZHBAFAT-IACUBPJLSA-N 1 0 326.353 0.032 20 5 ECBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000349521557 321307501 /nfs/dbraw/zinc/30/75/01/321307501.db2.gz ZTVAOAVJYSVQRZ-LLVKDONJSA-N 1 0 334.336 0.733 20 5 ECBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352516525 321362776 /nfs/dbraw/zinc/36/27/76/321362776.db2.gz APYHWPDQYIZCSY-AWEZNQCLSA-N 1 0 347.419 0.821 20 5 ECBDRO C[C@@H](CN1CCCC1=O)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000555338748 322179408 /nfs/dbraw/zinc/17/94/08/322179408.db2.gz MUBWIAFVVFGICU-GXTWGEPZSA-N 1 0 337.376 0.935 20 5 ECBDRO O=C(CNC(=O)c1c[nH]nc1[N+](=O)[O-])NCC[NH+]1CCCCCC1 ZINC000560315674 322232924 /nfs/dbraw/zinc/23/29/24/322232924.db2.gz DXNIEBCQNUBEIR-UHFFFAOYSA-N 1 0 338.368 0.040 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C ZINC000560564774 322246968 /nfs/dbraw/zinc/24/69/68/322246968.db2.gz WAGFFHDOJVYYIZ-JTQLQIEISA-N 1 0 338.364 0.400 20 5 ECBDRO C[C@H](CS(C)(=O)=O)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000562993940 322291717 /nfs/dbraw/zinc/29/17/17/322291717.db2.gz RWLJHGACKKOSNS-SNVBAGLBSA-N 1 0 329.378 0.946 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCN2CCC(O)CC2)c1 ZINC000563141513 322300776 /nfs/dbraw/zinc/30/07/76/322300776.db2.gz KXLDACMHPKRZSZ-HNNXBMFYSA-N 1 0 339.392 0.381 20 5 ECBDRO COC(=O)c1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000563710411 322340398 /nfs/dbraw/zinc/34/03/98/322340398.db2.gz ZZRRJXXYWMDQHG-SNVBAGLBSA-N 1 0 340.361 0.790 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCS2(=O)=O)c1 ZINC000566556672 322542276 /nfs/dbraw/zinc/54/22/76/322542276.db2.gz KNKNWSZEFQZGBY-JSGCOSHPSA-N 1 0 344.389 0.501 20 5 ECBDRO COc1nccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000567465026 322583963 /nfs/dbraw/zinc/58/39/63/322583963.db2.gz HYHUYLGSQLHXJN-GFCCVEGCSA-N 1 0 334.332 0.923 20 5 ECBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000573467193 322762349 /nfs/dbraw/zinc/76/23/49/322762349.db2.gz LAAWACGTCIDLHA-BXUZGUMPSA-N 1 0 346.387 0.594 20 5 ECBDRO O=C1[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1c1ccccc1 ZINC000577216515 322828855 /nfs/dbraw/zinc/82/88/55/322828855.db2.gz NVOHNLWWLZOAFN-GJZGRUSLSA-N 1 0 345.359 0.547 20 5 ECBDRO CCOC(=O)C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000130761616 528802017 /nfs/dbraw/zinc/80/20/17/528802017.db2.gz KAUDQKNTUYJLMI-LBPRGKRZSA-N 1 0 328.369 0.816 20 5 ECBDRO CCCNC(=O)C[N@H+](CCC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266555556 535065858 /nfs/dbraw/zinc/06/58/58/535065858.db2.gz VWBXBAJDHBOPKX-ZDUSSCGKSA-N 1 0 327.385 0.390 20 5 ECBDRO C[NH2+][C@@H]1CCCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000261828617 536356177 /nfs/dbraw/zinc/35/61/77/536356177.db2.gz YTNVGGULGMEEMT-CYBMUJFWSA-N 1 0 334.376 0.925 20 5 ECBDRO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(C)CC[NH+](C)C ZINC000754353512 579416741 /nfs/dbraw/zinc/41/67/41/579416741.db2.gz ILMWFBSIOKAGTG-UHFFFAOYSA-N 1 0 339.348 0.815 20 5 ECBDRO COCC[N@@H+]1CC[C@@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000730790491 578309009 /nfs/dbraw/zinc/30/90/09/578309009.db2.gz XPXPERASBSYFSQ-CYBMUJFWSA-N 1 0 347.375 0.781 20 5 ECBDRO Cn1cc(N2CC[C@H]([NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2=O)cn1 ZINC000732228986 578321618 /nfs/dbraw/zinc/32/16/18/578321618.db2.gz RYQVFRZLPBPVAO-LSDHHAIUSA-N 1 0 345.359 0.757 20 5 ECBDRO C[N@@H+]1CCCN(CCCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000733977866 578350829 /nfs/dbraw/zinc/35/08/29/578350829.db2.gz TUNRDRIFQBWRBU-UHFFFAOYSA-N 1 0 335.408 0.934 20 5 ECBDRO C[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788827196 578844008 /nfs/dbraw/zinc/84/40/08/578844008.db2.gz JWNFXKLHTDNGCM-SNVBAGLBSA-N 1 0 343.405 0.767 20 5 ECBDRO O=C(C[NH2+][C@@H](CO)C1CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000771812778 579195736 /nfs/dbraw/zinc/19/57/36/579195736.db2.gz JQSULUYQUFVHTA-INIZCTEOSA-N 1 0 348.403 0.604 20 5 ECBDRO C[NH+](C)CCOCCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778423622 579308956 /nfs/dbraw/zinc/30/89/56/579308956.db2.gz UECLRWYOQOVEOF-UHFFFAOYSA-N 1 0 339.377 0.908 20 5 ECBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000762714743 579546568 /nfs/dbraw/zinc/54/65/68/579546568.db2.gz CWBMDXUNSWRRJL-GDBMZVCRSA-N 1 0 348.359 0.271 20 5 ECBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CC[NH+](CCCCO)CC1 ZINC000738359555 579623899 /nfs/dbraw/zinc/62/38/99/579623899.db2.gz SVPPNYROXSYXTE-UHFFFAOYSA-N 1 0 347.379 0.669 20 5 ECBDRO COc1ccccc1[C@@H](O)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000743260345 579796095 /nfs/dbraw/zinc/79/60/95/579796095.db2.gz BJJATHXTVXYHPU-JSGCOSHPSA-N 1 0 336.348 0.484 20 5 ECBDRO [NH3+]CCc1ccc(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000841861870 589003287 /nfs/dbraw/zinc/00/32/87/589003287.db2.gz OEXKOLIBKIOGPU-UHFFFAOYSA-N 1 0 332.364 0.792 20 5 ECBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000842482817 589032160 /nfs/dbraw/zinc/03/21/60/589032160.db2.gz ZMRFCIKYSKRMNB-JTQLQIEISA-N 1 0 349.796 0.905 20 5 ECBDRO COc1cc(S(=O)(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000842744925 589034851 /nfs/dbraw/zinc/03/48/51/589034851.db2.gz XUGVDAVOHMFIEC-TVQRCGJNSA-N 1 0 345.377 0.340 20 5 ECBDRO Cn1cc(C[C@H](CO)C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000843111549 589051208 /nfs/dbraw/zinc/05/12/08/589051208.db2.gz GEAJIZPRTYKGFV-XJKSGUPXSA-N 1 0 334.376 0.803 20 5 ECBDRO O=C1N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C(=O)N1CC[N+](=O)[O-] ZINC000899876108 586510766 /nfs/dbraw/zinc/51/07/66/586510766.db2.gz MMIZZAHULQDOJX-MRXNPFEDSA-N 1 0 332.360 0.850 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000902810134 586759460 /nfs/dbraw/zinc/75/94/60/586759460.db2.gz QQPDLFPNJPLOMI-IMRBUKKESA-N 1 0 332.360 0.860 20 5 ECBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000808080116 587143470 /nfs/dbraw/zinc/14/34/70/587143470.db2.gz GTDSEQALNQUJGT-JTQLQIEISA-N 1 0 340.355 0.893 20 5 ECBDRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000808222293 587149959 /nfs/dbraw/zinc/14/99/59/587149959.db2.gz VRYOAZNVOUYMMP-LLVKDONJSA-N 1 0 338.320 0.690 20 5 ECBDRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000808222423 587150217 /nfs/dbraw/zinc/15/02/17/587150217.db2.gz WOXKLZCBLFNFNQ-JTQLQIEISA-N 1 0 333.348 0.658 20 5 ECBDRO C[NH+]1CCC2(CC1)CN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)CCO2 ZINC000844093239 589093391 /nfs/dbraw/zinc/09/33/91/589093391.db2.gz BIFPNRIPYSBFJC-HNNXBMFYSA-N 1 0 349.387 0.951 20 5 ECBDRO COC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)CC[N@H+](C)C1 ZINC000840361218 587431210 /nfs/dbraw/zinc/43/12/10/587431210.db2.gz UXDLGAKOHFZPPD-VIFPVBQESA-N 1 0 335.320 0.672 20 5 ECBDRO C[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC1(C)OCCO1 ZINC000819095917 587468381 /nfs/dbraw/zinc/46/83/81/587468381.db2.gz JSSIYRQWFVHWBW-YPMHNXCESA-N 1 0 328.369 0.531 20 5 ECBDRO CC[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1 ZINC000819141078 587470013 /nfs/dbraw/zinc/47/00/13/587470013.db2.gz UXBJNMGFRLITKL-CABCVRRESA-N 1 0 337.376 0.855 20 5 ECBDRO COCc1nc2n(n1)C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000819154185 587470704 /nfs/dbraw/zinc/47/07/04/587470704.db2.gz OUSZDZVMATXTHC-JSGCOSHPSA-N 1 0 347.375 0.971 20 5 ECBDRO CC[C@H](O)C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000820933212 587565042 /nfs/dbraw/zinc/56/50/42/587565042.db2.gz SSKFVNYUBZQANV-NSHDSACASA-N 1 0 348.367 0.063 20 5 ECBDRO COCC[N@H+](C)CCCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821689142 587622631 /nfs/dbraw/zinc/62/26/31/587622631.db2.gz MWUVLJUMGTWMTB-UHFFFAOYSA-N 1 0 336.356 0.550 20 5 ECBDRO C[NH+](C)CCNC(=O)CN1c2ccc([N+](=O)[O-])cc2C(F)(F)C1=O ZINC000822148391 587645672 /nfs/dbraw/zinc/64/56/72/587645672.db2.gz JSLAKDARCQIACJ-UHFFFAOYSA-N 1 0 342.302 0.711 20 5 ECBDRO COc1cc(OCc2nc(N3CC[NH2+]CC3)no2)ccc1[N+](=O)[O-] ZINC000823314491 587715591 /nfs/dbraw/zinc/71/55/91/587715591.db2.gz DSCDMFGWSWYJEF-UHFFFAOYSA-N 1 0 335.320 0.975 20 5 ECBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000830022629 588354978 /nfs/dbraw/zinc/35/49/78/588354978.db2.gz LRRNCACSVWNCGZ-VXGBXAGGSA-N 1 0 339.421 0.796 20 5 ECBDRO O=C1c2ccc([N+](=O)[O-])cc2S(=O)(=O)N1CC[C@@H]1CC[NH2+]C1 ZINC000830414689 588371611 /nfs/dbraw/zinc/37/16/11/588371611.db2.gz VDKYTKQBFHNUOE-VIFPVBQESA-N 1 0 325.346 0.739 20 5 ECBDRO [NH3+]C[C@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000848438967 589293955 /nfs/dbraw/zinc/29/39/55/589293955.db2.gz NTIALNDLXDYSED-JTQLQIEISA-N 1 0 331.254 0.950 20 5 ECBDRO Cc1noc(CONC(=[NH2+])[C@H]2CN(C(C)C)CCO2)c1[N+](=O)[O-] ZINC000853685735 589555016 /nfs/dbraw/zinc/55/50/16/589555016.db2.gz OQWNBXXYBZBXBU-SNVBAGLBSA-N 1 0 327.341 0.999 20 5 ECBDRO Cc1c(C(=O)N[C@@H](CO)C[NH+](C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000854466366 589587738 /nfs/dbraw/zinc/58/77/38/589587738.db2.gz BOXCVSVTSOZIAL-SECBINFHSA-N 1 0 326.309 0.464 20 5 ECBDRO CN(CCC[NH+](C)C)CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000855418029 589630893 /nfs/dbraw/zinc/63/08/93/589630893.db2.gz TZLHMHRMXDXHHF-OAHLLOKOSA-N 1 0 338.408 0.628 20 5 ECBDRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000856097572 589654349 /nfs/dbraw/zinc/65/43/49/589654349.db2.gz CNIDVXGZCCXDPZ-CVEARBPZSA-N 1 0 349.387 0.998 20 5 ECBDRO O=C(N1CCOC2(C[NH2+]C2)C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857765769 589704283 /nfs/dbraw/zinc/70/42/83/589704283.db2.gz DCOIHZZERDIZNW-UHFFFAOYSA-N 1 0 343.286 0.767 20 5 ECBDRO O=C(CN1C[C@@H]2C[C@H]1C[NH2+]2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000866679854 589757851 /nfs/dbraw/zinc/75/78/51/589757851.db2.gz XYZHXDCIZXRKOC-BBRMVZONSA-N 1 0 345.403 0.290 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC000880071931 590365805 /nfs/dbraw/zinc/36/58/05/590365805.db2.gz LTHGVDYDCMDHCI-LSDHHAIUSA-N 1 0 348.403 0.983 20 5 ECBDRO Cn1cc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC[C@@H]3C2)cn1 ZINC000946589305 611356488 /nfs/dbraw/zinc/35/64/88/611356488.db2.gz QUABKGBMYXYQEK-QKPAOTATSA-N 1 0 347.419 0.756 20 5 ECBDRO C[NH+]1CCC(N(CCO)C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000911934179 609923492 /nfs/dbraw/zinc/92/34/92/609923492.db2.gz XXLSCLWZPHUYGB-UHFFFAOYSA-N 1 0 337.376 0.889 20 5 ECBDRO C[NH+](C)CCNC(=S)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000916114919 609932194 /nfs/dbraw/zinc/93/21/94/609932194.db2.gz UQVLPSMWTNXBMX-OLZOCXBDSA-N 1 0 342.421 0.015 20 5 ECBDRO O=C(CN1CCC[C@H]([NH2+]CCO)C1)N1CCc2ccc([N+](=O)[O-])cc21 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1 0 343.405 0.888 20 5 ECBDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000192915563 437697268 /nfs/dbraw/zinc/69/72/68/437697268.db2.gz ZLZMWMWDZWWUMX-OKILXGFUSA-N 1 0 339.417 0.961 20 5 ECBDRO CCN1CC[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000356144109 437751708 /nfs/dbraw/zinc/75/17/08/437751708.db2.gz DFDOUUWBLJEAPT-UHFFFAOYSA-N 1 0 338.412 0.476 20 5 ECBDRO CN(C)c1ncc(C[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000356196547 437753456 /nfs/dbraw/zinc/75/34/56/437753456.db2.gz BXKZPBQAIQSYDJ-CYBMUJFWSA-N 1 0 335.368 0.140 20 5 ECBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(O)CCS(=O)(=O)CC2)c(F)c1 ZINC000341281723 437824462 /nfs/dbraw/zinc/82/44/62/437824462.db2.gz XHHTUIGACUIHSM-UHFFFAOYSA-N 1 0 332.353 0.763 20 5 ECBDRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000364925445 437826780 /nfs/dbraw/zinc/82/67/80/437826780.db2.gz ZHYHETCGHDHLII-LBPRGKRZSA-N 1 0 325.369 0.097 20 5 ECBDRO COc1ccc(NC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000415590769 437827647 /nfs/dbraw/zinc/82/76/47/437827647.db2.gz HCMVHJPGYVTMOM-MRXNPFEDSA-N 1 0 348.359 0.754 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000415477686 437810866 /nfs/dbraw/zinc/81/08/66/437810866.db2.gz BSMRVMKVOOUQMA-UHFFFAOYSA-N 1 0 338.364 0.985 20 5 ECBDRO Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N(C)CC[NH3+])ccc1[N+](=O)[O-] ZINC000424011144 437874991 /nfs/dbraw/zinc/87/49/91/437874991.db2.gz PZSCKEWTKPEJNM-CQSZACIVSA-N 1 0 334.376 0.925 20 5 ECBDRO C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371300438 437915214 /nfs/dbraw/zinc/91/52/14/437915214.db2.gz ACZDKFNQPHPABV-HUUCEWRRSA-N 1 0 336.440 0.749 20 5 ECBDRO C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371341309 437923431 /nfs/dbraw/zinc/92/34/31/437923431.db2.gz NCORBFBJNXMXCC-GOEBONIOSA-N 1 0 336.440 0.749 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000365318237 437893548 /nfs/dbraw/zinc/89/35/48/437893548.db2.gz NYQNDLCPOKJMLS-LLVKDONJSA-N 1 0 343.409 0.328 20 5 ECBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000357050409 437896463 /nfs/dbraw/zinc/89/64/63/437896463.db2.gz OPPFYZZYKIREFT-LBPRGKRZSA-N 1 0 339.396 0.901 20 5 ECBDRO Cn1cc([C@@H]2CN(C(=O)CNc3ccccc3[N+](=O)[O-])C[C@H]2[NH3+])cn1 ZINC000424220920 437905763 /nfs/dbraw/zinc/90/57/63/437905763.db2.gz APFUOVLOLCGSJP-QWHCGFSZSA-N 1 0 344.375 0.694 20 5 ECBDRO CC1CC[NH+](C[C@H](O)CNc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000357236772 437939572 /nfs/dbraw/zinc/93/95/72/437939572.db2.gz UNUWRAFLELHLIJ-LLVKDONJSA-N 1 0 337.380 0.593 20 5 ECBDRO COC[C@]1(CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000357253607 437948579 /nfs/dbraw/zinc/94/85/79/437948579.db2.gz HCKTUKQMWNRPPO-MRXNPFEDSA-N 1 0 336.392 0.916 20 5 ECBDRO [NH3+]C1(CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000342582360 438033434 /nfs/dbraw/zinc/03/34/34/438033434.db2.gz HYODPVNHJNMHFL-UHFFFAOYSA-N 1 0 335.364 0.392 20 5 ECBDRO [NH3+]C1(CNC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC1 ZINC000342612014 438038421 /nfs/dbraw/zinc/03/84/21/438038421.db2.gz VYRCKEFPQLMPFH-UHFFFAOYSA-N 1 0 340.767 0.976 20 5 ECBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000417909646 438089585 /nfs/dbraw/zinc/08/95/85/438089585.db2.gz KMYCQVBVHCQMCH-CHWSQXEVSA-N 1 0 336.396 0.822 20 5 ECBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000428646023 438091601 /nfs/dbraw/zinc/09/16/01/438091601.db2.gz OOVIZSRESZZXMG-NEPJUHHUSA-N 1 0 338.412 0.943 20 5 ECBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000358044484 438129654 /nfs/dbraw/zinc/12/96/54/438129654.db2.gz IRBCDWFDYRFDMN-HNNXBMFYSA-N 1 0 337.332 0.162 20 5 ECBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000358060836 438138098 /nfs/dbraw/zinc/13/80/98/438138098.db2.gz GEHBPCVOGKQCHO-MRXNPFEDSA-N 1 0 345.359 0.577 20 5 ECBDRO C[NH+]1CCC(n2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)n2)CC1 ZINC000373228958 438136137 /nfs/dbraw/zinc/13/61/37/438136137.db2.gz JNABTNOULARDJE-UHFFFAOYSA-N 1 0 333.352 0.893 20 5 ECBDRO COC[C@H](C)OC[C@@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373242233 438139634 /nfs/dbraw/zinc/13/96/34/438139634.db2.gz LMYOSTGYCZHBCG-JSGCOSHPSA-N 1 0 342.396 0.841 20 5 ECBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000358067629 438140111 /nfs/dbraw/zinc/14/01/11/438140111.db2.gz QDSYDSGFEFYYDE-MRXNPFEDSA-N 1 0 332.360 0.732 20 5 ECBDRO Cc1ccc(C)c(S(=O)(=O)N2CCO[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000366934531 438145014 /nfs/dbraw/zinc/14/50/14/438145014.db2.gz BPIBXVBZKVRKID-LLVKDONJSA-N 1 0 329.378 0.560 20 5 ECBDRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000358190591 438178425 /nfs/dbraw/zinc/17/84/25/438178425.db2.gz CMDYZSGATHNKRN-AWEZNQCLSA-N 1 0 343.405 0.123 20 5 ECBDRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418764448 438184072 /nfs/dbraw/zinc/18/40/72/438184072.db2.gz ALADAGJUXWPPMO-BXUZGUMPSA-N 1 0 334.376 0.982 20 5 ECBDRO O=C(NC[C@@H]1C[NH2+]CCO1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418777566 438186345 /nfs/dbraw/zinc/18/63/45/438186345.db2.gz YQLOFRDBPUZDHM-ZDUSSCGKSA-N 1 0 336.348 0.487 20 5 ECBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000358224650 438186462 /nfs/dbraw/zinc/18/64/62/438186462.db2.gz CCKZMHLXMRKHEH-LRDDRELGSA-N 1 0 336.392 0.968 20 5 ECBDRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000418786570 438188618 /nfs/dbraw/zinc/18/86/18/438188618.db2.gz SHFPZPMPOQJWJW-OBCWZRDOSA-N 1 0 346.387 0.968 20 5 ECBDRO C[C@H](NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000418783586 438188729 /nfs/dbraw/zinc/18/87/29/438188729.db2.gz OTNKDUQUVHXAST-MEDUHNTESA-N 1 0 334.376 0.969 20 5 ECBDRO C[C@@H](NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000418781918 438188973 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ZINC000358943322 438334255 /nfs/dbraw/zinc/33/42/55/438334255.db2.gz OPRBYKGVOQPCOP-GXSJLCMTSA-N 1 0 326.401 0.941 20 5 ECBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000368811959 438382974 /nfs/dbraw/zinc/38/29/74/438382974.db2.gz CWDJTWRRPHAHBG-NWDGAFQWSA-N 1 0 341.389 0.736 20 5 ECBDRO CO[C@@H]1CCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)[C@H](C[NH3+])C1 ZINC000359229433 438383973 /nfs/dbraw/zinc/38/39/73/438383973.db2.gz OTWUIMUJFNOIEW-QWHCGFSZSA-N 1 0 339.396 0.763 20 5 ECBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000394095320 438444065 /nfs/dbraw/zinc/44/40/65/438444065.db2.gz MWGXJFYDIRZLFC-NSHDSACASA-N 1 0 328.394 0.085 20 5 ECBDRO C[C@H]1[NH2+]CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C ZINC000436064730 438398294 /nfs/dbraw/zinc/39/82/94/438398294.db2.gz MZRYPZZXNCCOBA-ZJUUUORDSA-N 1 0 336.348 0.944 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000420430193 438407007 /nfs/dbraw/zinc/40/70/07/438407007.db2.gz CFELSYNEZPEMSO-LDYMZIIASA-N 1 0 343.361 0.349 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)N[C@H]2C[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000420433009 438407296 /nfs/dbraw/zinc/40/72/96/438407296.db2.gz IFQVZMUFYNDZPA-ZKCHVHJHSA-N 1 0 329.334 0.149 20 5 ECBDRO CNC(=O)[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000420974992 438453865 /nfs/dbraw/zinc/45/38/65/438453865.db2.gz NLCLYYFPWUSAPY-BXUZGUMPSA-N 1 0 332.360 0.768 20 5 ECBDRO [NH3+]C[C@H]1Cc2ccccc2N1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000422624654 438595360 /nfs/dbraw/zinc/59/53/60/438595360.db2.gz CLRXLSNUDCXJRO-CYBMUJFWSA-N 1 0 328.328 0.673 20 5 ECBDRO C[C@H]1C[C@@H](C[NH3+])CN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000442751526 438622436 /nfs/dbraw/zinc/62/24/36/438622436.db2.gz CCHNHEWKASFPIK-UWVGGRQHSA-N 1 0 336.348 0.931 20 5 ECBDRO C[N@@H+]1CC[C@@H]2CN(c3cc([N+](=O)[O-])ccc3S(N)(=O)=O)C[C@@H]21 ZINC000450775568 438693850 /nfs/dbraw/zinc/69/38/50/438693850.db2.gz GAQKVAXXMVIKCQ-SKDRFNHKSA-N 1 0 326.378 0.383 20 5 ECBDRO CNC(=O)CCOC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000494951504 438714184 /nfs/dbraw/zinc/71/41/84/438714184.db2.gz HHURGRMJLNVCOY-UHFFFAOYSA-N 1 0 325.369 0.408 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCN[C@@H]2CCC[NH2+]C2)cc1 ZINC000415075375 438728041 /nfs/dbraw/zinc/72/80/41/438728041.db2.gz DWOHRFKEISCKQF-LLVKDONJSA-N 1 0 328.394 0.215 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000457367132 438804873 /nfs/dbraw/zinc/80/48/73/438804873.db2.gz DUHFCGUYCQLIDL-UONOGXRCSA-N 1 0 346.387 0.701 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccc(OCCO)cc2)c1 ZINC000576040396 438765551 /nfs/dbraw/zinc/76/55/51/438765551.db2.gz DEGRWRIJHOKUNH-AWEZNQCLSA-N 1 0 336.348 0.313 20 5 ECBDRO COCC1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCOCC1 ZINC000514668821 438823934 /nfs/dbraw/zinc/82/39/34/438823934.db2.gz NYXHQNGEQDBIJG-CYBMUJFWSA-N 1 0 328.369 0.185 20 5 ECBDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595668625 438843307 /nfs/dbraw/zinc/84/33/07/438843307.db2.gz USVSFDJSVVRSPN-FPMFFAJLSA-N 1 0 340.332 0.255 20 5 ECBDRO C[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)NCC[NH+](C)C ZINC000588874007 438847152 /nfs/dbraw/zinc/84/71/52/438847152.db2.gz YLVNJSRBKAIEIB-JTQLQIEISA-N 1 0 347.375 0.872 20 5 ECBDRO CN(C(=O)CN1CCC([NH2+]CCO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000601328058 438848301 /nfs/dbraw/zinc/84/83/01/438848301.db2.gz FQXUOBXZXBKKTM-UHFFFAOYSA-N 1 0 336.392 0.604 20 5 ECBDRO COC(=O)COc1ccc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cc1[N+](=O)[O-] ZINC000590053189 438900233 /nfs/dbraw/zinc/90/02/33/438900233.db2.gz QKFDIPSEGDAKQJ-ITGUQSILSA-N 1 0 336.344 0.817 20 5 ECBDRO CSC[C@@H](O)C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000578232418 438907559 /nfs/dbraw/zinc/90/75/59/438907559.db2.gz SAMKJMCVGAVBRE-NSHDSACASA-N 1 0 349.434 0.187 20 5 ECBDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000515467265 438869702 /nfs/dbraw/zinc/86/97/02/438869702.db2.gz VWHWTSZVEUPOIL-XAFGUMMBSA-N 1 0 344.437 0.822 20 5 ECBDRO CNc1nccc(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c1[N+](=O)[O-] ZINC000564224815 438873146 /nfs/dbraw/zinc/87/31/46/438873146.db2.gz QFDZRLPQMYYZSA-NSHDSACASA-N 1 0 337.380 0.608 20 5 ECBDRO NC(=O)c1ccnc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000589569680 438877338 /nfs/dbraw/zinc/87/73/38/438877338.db2.gz NLUJDOLLUJSQKZ-NWDGAFQWSA-N 1 0 335.364 0.124 20 5 ECBDRO [NH3+]CC12CC(C1)CN2C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000595942873 438892313 /nfs/dbraw/zinc/89/23/13/438892313.db2.gz LFKAJRTUUUKMSU-UHFFFAOYSA-N 1 0 328.332 0.739 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H](CO)Cc2ccccc2)c1 ZINC000578442873 438923464 /nfs/dbraw/zinc/92/34/64/438923464.db2.gz LIWWLGNOEKLHFZ-ZBFHGGJFSA-N 1 0 334.376 0.593 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H](CO)Cc2ccccc2)c1 ZINC000578442871 438924893 /nfs/dbraw/zinc/92/48/93/438924893.db2.gz LIWWLGNOEKLHFZ-GOEBONIOSA-N 1 0 334.376 0.593 20 5 ECBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590447546 438925831 /nfs/dbraw/zinc/92/58/31/438925831.db2.gz YUZOVHOGOBOMBH-DZGCQCFKSA-N 1 0 346.387 0.877 20 5 ECBDRO NC(=O)c1cc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000596111623 438926870 /nfs/dbraw/zinc/92/68/70/438926870.db2.gz AJUORFJYIVBHDQ-GJZGRUSLSA-N 1 0 334.376 0.729 20 5 ECBDRO CN(CCC[NH+]1CCN(C)CC1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596122103 438928445 /nfs/dbraw/zinc/92/84/45/438928445.db2.gz RPMGPUQILPRBGA-UHFFFAOYSA-N 1 0 335.408 0.767 20 5 ECBDRO NS(=O)(=O)c1ccc(NCC[N@@H+]2CCCOCC2)cc1[N+](=O)[O-] ZINC000590584918 438936111 /nfs/dbraw/zinc/93/61/11/438936111.db2.gz XUOAVKJDHMUYPZ-UHFFFAOYSA-N 1 0 344.393 0.376 20 5 ECBDRO C[NH+](C)[C@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1O ZINC000590600325 438938536 /nfs/dbraw/zinc/93/85/36/438938536.db2.gz ULFZFSKRKAKIAZ-STQMWFEESA-N 1 0 333.348 0.752 20 5 ECBDRO Nc1ccc(N2CCC(O)(C[NH+]3CCOCC3)CC2)nc1[N+](=O)[O-] ZINC000596189808 438939072 /nfs/dbraw/zinc/93/90/72/438939072.db2.gz SDLRDOWISNBFDT-UHFFFAOYSA-N 1 0 337.380 0.236 20 5 ECBDRO O=C(CC[NH2+]CC(=O)N1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000565475508 438955061 /nfs/dbraw/zinc/95/50/61/438955061.db2.gz AYAHGSZRNPRCMY-UHFFFAOYSA-N 1 0 336.348 0.372 20 5 ECBDRO C[NH+](C)CCC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CCO1 ZINC000596568686 438977255 /nfs/dbraw/zinc/97/72/55/438977255.db2.gz TYKBOFYYILVCDT-GFCCVEGCSA-N 1 0 337.380 0.636 20 5 ECBDRO O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601983249 438996237 /nfs/dbraw/zinc/99/62/37/438996237.db2.gz MEUMPYHABSQJKY-QWHCGFSZSA-N 1 0 348.407 0.800 20 5 ECBDRO O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000601980284 438996386 /nfs/dbraw/zinc/99/63/86/438996386.db2.gz GLISONJZYASMJJ-RYUDHWBXSA-N 1 0 334.380 0.410 20 5 ECBDRO COc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000591304355 439000675 /nfs/dbraw/zinc/00/06/75/439000675.db2.gz FAUWICIJXCEEES-CMPLNLGQSA-N 1 0 348.359 0.752 20 5 ECBDRO C[NH+](C)CCn1cc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])ccc1=O ZINC000566446089 439054945 /nfs/dbraw/zinc/05/49/45/439054945.db2.gz FEVCOSBADWGNRJ-UHFFFAOYSA-N 1 0 346.347 0.548 20 5 ECBDRO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591438095 439014251 /nfs/dbraw/zinc/01/42/51/439014251.db2.gz KXIYSNFUYVANKY-KOLCDFICSA-N 1 0 326.378 0.430 20 5 ECBDRO Cn1c(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)nc2ccccc21 ZINC000519539878 439038305 /nfs/dbraw/zinc/03/83/05/439038305.db2.gz KTERIWYIVZROCJ-LBPRGKRZSA-N 1 0 330.348 0.829 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H](O)[C@@H]1CCOC1 ZINC000580551438 439104006 /nfs/dbraw/zinc/10/40/06/439104006.db2.gz NXMUXBQQWKQTNV-BZPMIXESSA-N 1 0 326.349 0.322 20 5 ECBDRO CC(=O)N1CC[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000591754297 439080274 /nfs/dbraw/zinc/08/02/74/439080274.db2.gz IATBOYLYVCCBQW-LBPRGKRZSA-N 1 0 341.389 0.579 20 5 ECBDRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)c3cccnc3[N+](=O)[O-])C2)C1 ZINC000566722313 439082326 /nfs/dbraw/zinc/08/23/26/439082326.db2.gz RXCUQMSHSZLYGB-ZDUSSCGKSA-N 1 0 326.378 0.706 20 5 ECBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000591765611 439083304 /nfs/dbraw/zinc/08/33/04/439083304.db2.gz HDTYIDZTCNCDOE-NTZNESFSSA-N 1 0 326.353 0.474 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000597624802 439141144 /nfs/dbraw/zinc/14/11/44/439141144.db2.gz LIBRUQCCZWFWLG-ZDUSSCGKSA-N 1 0 334.376 0.723 20 5 ECBDRO COc1cc(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)ccc1[N+](=O)[O-] ZINC000597624795 439141952 /nfs/dbraw/zinc/14/19/52/439141952.db2.gz KZUXCXLJWDAXAI-ZDUSSCGKSA-N 1 0 334.376 0.723 20 5 ECBDRO C[C@H]1COCCN1CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567679095 439163621 /nfs/dbraw/zinc/16/36/21/439163621.db2.gz KVBNXKJLUJRHGB-KBPBESRZSA-N 1 0 339.392 0.645 20 5 ECBDRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000592184945 439174320 /nfs/dbraw/zinc/17/43/20/439174320.db2.gz MWWVPXLRKFUWCC-LLVKDONJSA-N 1 0 335.286 0.792 20 5 ECBDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000597943303 439202808 /nfs/dbraw/zinc/20/28/08/439202808.db2.gz XJFLBSGZTWORFB-NSHDSACASA-N 1 0 339.396 0.697 20 5 ECBDRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000592368431 439212112 /nfs/dbraw/zinc/21/21/12/439212112.db2.gz JRZREJFFCIHFNS-SNVBAGLBSA-N 1 0 329.378 0.833 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(C[NH3+])CC1 ZINC000592363536 439212658 /nfs/dbraw/zinc/21/26/58/439212658.db2.gz CUMZGRUGSJEMKV-UHFFFAOYSA-N 1 0 329.378 0.963 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000592381688 439215279 /nfs/dbraw/zinc/21/52/79/439215279.db2.gz XPXBKMVFQCIKNG-VHSXEESVSA-N 1 0 329.378 0.961 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000592381686 439216322 /nfs/dbraw/zinc/21/63/22/439216322.db2.gz XPXBKMVFQCIKNG-NXEZZACHSA-N 1 0 329.378 0.961 20 5 ECBDRO CN(CCN1CC[NH2+]CC1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000592472077 439236134 /nfs/dbraw/zinc/23/61/34/439236134.db2.gz IDQVJCBROCJBDD-UHFFFAOYSA-N 1 0 347.419 0.321 20 5 ECBDRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000592556284 439252944 /nfs/dbraw/zinc/25/29/44/439252944.db2.gz SQJPEAGXIFJMCC-LBPRGKRZSA-N 1 0 325.296 0.711 20 5 ECBDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000568530915 439256934 /nfs/dbraw/zinc/25/69/34/439256934.db2.gz ZDILQRSUEJPLFF-UHFFFAOYSA-N 1 0 337.380 0.537 20 5 ECBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000592568531 439257184 /nfs/dbraw/zinc/25/71/84/439257184.db2.gz VWXUTRQGQDRCDD-RKDXNWHRSA-N 1 0 329.378 0.854 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H](O)[C@H]2CCOC2)c1 ZINC000581884488 439261549 /nfs/dbraw/zinc/26/15/49/439261549.db2.gz LLPWPPJRLGHFDS-LNSITVRQSA-N 1 0 326.349 0.322 20 5 ECBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000598451844 439263812 /nfs/dbraw/zinc/26/38/12/439263812.db2.gz DCESSLLXXHTIST-CQSZACIVSA-N 1 0 334.376 0.969 20 5 ECBDRO C[N@@H+]1C[C@H]2CCN(C(=O)CNC(=O)Nc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000598901625 439324267 /nfs/dbraw/zinc/32/42/67/439324267.db2.gz AWILILAIWNMGCT-BXUZGUMPSA-N 1 0 347.375 0.879 20 5 ECBDRO Cc1cc(S(=O)(=O)N(C)CCN2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000592983078 439328302 /nfs/dbraw/zinc/32/83/02/439328302.db2.gz WPYAYSHAGIOBFY-UHFFFAOYSA-N 1 0 342.421 0.429 20 5 ECBDRO COc1cccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1OC ZINC000569430531 439330047 /nfs/dbraw/zinc/33/00/47/439330047.db2.gz FXZFPPCFNBPMKB-CYBMUJFWSA-N 1 0 336.348 0.959 20 5 ECBDRO C[N@H+]1CC=C(CNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 ZINC000598614203 439288761 /nfs/dbraw/zinc/28/87/61/439288761.db2.gz PLXJLTMEDSRXSA-UHFFFAOYSA-N 1 0 334.380 0.895 20 5 ECBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000592875082 439294183 /nfs/dbraw/zinc/29/41/83/439294183.db2.gz WDRFYRWAVWZAJK-JTQLQIEISA-N 1 0 335.364 0.369 20 5 ECBDRO COc1ccc(OC)c(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000582480315 439338267 /nfs/dbraw/zinc/33/82/67/439338267.db2.gz YTXCPCGZPKGBEC-ZDUSSCGKSA-N 1 0 336.348 0.959 20 5 ECBDRO C[NH+](C)C1CC(NC(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000598720797 439307873 /nfs/dbraw/zinc/30/78/73/439307873.db2.gz SDHCGAZUZPIQGT-UHFFFAOYSA-N 1 0 341.389 0.821 20 5 ECBDRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1c[nH]nc1[N+](=O)[O-] ZINC000598738031 439309594 /nfs/dbraw/zinc/30/95/94/439309594.db2.gz MONJGCLDJQCCTN-CYBMUJFWSA-N 1 0 345.359 0.467 20 5 ECBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000598743664 439311302 /nfs/dbraw/zinc/31/13/02/439311302.db2.gz UNXLVUHCZXPFAT-UHFFFAOYSA-N 1 0 338.412 0.772 20 5 ECBDRO Cc1nn(C)c(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000604382713 439311692 /nfs/dbraw/zinc/31/16/92/439311692.db2.gz NGRZXTXNNOSZFF-UHFFFAOYSA-N 1 0 330.348 0.994 20 5 ECBDRO Cc1cc(C)c(S(=O)(=O)N(C)CCOCC[NH3+])cc1[N+](=O)[O-] ZINC000599109986 439362375 /nfs/dbraw/zinc/36/23/75/439362375.db2.gz BATNPJXLKXGNJW-UHFFFAOYSA-N 1 0 331.394 0.807 20 5 ECBDRO C[NH+](C)CCN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000593235657 439355914 /nfs/dbraw/zinc/35/59/14/439355914.db2.gz YIWCKPDGGLRJJX-UHFFFAOYSA-N 1 0 334.376 0.370 20 5 ECBDRO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599099646 439357271 /nfs/dbraw/zinc/35/72/71/439357271.db2.gz HYYBVLWSYMTHII-UHFFFAOYSA-N 1 0 339.377 0.526 20 5 ECBDRO C[C@@H]1CC2(CN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000599099628 439357467 /nfs/dbraw/zinc/35/74/67/439357467.db2.gz GZWMDEDKOYVZEV-SNVBAGLBSA-N 1 0 343.409 0.481 20 5 ECBDRO C[NH2+]CCOCCNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000599106717 439357899 /nfs/dbraw/zinc/35/78/99/439357899.db2.gz INHVPRPJXMODBQ-UHFFFAOYSA-N 1 0 331.394 0.726 20 5 ECBDRO COC[C@@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OC ZINC000582721309 439372540 /nfs/dbraw/zinc/37/25/40/439372540.db2.gz ATSQMLASPAUSMS-GFCCVEGCSA-N 1 0 332.378 0.620 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H](CO)Cc2ccncc2)c1 ZINC000582785398 439380330 /nfs/dbraw/zinc/38/03/30/439380330.db2.gz DXQKMQGHRXRFIS-ZBFHGGJFSA-N 1 0 347.371 0.923 20 5 ECBDRO O=c1[nH]c(N2CC([N@@H+]3CC[C@@H](O)C3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000593505559 439389827 /nfs/dbraw/zinc/38/98/27/439389827.db2.gz XTIQHKQCEFFKGB-LLVKDONJSA-N 1 0 331.332 0.499 20 5 ECBDRO [NH3+][C@H]1C[C@@H]2CN(c3ccc([N+](=O)[O-])c4cccnc43)CCN2C1=O ZINC000582857046 439390865 /nfs/dbraw/zinc/39/08/65/439390865.db2.gz HLDFLOUOFBPAAS-PWSUYJOCSA-N 1 0 327.344 0.891 20 5 ECBDRO NC(=O)[C@H]1CC[C@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000582900188 439393805 /nfs/dbraw/zinc/39/38/05/439393805.db2.gz GYJUBRYPPKLJAQ-NQBHXWOUSA-N 1 0 325.369 0.034 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)n1 ZINC000599237431 439395438 /nfs/dbraw/zinc/39/54/38/439395438.db2.gz QGBKKIGXVNEPIX-LLVKDONJSA-N 1 0 347.441 0.973 20 5 ECBDRO C[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000599256005 439402110 /nfs/dbraw/zinc/40/21/10/439402110.db2.gz PEBURWCKASKFFK-VIFPVBQESA-N 1 0 333.414 0.583 20 5 ECBDRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCSC1 ZINC000593555644 439403933 /nfs/dbraw/zinc/40/39/33/439403933.db2.gz GLWSBFLACLBTDC-GFCCVEGCSA-N 1 0 346.434 0.705 20 5 ECBDRO Cc1ccnc(N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000583193974 439431711 /nfs/dbraw/zinc/43/17/11/439431711.db2.gz LKSLMFMARWPDEH-CYBMUJFWSA-N 1 0 333.392 0.946 20 5 ECBDRO O=C(CC[NH2+]CCN1C(=O)CCC1=O)Nc1ccccc1[N+](=O)[O-] ZINC000570711458 439443536 /nfs/dbraw/zinc/44/35/36/439443536.db2.gz VANKKNKQHNCRPZ-UHFFFAOYSA-N 1 0 334.332 0.662 20 5 ECBDRO O=[N+]([O-])c1cc(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c2c(c1)COCO2 ZINC000594025574 439508862 /nfs/dbraw/zinc/50/88/62/439508862.db2.gz JGEYWUIXHLTBSV-LSDHHAIUSA-N 1 0 335.360 0.712 20 5 ECBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594026647 439509874 /nfs/dbraw/zinc/50/98/74/439509874.db2.gz GKCOVFFLMNZURT-BYCMXARLSA-N 1 0 334.376 0.673 20 5 ECBDRO CN1CC[C@@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000583376793 439456822 /nfs/dbraw/zinc/45/68/22/439456822.db2.gz GHKUKAPIBHPOJD-OLZOCXBDSA-N 1 0 337.376 0.793 20 5 ECBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000609171024 439554176 /nfs/dbraw/zinc/55/41/76/439554176.db2.gz IMTMYLPLIQZGGY-LLVKDONJSA-N 1 0 337.380 0.251 20 5 ECBDRO C[NH+](C)[C@@H]1CCCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 ZINC000609508401 439573451 /nfs/dbraw/zinc/57/34/51/439573451.db2.gz UOKATADEBXGQGV-SNVBAGLBSA-N 1 0 328.394 0.773 20 5 ECBDRO [NH3+]CCCOCCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000599934594 439576635 /nfs/dbraw/zinc/57/66/35/439576635.db2.gz NSOMQYKMPAWYRM-UHFFFAOYSA-N 1 0 338.364 0.733 20 5 ECBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000599938521 439581318 /nfs/dbraw/zinc/58/13/18/439581318.db2.gz CKHOHOSNAYVOLF-ZIAGYGMSSA-N 1 0 337.351 0.944 20 5 ECBDRO O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000594747618 439601184 /nfs/dbraw/zinc/60/11/84/439601184.db2.gz CWNHEXIOTSDIIM-JTQLQIEISA-N 1 0 326.378 0.752 20 5 ECBDRO CCCC(=O)NC1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000610335926 439610518 /nfs/dbraw/zinc/61/05/18/439610518.db2.gz DUNIWQAPXXLNNN-CQSZACIVSA-N 1 0 339.396 0.533 20 5 ECBDRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000595119177 439655349 /nfs/dbraw/zinc/65/53/49/439655349.db2.gz OREAVSZJDDGGFA-MRVPVSSYSA-N 1 0 331.350 0.268 20 5 ECBDRO COc1c(F)cc(S(=O)(=O)N2CC3CC2(C[NH3+])C3)cc1[N+](=O)[O-] ZINC000595118018 439655408 /nfs/dbraw/zinc/65/54/08/439655408.db2.gz OCOKJRQNZDAPLV-UHFFFAOYSA-N 1 0 345.352 0.854 20 5 ECBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCC12CC(C1)C[NH2+]2 ZINC000595119995 439656345 /nfs/dbraw/zinc/65/63/45/439656345.db2.gz FJHZKVFGOBVKCR-UHFFFAOYSA-N 1 0 325.390 0.809 20 5 ECBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000600807558 439703882 /nfs/dbraw/zinc/70/38/82/439703882.db2.gz INXHYDQPGGAGJQ-AWEZNQCLSA-N 1 0 348.403 0.991 20 5 ECBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000600807347 439704554 /nfs/dbraw/zinc/70/45/54/439704554.db2.gz AZMKJIZLQIIXJL-LBPRGKRZSA-N 1 0 345.359 0.577 20 5 ECBDRO CN(C)C(=O)CN1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611699912 439722853 /nfs/dbraw/zinc/72/28/53/439722853.db2.gz JOZMSYZXMJXMPG-UHFFFAOYSA-N 1 0 344.375 0.748 20 5 ECBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000595229394 439676533 /nfs/dbraw/zinc/67/65/33/439676533.db2.gz WTBXVPAUTKJADV-GYSYKLTISA-N 1 0 334.376 0.909 20 5 ECBDRO C[C@@H]1CCN(C(=O)CN2c3cc([N+](=O)[O-])ccc3OCC2=O)C[C@@H]1[NH3+] ZINC000595228549 439676789 /nfs/dbraw/zinc/67/67/89/439676789.db2.gz CFEKMVUQTMPYSB-PWSUYJOCSA-N 1 0 348.359 0.516 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000595281336 439689247 /nfs/dbraw/zinc/68/92/47/439689247.db2.gz IYCWHHZGYOXCOC-VXGBXAGGSA-N 1 0 338.339 0.417 20 5 ECBDRO Cn1ccnc1[C@@H](NC[C@@H]1COCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000600709840 439693743 /nfs/dbraw/zinc/69/37/43/439693743.db2.gz KFGDQNQRDJIGEE-HIFRSBDPSA-N 1 0 331.376 0.996 20 5 ECBDRO CC[N@H+](CCO)CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000613579968 439759397 /nfs/dbraw/zinc/75/93/97/439759397.db2.gz DNGAMRMYMPKWNC-UHFFFAOYSA-N 1 0 325.365 0.770 20 5 ECBDRO CC(C)[C@](C)([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000289470582 320669052 /nfs/dbraw/zinc/66/90/52/320669052.db2.gz YZLVLGDYIBWWHW-WFASDCNBSA-N 1 0 325.365 0.824 20 5 ECBDRO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000330632894 320846130 /nfs/dbraw/zinc/84/61/30/320846130.db2.gz JAHYFCFHFCMABI-LLVKDONJSA-N 1 0 339.396 0.493 20 5 ECBDRO O=C1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C2CC2)N1 ZINC000342042545 321073144 /nfs/dbraw/zinc/07/31/44/321073144.db2.gz CYSSQSRZVJOBEQ-GDZNZVCISA-N 1 0 349.387 0.981 20 5 ECBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000345933596 321208636 /nfs/dbraw/zinc/20/86/36/321208636.db2.gz XSUCMRRGBJCHQE-NSHDSACASA-N 1 0 325.369 0.626 20 5 ECBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H](C)C1 ZINC000346164742 321217198 /nfs/dbraw/zinc/21/71/98/321217198.db2.gz QAWIUHAFRMWNSM-GUTXKFCHSA-N 1 0 348.403 0.945 20 5 ECBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)C[C@H]1[NH+]1CCCC1 ZINC000361620198 321617670 /nfs/dbraw/zinc/61/76/70/321617670.db2.gz DZVKVHUZPITYSR-VXGBXAGGSA-N 1 0 339.421 0.980 20 5 ECBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000367177629 321684267 /nfs/dbraw/zinc/68/42/67/321684267.db2.gz BSNLRVBVDMJURF-CABCVRRESA-N 1 0 343.343 0.593 20 5 ECBDRO CC(C)(C)OC(=O)N1CC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000497255850 321959896 /nfs/dbraw/zinc/95/98/96/321959896.db2.gz ZZWPWWMDNMZRBP-LBPRGKRZSA-N 1 0 341.368 0.361 20 5 ECBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](CO)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000562383066 322272052 /nfs/dbraw/zinc/27/20/52/322272052.db2.gz QDTHGGWMGUITQL-DOMZBBRYSA-N 1 0 337.376 0.907 20 5 ECBDRO C[S@@](=O)C1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000563002971 322292472 /nfs/dbraw/zinc/29/24/72/322292472.db2.gz MGZOHQLQOKZSBJ-KPWVOAKYSA-N 1 0 328.390 0.835 20 5 ECBDRO Cn1cc(C[C@H](CO)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000564086361 322361111 /nfs/dbraw/zinc/36/11/11/322361111.db2.gz XQXKYNGBEPNPLU-CYBMUJFWSA-N 1 0 347.375 0.850 20 5 ECBDRO CON1CCC([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000564858102 322400711 /nfs/dbraw/zinc/40/07/11/322400711.db2.gz TXMJYACPPOXBQG-AWEZNQCLSA-N 1 0 325.365 0.950 20 5 ECBDRO CON1CCC([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000564858117 322400902 /nfs/dbraw/zinc/40/09/02/322400902.db2.gz TXMJYACPPOXBQG-CQSZACIVSA-N 1 0 325.365 0.950 20 5 ECBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C[C@H](O)CN3CCOCC3)c2c1 ZINC000564869002 322402260 /nfs/dbraw/zinc/40/22/60/322402260.db2.gz MIQPZXCGOWIDMW-HNNXBMFYSA-N 1 0 348.403 0.901 20 5 ECBDRO CO[C@@H](CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(F)(F)F ZINC000565299159 322448334 /nfs/dbraw/zinc/44/83/34/322448334.db2.gz FPXKCLQMSOMFQZ-UWVGGRQHSA-N 1 0 326.275 0.709 20 5 ECBDRO CNc1ccc(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000567896569 322604863 /nfs/dbraw/zinc/60/48/63/322604863.db2.gz CGVRIOZTBVNYGY-ZDUSSCGKSA-N 1 0 333.392 0.756 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000568512361 322631028 /nfs/dbraw/zinc/63/10/28/322631028.db2.gz NWSBIQPOHQAMOI-ZJUUUORDSA-N 1 0 338.364 0.462 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@]2(CCO)CCOC2)c1 ZINC000569485840 322655268 /nfs/dbraw/zinc/65/52/68/322655268.db2.gz NAEAMXQWOINIQV-HOCLYGCPSA-N 1 0 340.376 0.713 20 5 ECBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000571300020 322716976 /nfs/dbraw/zinc/71/69/76/322716976.db2.gz UWRPWUAOGHZOIR-CHWSQXEVSA-N 1 0 333.348 0.048 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H](CO)Cc1ccncc1 ZINC000573564997 322763966 /nfs/dbraw/zinc/76/39/66/322763966.db2.gz PMWLRHTVVPGYTF-LSDHHAIUSA-N 1 0 347.371 0.923 20 5 ECBDRO [NH3+][C@@H]1C[C@@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CCN2C1=O ZINC000577077737 322824471 /nfs/dbraw/zinc/82/44/71/322824471.db2.gz OTDYXKOIPZGDRL-GHMZBOCLSA-N 1 0 331.332 0.480 20 5 ECBDRO COc1ccc(NC(=O)CC[NH+]2CC(C)(C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000577175144 322827281 /nfs/dbraw/zinc/82/72/81/322827281.db2.gz GXUOHSGNPLPDJZ-UHFFFAOYSA-N 1 0 336.348 0.739 20 5 ECBDRO O=C(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCc2ccccc21 ZINC000577503212 322837281 /nfs/dbraw/zinc/83/72/81/322837281.db2.gz MTMVYIWXAPXAIF-CQSZACIVSA-N 1 0 345.359 0.331 20 5 ECBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000580445006 322926129 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0.925 20 5 ECBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000619253681 546311941 /nfs/dbraw/zinc/31/19/41/546311941.db2.gz BZTWLCNZIKBFAL-INIZCTEOSA-N 1 0 347.375 1.000 20 5 ECBDRO CCS(=O)(=O)N(C)CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749678420 579340939 /nfs/dbraw/zinc/34/09/39/579340939.db2.gz RUBSSXBJPIXTPM-CQSZACIVSA-N 1 0 345.421 0.889 20 5 ECBDRO C[NH+](C)CCOCCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000753433598 579400969 /nfs/dbraw/zinc/40/09/69/579400969.db2.gz MWTRCSORIPQTKO-UHFFFAOYSA-N 1 0 335.364 0.639 20 5 ECBDRO C[NH+](C)C[C@H]1CN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CCO1 ZINC000736759491 578449931 /nfs/dbraw/zinc/44/99/31/578449931.db2.gz SLUBPAKORKLBQD-NSHDSACASA-N 1 0 333.352 0.542 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCS(=O)(=O)C2)c1 ZINC000746286059 579835467 /nfs/dbraw/zinc/83/54/67/579835467.db2.gz DZAVTUGSRZPATO-PWSUYJOCSA-N 1 0 330.362 0.111 20 5 ECBDRO CNc1ccc(C(=O)N2CCN(C)CC[N@H+](C)CC2)cc1[N+](=O)[O-] 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LHQVNRBUIWQAOO-JSGCOSHPSA-N 1 0 343.405 0.642 20 5 ECBDRO CN1CCN(C(=O)CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819062983 587466382 /nfs/dbraw/zinc/46/63/82/587466382.db2.gz VFXUYDRHMSZCQJ-HNNXBMFYSA-N 1 0 336.392 0.382 20 5 ECBDRO CO[C@H](C[NH3+])Cc1nc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)no1 ZINC000823258207 587712808 /nfs/dbraw/zinc/71/28/08/587712808.db2.gz ADEWIGMDVSROPK-JTQLQIEISA-N 1 0 345.319 0.742 20 5 ECBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000824297903 587866386 /nfs/dbraw/zinc/86/63/86/587866386.db2.gz KCYJMOAMPUXFHI-UONOGXRCSA-N 1 0 337.351 0.944 20 5 ECBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825516950 587947809 /nfs/dbraw/zinc/94/78/09/587947809.db2.gz HHDQWRMXVCIDJH-RBSFLKMASA-N 1 0 335.360 0.608 20 5 ECBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848293827 589286914 /nfs/dbraw/zinc/28/69/14/589286914.db2.gz AKRKGFPCRUNVRB-GARJFASQSA-N 1 0 337.380 0.800 20 5 ECBDRO [NH3+]CCN(Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@H](O)CO ZINC000852753966 589510312 /nfs/dbraw/zinc/51/03/12/589510312.db2.gz WIAANZMOHWFMAX-JTQLQIEISA-N 1 0 348.197 0.471 20 5 ECBDRO [NH3+]C[C@@H]1CC(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)=NO1 ZINC000852861076 589519084 /nfs/dbraw/zinc/51/90/84/589519084.db2.gz OBAFYMSMSCHWJH-ZDUSSCGKSA-N 1 0 333.348 0.347 20 5 ECBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCOC3(C[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000854014928 589568568 /nfs/dbraw/zinc/56/85/68/589568568.db2.gz FGJJYTCWRHZSOL-UHFFFAOYSA-N 1 0 336.304 0.626 20 5 ECBDRO COC(=O)Nc1ccc(S(=O)(=O)N(C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000858639751 589763047 /nfs/dbraw/zinc/76/30/47/589763047.db2.gz GSEYIIISUCXIKX-MRVPVSSYSA-N 1 0 346.365 0.741 20 5 ECBDRO C[C@]1(C(F)(F)F)CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000879504594 590316430 /nfs/dbraw/zinc/31/64/30/590316430.db2.gz IWKOSKMRMUYRNA-GHMZBOCLSA-N 1 0 338.286 0.805 20 5 ECBDRO O=C1COC[C@]2(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)COCCN12 ZINC000877731718 590480248 /nfs/dbraw/zinc/48/02/48/590480248.db2.gz AGWYJJCHKXPDIV-INIZCTEOSA-N 1 0 335.360 0.355 20 5 ECBDRO COC(=O)CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CCOCC1 ZINC000878152502 590501872 /nfs/dbraw/zinc/50/18/72/590501872.db2.gz IGMAJPORGIKGOL-UHFFFAOYSA-N 1 0 326.353 0.872 20 5 ECBDRO Cn1ncc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC[C@@H]3C2)n1 ZINC000946589153 611356427 /nfs/dbraw/zinc/35/64/27/611356427.db2.gz ISNNDQGLRZTZTR-AYRXBEOTSA-N 1 0 348.407 0.151 20 5 ECBDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C[C@@]2(C)C1 ZINC000913288973 609661944 /nfs/dbraw/zinc/66/19/44/609661944.db2.gz RGCSBGXBJLMGKH-IYBDPMFKSA-N 1 0 334.376 0.557 20 5 ECBDRO COCCNC(=O)[C@@H]1CC[C@@H](C)N(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000921053531 609697467 /nfs/dbraw/zinc/69/74/67/609697467.db2.gz AZCKXYUSFUEBCM-VXGBXAGGSA-N 1 0 325.369 0.612 20 5 ECBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC000913684999 609812338 /nfs/dbraw/zinc/81/23/38/609812338.db2.gz WRSAMPFREQYPGX-KBPBESRZSA-N 1 0 342.359 0.672 20 5 ECBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCN1CC[NH2+]CC1 ZINC000237533830 609981697 /nfs/dbraw/zinc/98/16/97/609981697.db2.gz VLCXXEHICKKVRF-UHFFFAOYSA-N 1 0 328.394 0.087 20 5 ECBDRO CN1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@@H](CO)C1 ZINC000912749061 610001051 /nfs/dbraw/zinc/00/10/51/610001051.db2.gz NVLYNAZTRCILHI-OAHLLOKOSA-N 1 0 336.392 0.922 20 5 ECBDRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCO1 ZINC000842484356 611313733 /nfs/dbraw/zinc/31/37/33/611313733.db2.gz DBBWZYWTBLXVGW-JTQLQIEISA-N 1 0 349.796 0.987 20 5 ECBDRO CC1CC[NH+](CC(=O)N(C)C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC000955106390 612905422 /nfs/dbraw/zinc/90/54/22/612905422.db2.gz AMCMUOPUKGNUBV-ZIAGYGMSSA-N 1 0 338.408 0.053 20 5 ECBDRO CCOC(=O)c1ccnc(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000377997512 719472998 /nfs/dbraw/zinc/47/29/98/719472998.db2.gz YQYJYTLZKOWCJE-NWDGAFQWSA-N 1 0 336.348 0.686 20 5 ECBDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001164730022 720517648 /nfs/dbraw/zinc/51/76/48/720517648.db2.gz PWYUGYVZNGJUHH-LLVKDONJSA-N 1 0 331.380 0.967 20 5 ECBDRO CCN(CCn1cccn1)c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001167059606 731663467 /nfs/dbraw/zinc/66/34/67/731663467.db2.gz ZXUMWJNVBLWAQO-UHFFFAOYSA-N 1 0 346.395 0.517 20 5 ECBDRO O=c1ccc2c([nH]1)CCN(c1ncc([N+](=O)[O-])c(C3C[NH2+]C3)n1)CC2 ZINC001167166563 733024495 /nfs/dbraw/zinc/02/44/95/733024495.db2.gz GLBZZHZSLOFUPZ-UHFFFAOYSA-N 1 0 342.359 0.777 20 5 ECBDRO Cc1nnc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)s1 ZINC000997769108 743799792 /nfs/dbraw/zinc/79/97/92/743799792.db2.gz NQSJAFHAQFUVDY-VXGBXAGGSA-N 1 0 339.421 0.840 20 5 ECBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]Cc2cnns2)CC1 ZINC000997771025 743800884 /nfs/dbraw/zinc/80/08/84/743800884.db2.gz FKZVIMKXGINJIC-VXGBXAGGSA-N 1 0 325.394 0.532 20 5 ECBDRO CCn1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1 ZINC000997771935 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CCC[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@@H+]1CCOC ZINC000347443674 437890867 /nfs/dbraw/zinc/89/08/67/437890867.db2.gz FNGPGEJOAYWZHK-LBPRGKRZSA-N 1 0 340.384 0.146 20 5 ECBDRO Cn1cc([C@@H]2CN(C(=O)COc3cccc([N+](=O)[O-])c3)C[C@H]2[NH3+])cn1 ZINC000424222860 437905563 /nfs/dbraw/zinc/90/55/63/437905563.db2.gz FZHGSVLOPTVRGF-LSDHHAIUSA-N 1 0 345.359 0.660 20 5 ECBDRO NS(=O)(=O)[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000357394797 437977277 /nfs/dbraw/zinc/97/72/77/437977277.db2.gz XHFGPBONDMZNDS-LBPRGKRZSA-N 1 0 342.377 0.286 20 5 ECBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCC[NH+]1CCCC1 ZINC000357570152 438014333 /nfs/dbraw/zinc/01/43/33/438014333.db2.gz IWNSJLWQHJTMKC-UHFFFAOYSA-N 1 0 348.359 0.532 20 5 ECBDRO NC(=O)c1ccnc(N2CC[NH+](C[C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000357526893 438004833 /nfs/dbraw/zinc/00/48/33/438004833.db2.gz FJAVDPBLJOTDBI-LLVKDONJSA-N 1 0 335.364 0.247 20 5 ECBDRO CN(C)CC[NH+]1CCC(CNC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000357908308 438097593 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Cc1cc(C(=O)NCC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC000423511503 438682260 /nfs/dbraw/zinc/68/22/60/438682260.db2.gz TXHSNCQUEHDBHD-VXGBXAGGSA-N 1 0 334.376 0.842 20 5 ECBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H](O)[C@H](OC)C2)c([N+](=O)[O-])c1 ZINC000451761092 438713495 /nfs/dbraw/zinc/71/34/95/438713495.db2.gz OPTFPDFYPQGOSK-ZIAGYGMSSA-N 1 0 339.348 0.624 20 5 ECBDRO COc1cc(C[NH2+]CC2CN(S(C)(=O)=O)C2)c([N+](=O)[O-])cc1O ZINC000495159037 438721036 /nfs/dbraw/zinc/72/10/36/438721036.db2.gz OHMOGGLPSOYWKL-UHFFFAOYSA-N 1 0 345.377 0.290 20 5 ECBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548086257 438722625 /nfs/dbraw/zinc/72/26/25/438722625.db2.gz ZQZAOFGIBDQPDI-UHFFFAOYSA-N 1 0 336.396 0.282 20 5 ECBDRO CN(C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CC[NH2+]C1 ZINC000575174057 438741386 /nfs/dbraw/zinc/74/13/86/438741386.db2.gz OBODPURWZKKNQJ-QWRGUYRKSA-N 1 0 336.348 0.613 20 5 ECBDRO CC[NH2+]CCCNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000576849228 438802014 /nfs/dbraw/zinc/80/20/14/438802014.db2.gz PPUZYSSYTMPHNJ-UHFFFAOYSA-N 1 0 336.396 0.821 20 5 ECBDRO C[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000456207256 438762776 /nfs/dbraw/zinc/76/27/76/438762776.db2.gz GCNRYEXDYLDJJY-BETUJISGSA-N 1 0 336.392 0.920 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000595608413 438835139 /nfs/dbraw/zinc/83/51/39/438835139.db2.gz PGPQHHXDPDWIKS-KGLIPLIRSA-N 1 0 347.375 0.948 20 5 ECBDRO Cn1nccc1[C@H](CO)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000514939012 438838890 /nfs/dbraw/zinc/83/88/90/438838890.db2.gz JQLGOWOEJJWSTR-RYUDHWBXSA-N 1 0 336.348 0.391 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000588777711 438839454 /nfs/dbraw/zinc/83/94/54/438839454.db2.gz XQRIVRKWKVZWBH-ZDUSSCGKSA-N 1 0 334.376 0.730 20 5 ECBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000588860101 438844139 /nfs/dbraw/zinc/84/41/39/438844139.db2.gz DMOOYPYFYOUJDT-NEPJUHHUSA-N 1 0 345.359 0.752 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(O)(CO)CC1 ZINC000595731900 438852045 /nfs/dbraw/zinc/85/20/45/438852045.db2.gz IGUBJESXIIOGTB-GFCCVEGCSA-N 1 0 326.349 0.154 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000590045249 438898788 /nfs/dbraw/zinc/89/87/88/438898788.db2.gz OEUOIEUGGWZDJM-NJZAAPMLSA-N 1 0 346.387 0.876 20 5 ECBDRO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000577608751 438856897 /nfs/dbraw/zinc/85/68/97/438856897.db2.gz AORQMWLQYUQISP-UHFFFAOYSA-N 1 0 349.391 0.642 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC(CO)(CO)C1 ZINC000595799520 438862551 /nfs/dbraw/zinc/86/25/51/438862551.db2.gz MEAVZTUGYXMOBY-UHFFFAOYSA-N 1 0 337.376 0.909 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC(CO)(CO)C2)c1 ZINC000595801388 438864590 /nfs/dbraw/zinc/86/45/90/438864590.db2.gz WLUMGADHKOFJHT-ZDUSSCGKSA-N 1 0 326.349 0.011 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](CO)c2ccc(F)cc2F)c1 ZINC000595866432 438873034 /nfs/dbraw/zinc/87/30/34/438873034.db2.gz GYQRDPRTFFKULT-BXUZGUMPSA-N 1 0 342.302 0.754 20 5 ECBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC000595884023 438876900 /nfs/dbraw/zinc/87/69/00/438876900.db2.gz AFJDJYMJXAWGJM-OAHLLOKOSA-N 1 0 334.376 0.341 20 5 ECBDRO NC(=O)c1ccnc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000589569681 438879055 /nfs/dbraw/zinc/87/90/55/438879055.db2.gz NLUJDOLLUJSQKZ-RYUDHWBXSA-N 1 0 335.364 0.124 20 5 ECBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590582792 438934976 /nfs/dbraw/zinc/93/49/76/438934976.db2.gz UQYKOEONBZNNIH-ZWNOBZJWSA-N 1 0 340.405 0.773 20 5 ECBDRO NS(=O)(=O)c1ccc(NCC[N@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000596222955 438942593 /nfs/dbraw/zinc/94/25/93/438942593.db2.gz KMOOEGXJJFOKOW-UHFFFAOYSA-N 1 0 326.378 0.916 20 5 ECBDRO CN(CCC[NH3+])C(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000595983934 438908829 /nfs/dbraw/zinc/90/88/29/438908829.db2.gz DUZCVTORLJUNSK-UHFFFAOYSA-N 1 0 334.376 0.893 20 5 ECBDRO O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000601980554 438995095 /nfs/dbraw/zinc/99/50/95/438995095.db2.gz NMVRERDFCMPLNB-BETUJISGSA-N 1 0 348.407 0.657 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cccc1[N+](=O)[O-] ZINC000591415938 439011022 /nfs/dbraw/zinc/01/10/22/439011022.db2.gz YBWNGMPJTQMEAZ-TZMCWYRMSA-N 1 0 346.387 0.730 20 5 ECBDRO O=C(NC[C@@H]1CCCC[NH2+]1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000591358626 439007570 /nfs/dbraw/zinc/00/75/70/439007570.db2.gz NPPDNUCIUUDZFF-ZDUSSCGKSA-N 1 0 348.407 0.964 20 5 ECBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)n1 ZINC000597573163 439130425 /nfs/dbraw/zinc/13/04/25/439130425.db2.gz BWUOMPAZAQOBRU-CQSZACIVSA-N 1 0 325.369 0.340 20 5 ECBDRO COc1ccc(OCCN2CC[N@H+](C)C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000602905985 439156489 /nfs/dbraw/zinc/15/64/89/439156489.db2.gz WNCMSRKZOXQMHU-GFCCVEGCSA-N 1 0 325.365 0.591 20 5 ECBDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000597680061 439158654 /nfs/dbraw/zinc/15/86/54/439158654.db2.gz UZMCUNUIDZKBPT-NSHDSACASA-N 1 0 349.391 0.897 20 5 ECBDRO [NH3+][C@@H]1C[C@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)CCN2C1=O ZINC000581022680 439160469 /nfs/dbraw/zinc/16/04/69/439160469.db2.gz DRGRRVZGVGIBLK-VHSXEESVSA-N 1 0 328.332 0.286 20 5 ECBDRO CC1([NH3+])CCN(C(=O)CN2c3cc([N+](=O)[O-])ccc3OCC2=O)CC1 ZINC000592330673 439206118 /nfs/dbraw/zinc/20/61/18/439206118.db2.gz ATJLATIQQBHQLV-UHFFFAOYSA-N 1 0 348.359 0.660 20 5 ECBDRO CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NC[C@@H](C)[NH3+] ZINC000592333068 439206687 /nfs/dbraw/zinc/20/66/87/439206687.db2.gz HNTVHZKBZCMOAE-BDAKNGLRSA-N 1 0 344.393 0.503 20 5 ECBDRO Cn1nccc1[C@@H](CO)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000592432290 439227691 /nfs/dbraw/zinc/22/76/91/439227691.db2.gz BSANRQWAEDXXJF-TZMCWYRMSA-N 1 0 336.348 0.391 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c([N+](=O)[O-])n1 ZINC000592381483 439215973 /nfs/dbraw/zinc/21/59/73/439215973.db2.gz PRVDRYACUPJATG-NXEZZACHSA-N 1 0 329.382 0.184 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N(C)CC2C[NH+](C)C2)ccc1[N+](=O)[O-] ZINC000598162049 439232409 /nfs/dbraw/zinc/23/24/09/439232409.db2.gz HNLBGKXIWVJQLA-UHFFFAOYSA-N 1 0 334.376 0.653 20 5 ECBDRO CC1(C)C[NH2+]CCN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000592473767 439235991 /nfs/dbraw/zinc/23/59/91/439235991.db2.gz MWHJEFPRTBHLNP-UHFFFAOYSA-N 1 0 336.348 0.946 20 5 ECBDRO CN(CCN1CC[NH2+]CC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000592472074 439236536 /nfs/dbraw/zinc/23/65/36/439236536.db2.gz IALJDCBTLMDIFP-INIZCTEOSA-N 1 0 347.419 0.537 20 5 ECBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000598261008 439245177 /nfs/dbraw/zinc/24/51/77/439245177.db2.gz CLAHPHRCCROESX-ZDUSSCGKSA-N 1 0 336.392 0.993 20 5 ECBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000598452230 439264695 /nfs/dbraw/zinc/26/46/95/439264695.db2.gz HRJWKVZXBNWOBU-GFCCVEGCSA-N 1 0 334.376 0.848 20 5 ECBDRO COc1ccccc1OCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000582279890 439312224 /nfs/dbraw/zinc/31/22/24/439312224.db2.gz VBCPQOIGIUHIKF-ZDUSSCGKSA-N 1 0 336.348 0.829 20 5 ECBDRO Cc1c(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000569246456 439317645 /nfs/dbraw/zinc/31/76/45/439317645.db2.gz CUBSAFHUIOJJJR-SFYZADRCSA-N 1 0 344.393 0.406 20 5 ECBDRO O=C(CN1C(=O)NC2(CC[NH2+]CC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000582418651 439331517 /nfs/dbraw/zinc/33/15/17/439331517.db2.gz JHMJSYXKIUZGBW-UHFFFAOYSA-N 1 0 332.316 0.452 20 5 ECBDRO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC12CC[NH2+]CC2 ZINC000598664592 439297891 /nfs/dbraw/zinc/29/78/91/439297891.db2.gz HABKKZIDWQPRQH-ZDUSSCGKSA-N 1 0 347.375 0.975 20 5 ECBDRO C[C@H]1C[C@H](NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000598663892 439298527 /nfs/dbraw/zinc/29/85/27/439298527.db2.gz BITYEFZHKBBFGR-CMPLNLGQSA-N 1 0 335.364 0.973 20 5 ECBDRO CCn1cc(S(=O)(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)c([N+](=O)[O-])n1 ZINC000598727576 439307118 /nfs/dbraw/zinc/30/71/18/439307118.db2.gz XUXOCPOSCQIIHI-CABZTGNLSA-N 1 0 329.382 0.313 20 5 ECBDRO Cc1sc(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc1[N+](=O)[O-] ZINC000593235406 439354964 /nfs/dbraw/zinc/35/49/64/439354964.db2.gz UJRLTNJIULRQSI-UHFFFAOYSA-N 1 0 340.405 0.811 20 5 ECBDRO CCc1ccc(S(=O)(=O)NCC2([NH3+])CCOCC2)cc1[N+](=O)[O-] ZINC000599102542 439356709 /nfs/dbraw/zinc/35/67/09/439356709.db2.gz MBCGIGQSGMTUFN-UHFFFAOYSA-N 1 0 343.405 0.943 20 5 ECBDRO C[NH2+]CCOCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000599106691 439358025 /nfs/dbraw/zinc/35/80/25/439358025.db2.gz HIYRBFYMUBEYEH-UHFFFAOYSA-N 1 0 333.366 0.118 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H](CO)Cc2ccncc2)c1 ZINC000582785395 439380680 /nfs/dbraw/zinc/38/06/80/439380680.db2.gz DXQKMQGHRXRFIS-GDBMZVCRSA-N 1 0 347.371 0.923 20 5 ECBDRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000599245127 439396577 /nfs/dbraw/zinc/39/65/77/439396577.db2.gz QJUXIWKXVZRZHR-VHSXEESVSA-N 1 0 331.398 0.432 20 5 ECBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599247627 439399343 /nfs/dbraw/zinc/39/93/43/439399343.db2.gz GKTAYEGELBQTPV-NSHDSACASA-N 1 0 345.425 0.823 20 5 ECBDRO Cc1cc(S(=O)(=O)N2CCN(C)C[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000570519511 439426843 /nfs/dbraw/zinc/42/68/43/439426843.db2.gz GQUAPUNFYMVRAL-LLVKDONJSA-N 1 0 328.394 0.167 20 5 ECBDRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599310619 439427122 /nfs/dbraw/zinc/42/71/22/439427122.db2.gz XIZZPGQPCHINHM-SNVBAGLBSA-N 1 0 333.414 0.727 20 5 ECBDRO O=[N+]([O-])c1ccc(-c2nnc(CN3CC[N@@H+]4C[C@H](O)C[C@H]4C3)o2)cc1 ZINC000594025604 439510111 /nfs/dbraw/zinc/51/01/11/439510111.db2.gz OPPVICJJCNROJA-UONOGXRCSA-N 1 0 345.359 0.896 20 5 ECBDRO CN1CC[C@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000583376795 439456487 /nfs/dbraw/zinc/45/64/87/439456487.db2.gz GHKUKAPIBHPOJD-STQMWFEESA-N 1 0 337.376 0.793 20 5 ECBDRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3ccnc(N)c3[N+](=O)[O-])C2)CC1 ZINC000594287439 439536124 /nfs/dbraw/zinc/53/61/24/439536124.db2.gz AUMXQCYMSVKQIX-NSHDSACASA-N 1 0 348.407 0.470 20 5 ECBDRO CNc1nccc(C(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000594333116 439542805 /nfs/dbraw/zinc/54/28/05/439542805.db2.gz UNSYNVAAPQXCNS-QWRGUYRKSA-N 1 0 339.421 1.149 20 5 ECBDRO Cn1nc2c(c1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CCCC2 ZINC000584049087 439544021 /nfs/dbraw/zinc/54/40/21/439544021.db2.gz YDPDQRYFKRRCAU-GFCCVEGCSA-N 1 0 334.380 0.554 20 5 ECBDRO C[C@@H](C(=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000594350731 439545129 /nfs/dbraw/zinc/54/51/29/439545129.db2.gz QBJMWNGIROAEQR-NSHDSACASA-N 1 0 346.391 1.406 20 5 ECBDRO COc1ccc(NC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000599896765 439571958 /nfs/dbraw/zinc/57/19/58/439571958.db2.gz SHFIGNVIGOVHDL-ONGXEEELSA-N 1 0 336.348 0.799 20 5 ECBDRO COc1ccc(CNC(=O)NC2(C[NH3+])CCOCC2)cc1[N+](=O)[O-] ZINC000599906395 439573633 /nfs/dbraw/zinc/57/36/33/439573633.db2.gz FFDUOQVPQZQKSR-UHFFFAOYSA-N 1 0 338.364 0.911 20 5 ECBDRO C[NH2+]CCOCCNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000599907362 439574007 /nfs/dbraw/zinc/57/40/07/439574007.db2.gz MSOKWAGIHDNDJW-UHFFFAOYSA-N 1 0 326.353 0.639 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000599939246 439580170 /nfs/dbraw/zinc/58/01/70/439580170.db2.gz UCDIXCIOGBDUEL-QWHCGFSZSA-N 1 0 335.360 0.885 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2ccc3c(c2)OCO3)c1 ZINC000584389329 439583709 /nfs/dbraw/zinc/58/37/09/439583709.db2.gz WHXYHAZXAYZWGB-ZDUSSCGKSA-N 1 0 334.332 0.713 20 5 ECBDRO CN(C)c1ncc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])n1C ZINC000584586279 439603355 /nfs/dbraw/zinc/60/33/55/439603355.db2.gz SFSFQHZWGNZKMC-ZDUSSCGKSA-N 1 0 349.391 0.924 20 5 ECBDRO O=C(CC[NH2+][C@H](CO)CN1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000573444953 439646373 /nfs/dbraw/zinc/64/63/73/439646373.db2.gz ITMQLDVDWDIMCK-ZDUSSCGKSA-N 1 0 336.392 0.970 20 5 ECBDRO CNc1nccc(C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)c1[N+](=O)[O-] ZINC000573813226 439667996 /nfs/dbraw/zinc/66/79/96/439667996.db2.gz BGXBRKHCJTWPKV-NSHDSACASA-N 1 0 337.380 0.872 20 5 ECBDRO C[N@@H+]1CCCN(CCCNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000610521771 439623510 /nfs/dbraw/zinc/62/35/10/439623510.db2.gz IOGLBARAXVZHQD-UHFFFAOYSA-N 1 0 335.408 0.934 20 5 ECBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000600808649 439704387 /nfs/dbraw/zinc/70/43/87/439704387.db2.gz NYVBLYCVQWYDQG-HNNXBMFYSA-N 1 0 345.359 0.577 20 5 ECBDRO C[NH2+]C1(CNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600824687 439707186 /nfs/dbraw/zinc/70/71/86/439707186.db2.gz MNQXMALYIHITLK-UHFFFAOYSA-N 1 0 334.376 0.973 20 5 ECBDRO C[NH+]1CCN(C(C)(C)CNC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000611598674 439710188 /nfs/dbraw/zinc/71/01/88/439710188.db2.gz DGDVIXRDLDNKNW-UHFFFAOYSA-N 1 0 336.396 0.559 20 5 ECBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000600537122 439675244 /nfs/dbraw/zinc/67/52/44/439675244.db2.gz XWLAOJIYLJQDSP-SNVBAGLBSA-N 1 0 345.302 0.993 20 5 ECBDRO COC(=O)c1cc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc([N+](=O)[O-])c1 ZINC000600544309 439676259 /nfs/dbraw/zinc/67/62/59/439676259.db2.gz DHBQDEGSFMMMRP-CYBMUJFWSA-N 1 0 337.332 0.178 20 5 ECBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000611185090 439677544 /nfs/dbraw/zinc/67/75/44/439677544.db2.gz UVUYQIQWXMAGOK-HUUCEWRRSA-N 1 0 336.392 0.288 20 5 ECBDRO CC(C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(=O)N1CCOCC1 ZINC000180053725 320524022 /nfs/dbraw/zinc/52/40/22/320524022.db2.gz QJMOUGRWHBZMBO-ZDUSSCGKSA-N 1 0 325.369 0.264 20 5 ECBDRO C[NH+](C)CCOCCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000345113003 321175065 /nfs/dbraw/zinc/17/50/65/321175065.db2.gz NUMATEYUFYLJRY-UHFFFAOYSA-N 1 0 331.394 0.988 20 5 ECBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000347380878 321238115 /nfs/dbraw/zinc/23/81/15/321238115.db2.gz AMRUDDOZYCTWFV-LBPRGKRZSA-N 1 0 339.396 0.901 20 5 ECBDRO CCn1cc(S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C)c([N+](=O)[O-])n1 ZINC000353214583 321385572 /nfs/dbraw/zinc/38/55/72/321385572.db2.gz GEIGLHXFRGURJH-LBPRGKRZSA-N 1 0 333.414 0.853 20 5 ECBDRO COC(=O)COc1ccc(C[NH2+]CCc2ncn(C)n2)cc1[N+](=O)[O-] ZINC000353755946 321412633 /nfs/dbraw/zinc/41/26/33/321412633.db2.gz DKTCNSKZYXRSSX-UHFFFAOYSA-N 1 0 349.347 0.607 20 5 ECBDRO COC(=O)COc1ccc(C[NH2+]CCC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000353759071 321413001 /nfs/dbraw/zinc/41/30/01/321413001.db2.gz NWGLRNIZMQNOPZ-UHFFFAOYSA-N 1 0 339.348 0.715 20 5 ECBDRO C[NH+](C)CCOC1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000353800080 321417251 /nfs/dbraw/zinc/41/72/51/321417251.db2.gz FGSYQKKVPCOCLT-UHFFFAOYSA-N 1 0 339.396 0.751 20 5 ECBDRO C[C@H](CN1CCCC1=O)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000555338750 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348.403 0.983 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000419762707 209200383 /nfs/dbraw/zinc/20/03/83/209200383.db2.gz SOWZEVCEYFGHDB-GXFFZTMASA-N 1 0 334.376 0.634 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cccc1[N+](=O)[O-] ZINC000419756122 209197705 /nfs/dbraw/zinc/19/77/05/209197705.db2.gz FQIODKGETHAIKK-OCCSQVGLSA-N 1 0 332.360 0.340 20 5 ECBDRO C[C@H](C[NH3+])N(C)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000262613174 245067614 /nfs/dbraw/zinc/06/76/14/245067614.db2.gz FNIOFDSZBGMUKA-MRVPVSSYSA-N 1 0 326.378 0.591 20 5 ECBDRO C[N@H+](CCO)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000264325102 246351768 /nfs/dbraw/zinc/35/17/68/246351768.db2.gz ANKWDPLFZVHJNE-UHFFFAOYSA-N 1 0 343.405 0.672 20 5 ECBDRO [NH3+]CC[C@@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(F)F ZINC000449607850 211285777 /nfs/dbraw/zinc/28/57/77/211285777.db2.gz COGYTYIKPGJQHL-LLVKDONJSA-N 1 0 344.318 0.813 20 5 ECBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000449590849 211285724 /nfs/dbraw/zinc/28/57/24/211285724.db2.gz PNIXXNVWJWMVSN-ZJUUUORDSA-N 1 0 344.393 0.115 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H](CO)[C@@H]2CCCO2)c1 ZINC000447922338 211218468 /nfs/dbraw/zinc/21/84/68/211218468.db2.gz OSGNIPQQAREULX-SNPRPXQTSA-N 1 0 326.349 0.464 20 5 ECBDRO O=C(C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)N1CCOCC1 ZINC000447589303 211195881 /nfs/dbraw/zinc/19/58/81/211195881.db2.gz XMTCNCIGTQRJFI-STQMWFEESA-N 1 0 337.380 0.723 20 5 ECBDRO CNS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447595797 211195915 /nfs/dbraw/zinc/19/59/15/211195915.db2.gz ATXFCLNSLAINGL-MNOVXSKESA-N 1 0 331.398 0.414 20 5 ECBDRO COC[C@](C)([NH3+])CNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000357158404 299529349 /nfs/dbraw/zinc/52/93/49/299529349.db2.gz HCKUKVKPAPEMBR-CYBMUJFWSA-N 1 0 346.409 0.621 20 5 ECBDRO CN(C)C(=O)[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 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ECBDRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246282720 165128555 /nfs/dbraw/zinc/12/85/55/165128555.db2.gz NTLHIWBYVTUBJW-OCCSQVGLSA-N 1 0 334.380 0.895 20 5 ECBDRO Cn1c(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000261684497 165227411 /nfs/dbraw/zinc/22/74/11/165227411.db2.gz AUGGEGMQKSKZQX-SNVBAGLBSA-N 1 0 349.313 0.499 20 5 ECBDRO CC(C)([NH3+])CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000261758823 165240091 /nfs/dbraw/zinc/24/00/91/165240091.db2.gz CSVCHVHSZGHBRM-UHFFFAOYSA-N 1 0 342.421 0.638 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000261814875 165247400 /nfs/dbraw/zinc/24/74/00/165247400.db2.gz GUDUXEPFTGNBID-CQSZACIVSA-N 1 0 341.389 0.978 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[C@H]1CC[NH2+]C1 ZINC000261858057 165254020 /nfs/dbraw/zinc/25/40/20/165254020.db2.gz FKFNBZBYNNUDDL-SNVBAGLBSA-N 1 0 329.378 0.881 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261872450 165255790 /nfs/dbraw/zinc/25/57/90/165255790.db2.gz LNQQRKCJTHCAAJ-QWRGUYRKSA-N 1 0 341.389 0.833 20 5 ECBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@H]1CCC[NH2+]C1 ZINC000261871793 165255843 /nfs/dbraw/zinc/25/58/43/165255843.db2.gz OYKZHIWUPLISRG-JTQLQIEISA-N 1 0 334.332 0.188 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261888570 165258127 /nfs/dbraw/zinc/25/81/27/165258127.db2.gz NKLFGCPUEFAGCY-JQWIXIFHSA-N 1 0 341.389 0.976 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261888568 165258269 /nfs/dbraw/zinc/25/82/69/165258269.db2.gz NKLFGCPUEFAGCY-CMPLNLGQSA-N 1 0 341.389 0.976 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000262541298 165360902 /nfs/dbraw/zinc/36/09/02/165360902.db2.gz RDIBCMNHZIIJFP-LLVKDONJSA-N 1 0 329.378 0.961 20 5 ECBDRO C[C@@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1C[NH2+]C1 ZINC000262601787 165366514 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348.359 0.990 20 5 ECBDRO COC(=O)CCCN1CCC([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000271772820 263328799 /nfs/dbraw/zinc/32/87/99/263328799.db2.gz FRKBIEMBVAKJKY-UHFFFAOYSA-N 1 0 339.396 0.799 20 5 ECBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000272273842 263342438 /nfs/dbraw/zinc/34/24/38/263342438.db2.gz NYBWZUJLBPRFTO-QWRGUYRKSA-N 1 0 330.348 0.985 20 5 ECBDRO CC(C)[NH+]1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000272570024 263352777 /nfs/dbraw/zinc/35/27/77/263352777.db2.gz TVAJUNYTGIZKHM-UHFFFAOYSA-N 1 0 328.394 0.773 20 5 ECBDRO COCCC[N@H+](CCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000275398174 263596178 /nfs/dbraw/zinc/59/61/78/263596178.db2.gz DNVNRYBPAUFLJU-CQSZACIVSA-N 1 0 328.365 0.665 20 5 ECBDRO CS(=O)(=O)NCC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000285451059 264313268 /nfs/dbraw/zinc/31/32/68/264313268.db2.gz MFOCPRSVRLFJNF-UHFFFAOYSA-N 1 0 331.398 0.053 20 5 ECBDRO CC(C)c1n[nH]c(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)c1[N+](=O)[O-] 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O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000346177900 298233280 /nfs/dbraw/zinc/23/32/80/298233280.db2.gz AKOKSKAZLIZSTK-DGCLKSJQSA-N 1 0 348.363 0.902 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000346717686 298327525 /nfs/dbraw/zinc/32/75/25/298327525.db2.gz GMNWSQIOELAIJA-ZDUSSCGKSA-N 1 0 339.396 0.669 20 5 ECBDRO CCn1cc(S(=O)(=O)NC[C@H]([NH3+])c2ccccc2)c([N+](=O)[O-])n1 ZINC000353213089 299023206 /nfs/dbraw/zinc/02/32/06/299023206.db2.gz BTAKYJBNCMLSDM-NSHDSACASA-N 1 0 339.377 0.790 20 5 ECBDRO CCc1nn(C)c(NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000360960258 300046226 /nfs/dbraw/zinc/04/62/26/300046226.db2.gz JUIJPRYYNSRTHU-NSHDSACASA-N 1 0 338.412 0.890 20 5 ECBDRO NS(=O)(=O)N1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000362801241 300222620 /nfs/dbraw/zinc/22/26/20/300222620.db2.gz CXZYJEURVROWMU-UHFFFAOYSA-N 1 0 328.394 0.349 20 5 ECBDRO C[C@@H]1C[NH+](CC2CCN(C(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])CC2)C[C@@H](C)O1 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C[C@H]1C[NH+](CCCNc2nccc(C(N)=O)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000290483973 437492576 /nfs/dbraw/zinc/49/25/76/437492576.db2.gz IEKYQTYFCBPWND-QWRGUYRKSA-N 1 0 337.380 1.000 20 5 ECBDRO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCN1CCO ZINC000188724863 437567339 /nfs/dbraw/zinc/56/73/39/437567339.db2.gz JLQQHXKKEUOPSF-NSHDSACASA-N 1 0 329.378 0.282 20 5 ECBDRO C[C@@]1(C(N)=O)CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000361558229 437672111 /nfs/dbraw/zinc/67/21/11/437672111.db2.gz VNOHXFMSENEADZ-CZUORRHYSA-N 1 0 332.360 0.897 20 5 ECBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000344055513 437725201 /nfs/dbraw/zinc/72/52/01/437725201.db2.gz LIMXTMHGYJOKRD-NWDGAFQWSA-N 1 0 338.412 0.895 20 5 ECBDRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000363220412 437775659 /nfs/dbraw/zinc/77/56/59/437775659.db2.gz ZVIXSUCARAKCJX-HNNXBMFYSA-N 1 0 348.403 0.731 20 5 ECBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000415319474 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CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)CC1C[NH+](C)C1 ZINC000598162895 439234091 /nfs/dbraw/zinc/23/40/91/439234091.db2.gz KRVQFHDNBUZHNR-LBPRGKRZSA-N 1 0 338.412 0.847 20 5 ECBDRO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCC[NH2+]1 ZINC000592466637 439234174 /nfs/dbraw/zinc/23/41/74/439234174.db2.gz UKFCDRDPHPIUHS-CYBMUJFWSA-N 1 0 349.391 0.652 20 5 ECBDRO COC(=O)[C@H]1C[NH2+]CCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000592493496 439240874 /nfs/dbraw/zinc/24/08/74/439240874.db2.gz YSRDAAVHTOXPTP-CYBMUJFWSA-N 1 0 336.348 0.370 20 5 ECBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCC[NH2+]C1CC1 ZINC000592567647 439257316 /nfs/dbraw/zinc/25/73/16/439257316.db2.gz SWKYOZLTPYTDMN-LLVKDONJSA-N 1 0 334.376 0.971 20 5 ECBDRO C[N@@H+]1CC[C@@H](CNC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598895294 439324063 /nfs/dbraw/zinc/32/40/63/439324063.db2.gz YIFQTFDVQJLZPH-NSHDSACASA-N 1 0 335.364 0.784 20 5 ECBDRO COCC1(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CC[NH2+]CC1 ZINC000569487473 439339085 /nfs/dbraw/zinc/33/90/85/439339085.db2.gz ICUYBABFQXNHKP-UHFFFAOYSA-N 1 0 334.376 0.891 20 5 ECBDRO C[NH+](C)CCN1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000593051431 439335043 /nfs/dbraw/zinc/33/50/43/439335043.db2.gz JWJJRMNGKLLHES-UHFFFAOYSA-N 1 0 336.392 0.679 20 5 ECBDRO C[NH+](C)C[C@H]1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000598596034 439285238 /nfs/dbraw/zinc/28/52/38/439285238.db2.gz NSCYQCNYGJFFCN-GFCCVEGCSA-N 1 0 336.396 0.609 20 5 ECBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000592870444 439294825 /nfs/dbraw/zinc/29/48/25/439294825.db2.gz DZTHZMUWZDEWMC-SNVBAGLBSA-N 1 0 338.339 0.926 20 5 ECBDRO C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000599110442 439361572 /nfs/dbraw/zinc/36/15/72/439361572.db2.gz HYZSVLMAJALTEF-DTWKUNHWSA-N 1 0 343.361 0.395 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)n1 ZINC000599100739 439356829 /nfs/dbraw/zinc/35/68/29/439356829.db2.gz MWLOFQULJLJSOD-QWRGUYRKSA-N 1 0 343.409 0.481 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1([NH3+])CCOCC1 ZINC000599101843 439356855 /nfs/dbraw/zinc/35/68/55/439356855.db2.gz IMAPPYGRWPVIHJ-UHFFFAOYSA-N 1 0 345.377 0.390 20 5 ECBDRO NC(=O)c1cc(N2CCC([NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000599102851 439356883 /nfs/dbraw/zinc/35/68/83/439356883.db2.gz FUBIURBFZGWUNP-UHFFFAOYSA-N 1 0 334.376 0.995 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1(C[NH3+])CCOCC1 ZINC000599103398 439357510 /nfs/dbraw/zinc/35/75/10/439357510.db2.gz OGWJSDRLEOLDLS-UHFFFAOYSA-N 1 0 345.377 0.390 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)nc1 ZINC000593531231 439394728 /nfs/dbraw/zinc/39/47/28/439394728.db2.gz PKVMKJMACIHDLM-NWDGAFQWSA-N 1 0 326.378 0.895 20 5 ECBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599250182 439399431 /nfs/dbraw/zinc/39/94/31/439399431.db2.gz AUAJYJBWHDLVCT-NSHDSACASA-N 1 0 345.425 0.681 20 5 ECBDRO CCc1ccc(S(=O)(=O)N2CCN(C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000582848123 439388540 /nfs/dbraw/zinc/38/85/40/439388540.db2.gz GYRPBJQLWKWEGV-GFCCVEGCSA-N 1 0 342.421 0.421 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H](O)C2CCOCC2)c1 ZINC000570396908 439416616 /nfs/dbraw/zinc/41/66/16/439416616.db2.gz XUBOTPBKMKYIBK-HOCLYGCPSA-N 1 0 340.376 0.712 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H](CCO)c2ccccc2)c1 ZINC000583143344 439426371 /nfs/dbraw/zinc/42/63/71/439426371.db2.gz HOCLNOGUUKYSBW-GOEBONIOSA-N 1 0 334.376 0.908 20 5 ECBDRO C[N@@H+]1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000583218499 439436861 /nfs/dbraw/zinc/43/68/61/439436861.db2.gz ATQYADIISLWWLW-UHFFFAOYSA-N 1 0 334.376 0.877 20 5 ECBDRO C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C(=O)NCC[NH+](C)C ZINC000583403064 439459416 /nfs/dbraw/zinc/45/94/16/439459416.db2.gz JIIFRIGLLHKYDT-MRVPVSSYSA-N 1 0 341.343 0.112 20 5 ECBDRO COC(=O)c1cc(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)cc([N+](=O)[O-])c1 ZINC000593902403 439490044 /nfs/dbraw/zinc/49/00/44/439490044.db2.gz SPSCSFZAELDGEL-BONVTDFDSA-N 1 0 335.316 0.556 20 5 ECBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000583882943 439523951 /nfs/dbraw/zinc/52/39/51/439523951.db2.gz YURLXKRDMRHPLN-LBPRGKRZSA-N 1 0 349.391 0.780 20 5 ECBDRO Cc1ccc(NC(=O)C(=O)NC2(C[NH3+])CCOCC2)cc1[N+](=O)[O-] ZINC000599897111 439572371 /nfs/dbraw/zinc/57/23/71/439572371.db2.gz GOUHYQDRJQCSFU-UHFFFAOYSA-N 1 0 336.348 0.466 20 5 ECBDRO CCc1ccc(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1[N+](=O)[O-] ZINC000584302983 439575285 /nfs/dbraw/zinc/57/52/85/439575285.db2.gz UITTWRHONBOWCQ-QWHCGFSZSA-N 1 0 332.360 0.541 20 5 ECBDRO CNc1ccc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000599936803 439579354 /nfs/dbraw/zinc/57/93/54/439579354.db2.gz CANBKGUETCHHSZ-CHWSQXEVSA-N 1 0 334.376 0.918 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)ccc1[N+](=O)[O-] ZINC000599988393 439589981 /nfs/dbraw/zinc/58/99/81/439589981.db2.gz BIJHAEZRGBPDLT-VIKVFOODSA-N 1 0 346.387 0.651 20 5 ECBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000599989361 439590655 /nfs/dbraw/zinc/59/06/55/439590655.db2.gz YGDAEANDVHPQRK-RABLLNBGSA-N 1 0 346.387 0.732 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000595121245 439655749 /nfs/dbraw/zinc/65/57/49/439655749.db2.gz LZQBCBGMZHEYJQ-NXEZZACHSA-N 1 0 333.341 0.663 20 5 ECBDRO CN(CC(C)(C)[NH3+])S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000595115914 439655795 /nfs/dbraw/zinc/65/57/95/439655795.db2.gz MXTWJQFEAOVCPE-UHFFFAOYSA-N 1 0 345.377 0.724 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC3CC2(C[NH3+])C3)c([N+](=O)[O-])c1 ZINC000595117052 439656235 /nfs/dbraw/zinc/65/62/35/439656235.db2.gz DSQWQMORCJFGGT-UHFFFAOYSA-N 1 0 327.362 0.715 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000595151565 439662430 /nfs/dbraw/zinc/66/24/30/439662430.db2.gz GSGYYZAZJZIKQV-UHFFFAOYSA-N 1 0 336.348 0.562 20 5 ECBDRO CN1CC(=O)N(CC[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000595376689 439716774 /nfs/dbraw/zinc/71/67/74/439716774.db2.gz RXOFHUNDIFXOQS-LLVKDONJSA-N 1 0 348.363 0.370 20 5 ECBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000600529228 439674439 /nfs/dbraw/zinc/67/44/39/439674439.db2.gz WWJOWQNYTDDZNV-GFCCVEGCSA-N 1 0 325.390 0.870 20 5 ECBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000600529148 439675233 /nfs/dbraw/zinc/67/52/33/439675233.db2.gz CIKVGMIHSIVFDI-CQSZACIVSA-N 1 0 345.359 0.577 20 5 ECBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000611184939 439677905 /nfs/dbraw/zinc/67/79/05/439677905.db2.gz ITSSTJOMRAHEOV-OAHLLOKOSA-N 1 0 336.392 0.553 20 5 ECBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000611234473 439683546 /nfs/dbraw/zinc/68/35/46/439683546.db2.gz OMWJMZNFBQSLRY-GFCCVEGCSA-N 1 0 337.380 0.655 20 5 ECBDRO CN1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)[C@H](C[NH3+])C1 ZINC000162483568 320512142 /nfs/dbraw/zinc/51/21/42/320512142.db2.gz IFEBNNMRBRACQU-OAHLLOKOSA-N 1 0 344.375 0.495 20 5 ECBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000273388477 320561841 /nfs/dbraw/zinc/56/18/41/320561841.db2.gz HQHJPQPUPRPVQL-BPLDGKMQSA-N 1 0 346.387 0.910 20 5 ECBDRO CS(=O)(=O)c1cccc(NCCCN2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000322468014 320717738 /nfs/dbraw/zinc/71/77/38/320717738.db2.gz JZNGEFGNHZNXRJ-UHFFFAOYSA-N 1 0 342.421 0.706 20 5 ECBDRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000325130244 320721387 /nfs/dbraw/zinc/72/13/87/320721387.db2.gz JMPDVRPYPCLJGE-SREVYHEPSA-N 1 0 332.360 0.498 20 5 ECBDRO CCn1cc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])n1 ZINC000330455964 320826382 /nfs/dbraw/zinc/82/63/82/320826382.db2.gz OMTVUBMKORNSCY-MNOVXSKESA-N 1 0 345.425 0.962 20 5 ECBDRO C[N@@H+]1CC[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)[C@H]1c1ccccc1 ZINC000340378297 321037630 /nfs/dbraw/zinc/03/76/30/321037630.db2.gz QBGXONAKQIUAOM-TZMCWYRMSA-N 1 0 330.348 0.748 20 5 ECBDRO C[NH+](C)CC(=O)N1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344185831 321142656 /nfs/dbraw/zinc/14/26/56/321142656.db2.gz UKNWAPRGUFUNGK-UHFFFAOYSA-N 1 0 338.339 0.580 20 5 ECBDRO C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000346144010 321215744 /nfs/dbraw/zinc/21/57/44/321215744.db2.gz UCNFVSGUXCFNSX-MNOVXSKESA-N 1 0 338.364 0.859 20 5 ECBDRO Cc1c(NC(=O)C(=O)NCCNc2cc[nH+]cc2)cccc1[N+](=O)[O-] ZINC000347850225 321254252 /nfs/dbraw/zinc/25/42/52/321254252.db2.gz FXRJXQRSYDJNEM-UHFFFAOYSA-N 1 0 343.343 0.887 20 5 ECBDRO Cc1sc(C(=O)N(C)CC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000353051174 321379760 /nfs/dbraw/zinc/37/97/60/321379760.db2.gz WHBREHYAIBQITE-UHFFFAOYSA-N 1 0 326.378 0.469 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])c([N+](=O)[O-])n1 ZINC000353216164 321385647 /nfs/dbraw/zinc/38/56/47/321385647.db2.gz JUTJEVMSBVXZBH-UWVGGRQHSA-N 1 0 331.398 0.559 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC1(CCO)CC[NH+](C)CC1 ZINC000354144650 321447496 /nfs/dbraw/zinc/44/74/96/321447496.db2.gz UZLFWWGKAVHFIA-UHFFFAOYSA-N 1 0 325.369 0.063 20 5 ECBDRO CC[NH2+]CCCNC(=O)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000562821485 322286378 /nfs/dbraw/zinc/28/63/78/322286378.db2.gz XOFXTMNLILDIJU-UHFFFAOYSA-N 1 0 338.364 0.335 20 5 ECBDRO COC[C@@]1(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC[NH2+]C1 ZINC000562977813 322290504 /nfs/dbraw/zinc/29/05/04/322290504.db2.gz LNKHWJNMQPZNPC-OAHLLOKOSA-N 1 0 337.380 0.581 20 5 ECBDRO C[C@@H](C[S@@](C)=O)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000563014604 322292727 /nfs/dbraw/zinc/29/27/27/322292727.db2.gz ZDNBFDWILSTPNM-WVDJIFEKSA-N 1 0 334.419 0.725 20 5 ECBDRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000563946474 322354854 /nfs/dbraw/zinc/35/48/54/322354854.db2.gz QHAVXQICCFIMAP-LBPRGKRZSA-N 1 0 334.376 0.798 20 5 ECBDRO [NH3+][C@H]1C[C@@H]2CN(c3nccc4cc([N+](=O)[O-])ccc43)CCN2C1=O ZINC000568532498 322632087 /nfs/dbraw/zinc/63/20/87/322632087.db2.gz GYCFPJMJBURYTH-OCCSQVGLSA-N 1 0 327.344 0.891 20 5 ECBDRO CO[C@@H]1COCC[C@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000568858002 322635344 /nfs/dbraw/zinc/63/53/44/322635344.db2.gz YPSGHHKHXRTHLH-DUVNUKRYSA-N 1 0 340.376 0.976 20 5 ECBDRO CS(=O)(=O)NCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000569568119 322657434 /nfs/dbraw/zinc/65/74/34/322657434.db2.gz DZPVGMILLGVBNT-UHFFFAOYSA-N 1 0 330.366 0.062 20 5 ECBDRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3cccnc3[N+](=O)[O-])C[C@H]21 ZINC000571164898 322712222 /nfs/dbraw/zinc/71/22/22/322712222.db2.gz HNNSLCGXQASLJC-HBNTYKKESA-N 1 0 326.378 0.738 20 5 ECBDRO Cc1cc(C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)ccc1[N+](=O)[O-] ZINC000574569008 322781438 /nfs/dbraw/zinc/78/14/38/322781438.db2.gz JEDHNXVETUDSPD-UHFFFAOYSA-N 1 0 331.336 0.683 20 5 ECBDRO Cc1c(C(=O)NC[C@@](C)(O)C[NH+](C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000152604368 533790537 /nfs/dbraw/zinc/79/05/37/533790537.db2.gz YLBVGSMQSCQKEK-CQSZACIVSA-N 1 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O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000783910593 578747060 /nfs/dbraw/zinc/74/70/60/578747060.db2.gz HXJRJOSCFYKHHK-QWRGUYRKSA-N 1 0 330.362 0.111 20 5 ECBDRO COC(=O)[C@@H](O)C1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776592068 579285362 /nfs/dbraw/zinc/28/53/62/579285362.db2.gz XXVRIRHTJVZWPF-GJZGRUSLSA-N 1 0 338.360 0.874 20 5 ECBDRO C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000762714745 579546684 /nfs/dbraw/zinc/54/66/84/579546684.db2.gz CWBMDXUNSWRRJL-HOCLYGCPSA-N 1 0 348.359 0.271 20 5 ECBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000742254306 579784538 /nfs/dbraw/zinc/78/45/38/579784538.db2.gz JBEHKUREVPBFOS-JKSUJKDBSA-N 1 0 348.403 0.990 20 5 ECBDRO O=C(NCCN1CC[NH2+]CC1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841856144 589002826 /nfs/dbraw/zinc/00/28/26/589002826.db2.gz ORRSAFWCQQNZHA-UHFFFAOYSA-N 1 0 341.799 0.953 20 5 ECBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCN(CC[S@](C)=O)CC1 ZINC000807982567 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325.365 0.255 20 5 ECBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)CC2 ZINC000843492934 589071955 /nfs/dbraw/zinc/07/19/55/589071955.db2.gz AOOSWICZXBOUEX-GFCCVEGCSA-N 1 0 332.360 0.661 20 5 ECBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000808173582 587147651 /nfs/dbraw/zinc/14/76/51/587147651.db2.gz BXQRDLOMTMOPIB-QMMMGPOBSA-N 1 0 325.350 0.252 20 5 ECBDRO CNC(=O)[C@H]1CC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000817371335 587340105 /nfs/dbraw/zinc/34/01/05/587340105.db2.gz VNWILQMDSADPCV-LBPRGKRZSA-N 1 0 330.348 0.879 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]C[C@@H](O)C2CC2)cc1 ZINC000818975702 587462879 /nfs/dbraw/zinc/46/28/79/587462879.db2.gz LJJSDHJAVJTCHV-CYBMUJFWSA-N 1 0 329.378 0.234 20 5 ECBDRO CC(C)(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)NS(C)(=O)=O ZINC000819045937 587465555 /nfs/dbraw/zinc/46/55/55/587465555.db2.gz LCHYRGFFXZSXGI-LBPRGKRZSA-N 1 0 331.394 0.546 20 5 ECBDRO CS(=O)(=O)N1CC[C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819187113 587471858 /nfs/dbraw/zinc/47/18/58/587471858.db2.gz AUIWASALJBUHLH-RISCZKNCSA-N 1 0 343.405 0.499 20 5 ECBDRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)O1 ZINC000819208881 587472158 /nfs/dbraw/zinc/47/21/58/587472158.db2.gz STDYKXLDBFULDE-ILXRZTDVSA-N 1 0 337.376 0.854 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2COC3(CCCCC3)O2)c1 ZINC000819209715 587472288 /nfs/dbraw/zinc/47/22/88/587472288.db2.gz KGSDCIHWBNRLHN-KBPBESRZSA-N 1 0 340.380 0.818 20 5 ECBDRO COCC[N@@H+]1CCCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000821691320 587623751 /nfs/dbraw/zinc/62/37/51/587623751.db2.gz PZXWJQOFYIAVEC-UHFFFAOYSA-N 1 0 348.367 0.328 20 5 ECBDRO C[NH+](C)CCN1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000844760778 589119842 /nfs/dbraw/zinc/11/98/42/589119842.db2.gz VEXAGEWKCVWKFL-YVMONPNESA-N 1 0 346.387 0.840 20 5 ECBDRO Cc1cc(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c(N)c([N+](=O)[O-])c1 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ZINC000424011385 437876388 /nfs/dbraw/zinc/87/63/88/437876388.db2.gz YRCYDYAYAHVUEW-OAHLLOKOSA-N 1 0 342.355 0.930 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2[C@@H](CO)CC[C@H]2CO)c1 ZINC000347276896 437865633 /nfs/dbraw/zinc/86/56/33/437865633.db2.gz OGYNNQXMHYZWMR-MJBXVCDLSA-N 1 0 326.349 0.152 20 5 ECBDRO Cn1c(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000341853209 437910855 /nfs/dbraw/zinc/91/08/55/437910855.db2.gz QPNKTWFNMDLNIU-NSHDSACASA-N 1 0 337.380 0.251 20 5 ECBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000371502097 437945534 /nfs/dbraw/zinc/94/55/34/437945534.db2.gz ZSLQVIPIEYFMRJ-RYUDHWBXSA-N 1 0 349.343 0.917 20 5 ECBDRO COC[C@]1(CNC(=O)CCn2cc([N+](=O)[O-])nc2C)CCC[NH2+]1 ZINC000357278343 437952257 /nfs/dbraw/zinc/95/22/57/437952257.db2.gz ZMMNIHHOHCFGEB-CQSZACIVSA-N 1 0 325.369 0.375 20 5 ECBDRO CC[NH+]1CCN([C@H]2CCN(c3cccc(C(N)=O)c3[N+](=O)[O-])C2)CC1 ZINC000342217553 437981982 /nfs/dbraw/zinc/98/19/82/437981982.db2.gz FQKMEGVOAWXYAY-ZDUSSCGKSA-N 1 0 347.419 0.910 20 5 ECBDRO C[C@H](O)C[N@H+](C)C1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000342216352 437982189 /nfs/dbraw/zinc/98/21/89/437982189.db2.gz CZCYIPSRRZHFNK-NSHDSACASA-N 1 0 336.392 0.975 20 5 ECBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000372054927 438028676 /nfs/dbraw/zinc/02/86/76/438028676.db2.gz IIJSISUNMWYBHG-AWEZNQCLSA-N 1 0 347.375 0.368 20 5 ECBDRO NC(=O)c1ccc(SCC(=O)NCC2([NH3+])CCC2)c([N+](=O)[O-])c1 ZINC000342583392 438035551 /nfs/dbraw/zinc/03/55/51/438035551.db2.gz IHTTWIRSEHIKLY-UHFFFAOYSA-N 1 0 338.389 0.783 20 5 ECBDRO CCCc1[nH]nc(C(=O)Nc2ccn(CC[NH+](C)C)n2)c1[N+](=O)[O-] ZINC000348679038 438085508 /nfs/dbraw/zinc/08/55/08/438085508.db2.gz YUXLEGGNUIWIPW-UHFFFAOYSA-N 1 0 335.368 1.281 20 5 ECBDRO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000372279621 438061721 /nfs/dbraw/zinc/06/17/21/438061721.db2.gz AIUDNJIFJAITLR-AAEUAGOBSA-N 1 0 326.353 0.834 20 5 ECBDRO O=C(CC[N@@H+]1CC[C@@H]2OCC(=O)N[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000366759639 438121224 /nfs/dbraw/zinc/12/12/24/438121224.db2.gz RASIDOGIYZYLIW-OCCSQVGLSA-N 1 0 348.359 0.513 20 5 ECBDRO O=C(NCCN1CC[NH2+]CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418301202 438126694 /nfs/dbraw/zinc/12/66/94/438126694.db2.gz REGYSLJVRUOQBZ-UHFFFAOYSA-N 1 0 333.392 0.568 20 5 ECBDRO COc1c(F)cc(S(=O)(=O)N2CCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000366937982 438144659 /nfs/dbraw/zinc/14/46/59/438144659.db2.gz UCTQHCFLQWWLJO-QMMMGPOBSA-N 1 0 349.340 0.091 20 5 ECBDRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000358215238 438184722 /nfs/dbraw/zinc/18/47/22/438184722.db2.gz RQZVCHBBJWAZBA-CYBMUJFWSA-N 1 0 329.378 0.081 20 5 ECBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000358224657 438187386 /nfs/dbraw/zinc/18/73/86/438187386.db2.gz CCKZMHLXMRKHEH-WBMJQRKESA-N 1 0 336.392 0.968 20 5 ECBDRO Cc1c(C(=O)N[C@@H](C)CC[NH3+])cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000349933962 438188814 /nfs/dbraw/zinc/18/88/14/438188814.db2.gz GOYPNWWOENJGIE-ZETCQYMHSA-N 1 0 330.366 0.018 20 5 ECBDRO C[C@H](CC[NH3+])NC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418533175 438157780 /nfs/dbraw/zinc/15/77/80/438157780.db2.gz UZIOUGFNDAFKTI-GFCCVEGCSA-N 1 0 349.391 0.800 20 5 ECBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000367069667 438160380 /nfs/dbraw/zinc/16/03/80/438160380.db2.gz XTRRQFBVZPKVPN-ONGXEEELSA-N 1 0 347.368 0.924 20 5 ECBDRO [NH3+]C[C@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000358133575 438163103 /nfs/dbraw/zinc/16/31/03/438163103.db2.gz ZGPSZXZEDFGARO-LBPRGKRZSA-N 1 0 336.348 0.552 20 5 ECBDRO COc1cc(C(=O)NCCOCC[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000349723515 438173379 /nfs/dbraw/zinc/17/33/79/438173379.db2.gz ORZITKNTAATBDO-UHFFFAOYSA-N 1 0 341.364 0.920 20 5 ECBDRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000418869185 438229176 /nfs/dbraw/zinc/22/91/76/438229176.db2.gz OPIVZYUQXGTNLU-ZDUSSCGKSA-N 1 0 336.392 0.743 20 5 ECBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000418917025 438247668 /nfs/dbraw/zinc/24/76/68/438247668.db2.gz ANXVGJQWJGPDCZ-HIFRSBDPSA-N 1 0 348.403 0.887 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000367994074 438276071 /nfs/dbraw/zinc/27/60/71/438276071.db2.gz PDVKTVIPIONITN-CYBMUJFWSA-N 1 0 334.376 0.723 20 5 ECBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2C(=O)NC[C@@H]2C1 ZINC000368059133 438280862 /nfs/dbraw/zinc/28/08/62/438280862.db2.gz XUBDWBJQBHDFQT-DGCLKSJQSA-N 1 0 332.360 0.910 20 5 ECBDRO CC1(C)CN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000418921237 438249214 /nfs/dbraw/zinc/24/92/14/438249214.db2.gz IVEKRBWDXQFPFU-UHFFFAOYSA-N 1 0 334.376 0.464 20 5 ECBDRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000418926226 438250579 /nfs/dbraw/zinc/25/05/79/438250579.db2.gz UEPMEPREOIGMQC-ZDUSSCGKSA-N 1 0 336.392 0.887 20 5 ECBDRO C[C@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000419133270 438339542 /nfs/dbraw/zinc/33/95/42/438339542.db2.gz FTWPUHBQRANAGU-GMXVVIOVSA-N 1 0 334.376 0.968 20 5 ECBDRO O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419038211 438301157 /nfs/dbraw/zinc/30/11/57/438301157.db2.gz JIFCIUQHPZTTQT-CYBMUJFWSA-N 1 0 334.376 0.512 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000368803655 438380511 /nfs/dbraw/zinc/38/05/11/438380511.db2.gz BFGIYIDTNTXKFE-UHFFFAOYSA-N 1 0 334.376 0.749 20 5 ECBDRO CN(C(=O)CN1CCN([C@H]2CC[NH2+]C2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000352503893 438431760 /nfs/dbraw/zinc/43/17/60/438431760.db2.gz LFIMUPWRLVNLSX-INIZCTEOSA-N 1 0 347.419 0.537 20 5 ECBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000390239014 438432479 /nfs/dbraw/zinc/43/24/79/438432479.db2.gz RCEHDOWWUIKSRM-SNVBAGLBSA-N 1 0 349.796 0.905 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2ccc3c(c2)OCCO3)c1 ZINC000392292382 438443032 /nfs/dbraw/zinc/44/30/32/438443032.db2.gz NAGXFLBGHOWTOM-CQSZACIVSA-N 1 0 348.359 0.756 20 5 ECBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1C[NH2+]CCN1C ZINC000394098596 438444716 /nfs/dbraw/zinc/44/47/16/438444716.db2.gz ZGJJXFPMGXTYRY-LLVKDONJSA-N 1 0 328.394 0.085 20 5 ECBDRO CCO[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C[C@H]1C[NH3+] ZINC000405784849 438470771 /nfs/dbraw/zinc/47/07/71/438470771.db2.gz NGFWSINTMGZGRE-DGCLKSJQSA-N 1 0 343.405 0.888 20 5 ECBDRO C[N@H+](CCCCCO)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421008238 438459033 /nfs/dbraw/zinc/45/90/33/438459033.db2.gz IAUYVSSIQUYWOY-UHFFFAOYSA-N 1 0 345.421 0.968 20 5 ECBDRO O=C(N[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1)C1CCC1 ZINC000369825419 438519639 /nfs/dbraw/zinc/51/96/39/438519639.db2.gz IRWYYHBDAWDKBJ-TZMCWYRMSA-N 1 0 337.380 0.143 20 5 ECBDRO COc1c(F)cc(S(=O)(=O)NC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000440865113 438570338 /nfs/dbraw/zinc/57/03/38/438570338.db2.gz TUSNWJHKPGTQGE-MRVPVSSYSA-N 1 0 333.341 0.630 20 5 ECBDRO Cn1cc([C@@H]2[C@H](CNc3ncc([N+](=O)[O-])c(N)n3)CCC[N@@H+]2C)cn1 ZINC000370180373 438557730 /nfs/dbraw/zinc/55/77/30/438557730.db2.gz CCDUTXPUFQHXKF-GWCFXTLKSA-N 1 0 346.395 0.617 20 5 ECBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)/C=C\c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000493111001 438605582 /nfs/dbraw/zinc/60/55/82/438605582.db2.gz AZJSMRDOZNCGDV-NTQVKLLNSA-N 1 0 330.344 0.378 20 5 ECBDRO C[C@H]1CN(C(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC[NH2+]1 ZINC000423107529 438637408 /nfs/dbraw/zinc/63/74/08/438637408.db2.gz SHMIGPZJLDPACN-LBPRGKRZSA-N 1 0 346.387 0.906 20 5 ECBDRO C[C@@H]1[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@@H+]1Cc1ccccc1 ZINC000494029170 438666773 /nfs/dbraw/zinc/66/67/73/438666773.db2.gz VGWLREWDSUZQHB-OCCSQVGLSA-N 1 0 344.375 0.966 20 5 ECBDRO O=C(CC[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000451631775 438702013 /nfs/dbraw/zinc/70/20/13/438702013.db2.gz JGRDWDFUSXXXGY-TXEJJXNPSA-N 1 0 332.316 0.128 20 5 ECBDRO 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NC(=O)c1cc(N2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000596053287 438918147 /nfs/dbraw/zinc/91/81/47/438918147.db2.gz MUCWYMRRBZIYBG-ZDUSSCGKSA-N 1 0 334.376 0.995 20 5 ECBDRO NC(=O)c1cc(N2CC[NH+](C[C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000596152305 438933416 /nfs/dbraw/zinc/93/34/16/438933416.db2.gz OVQJTGUWBACYGR-GFCCVEGCSA-N 1 0 334.376 0.852 20 5 ECBDRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000565365070 438947543 /nfs/dbraw/zinc/94/75/43/438947543.db2.gz WGKMFRIFHUSCQD-CQSZACIVSA-N 1 0 347.375 0.133 20 5 ECBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000517404564 438965910 /nfs/dbraw/zinc/96/59/10/438965910.db2.gz PWISSGAMNVLYBM-SNVBAGLBSA-N 1 0 337.332 0.774 20 5 ECBDRO Cc1ccc(NC(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000591299625 438998638 /nfs/dbraw/zinc/99/86/38/438998638.db2.gz OOTJXTCESGWXKT-GWCFXTLKSA-N 1 0 336.348 0.416 20 5 ECBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 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COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000592381687 439215616 /nfs/dbraw/zinc/21/56/16/439215616.db2.gz XPXBKMVFQCIKNG-UWVGGRQHSA-N 1 0 329.378 0.961 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000592381477 439215977 /nfs/dbraw/zinc/21/59/77/439215977.db2.gz PHZDNXOUOMQWJD-WDEREUQCSA-N 1 0 341.389 0.976 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000598539008 439275932 /nfs/dbraw/zinc/27/59/32/439275932.db2.gz AOHMRGMQDLDHND-UHFFFAOYSA-N 1 0 348.403 0.995 20 5 ECBDRO O=[N+]([O-])c1c(-n2cnc(CCCO)c2)ncnc1N1CCOCC1 ZINC000598594300 439281879 /nfs/dbraw/zinc/28/18/79/439281879.db2.gz GVIFTNNRBPYLPE-UHFFFAOYSA-N 1 0 334.336 0.332 20 5 ECBDRO COCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCO[C@H]1C ZINC000489446075 439228269 /nfs/dbraw/zinc/22/82/69/439228269.db2.gz GBMCYFQONVHCAS-JSGCOSHPSA-N 1 0 325.365 0.882 20 5 ECBDRO COCC[N@H+](C)CCCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000527201895 439259235 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339.327 0.614 20 5 ECBDRO C[N@@H+]1CCC[C@@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000604198265 439300823 /nfs/dbraw/zinc/30/08/23/439300823.db2.gz FAGBOLFZGAGMPH-CYBMUJFWSA-N 1 0 334.376 0.925 20 5 ECBDRO COCC[NH2+]CCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598715072 439306420 /nfs/dbraw/zinc/30/64/20/439306420.db2.gz MIYQHWZORNELCM-UHFFFAOYSA-N 1 0 331.394 0.726 20 5 ECBDRO Cc1cc(S(=O)(=O)N(C)CCOCC[NH3+])c(C)cc1[N+](=O)[O-] ZINC000599110355 439362443 /nfs/dbraw/zinc/36/24/43/439362443.db2.gz RXHYXJBVNOOOTN-UHFFFAOYSA-N 1 0 331.394 0.807 20 5 ECBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])C[C@H]21 ZINC000599084259 439353120 /nfs/dbraw/zinc/35/31/20/439353120.db2.gz QTHQXYGXXBNNIP-IWIIMEHWSA-N 1 0 326.378 0.238 20 5 ECBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC2([NH3+])CCOCC2)c1C ZINC000599103332 439357325 /nfs/dbraw/zinc/35/73/25/439357325.db2.gz RKMGVVHRUWNTKN-UHFFFAOYSA-N 1 0 343.405 0.998 20 5 ECBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC1(C[NH3+])CCOCC1 ZINC000599104206 439358803 /nfs/dbraw/zinc/35/88/03/439358803.db2.gz QQWKPWANXAACMK-UHFFFAOYSA-N 1 0 343.405 0.998 20 5 ECBDRO COC(=O)c1cc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc(C)c1[N+](=O)[O-] ZINC000593505961 439390151 /nfs/dbraw/zinc/39/01/51/439390151.db2.gz ZBKVGPGXXOATPN-CYBMUJFWSA-N 1 0 335.360 0.945 20 5 ECBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCCO1 ZINC000570161007 439398467 /nfs/dbraw/zinc/39/84/67/439398467.db2.gz CHQLBZMPNNTNBR-CQSZACIVSA-N 1 0 345.359 0.970 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)nc1 ZINC000593541130 439399489 /nfs/dbraw/zinc/39/94/89/439399489.db2.gz NYPBMYTWLNUDDP-GFCCVEGCSA-N 1 0 326.378 0.849 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)n1 ZINC000599312908 439427642 /nfs/dbraw/zinc/42/76/42/439427642.db2.gz YTOSRNHGTFVQRY-LBPRGKRZSA-N 1 0 329.382 0.045 20 5 ECBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599314251 439428611 /nfs/dbraw/zinc/42/86/11/439428611.db2.gz FZXFHUNALQOSSV-WDEREUQCSA-N 1 0 343.409 0.576 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)n1 ZINC000599313310 439429202 /nfs/dbraw/zinc/42/92/02/439429202.db2.gz IBZITYGHZMMTIJ-CYBMUJFWSA-N 1 0 343.409 0.435 20 5 ECBDRO [NH3+][C@@H]1C[C@H]2CN(c3ccc4cc([N+](=O)[O-])ccc4n3)CCN2C1=O ZINC000583575997 439483832 /nfs/dbraw/zinc/48/38/32/439483832.db2.gz YWYJFIQRPASGNG-QWHCGFSZSA-N 1 0 327.344 0.891 20 5 ECBDRO CCC(C)(C)[NH+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000594020836 439505718 /nfs/dbraw/zinc/50/57/18/439505718.db2.gz MICCDECLVVOMMT-AWEZNQCLSA-N 1 0 325.413 0.958 20 5 ECBDRO NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000608909220 439548201 /nfs/dbraw/zinc/54/82/01/439548201.db2.gz CAGVGWFBMXZNIQ-LLVKDONJSA-N 1 0 340.405 0.917 20 5 ECBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000572137226 439560978 /nfs/dbraw/zinc/56/09/78/439560978.db2.gz MOVRYACAWXGLMR-YPMHNXCESA-N 1 0 334.376 0.797 20 5 ECBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000599900285 439574312 /nfs/dbraw/zinc/57/43/12/439574312.db2.gz VJLNBBITDIDTIU-NSHDSACASA-N 1 0 336.348 0.255 20 5 ECBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000599903844 439574382 /nfs/dbraw/zinc/57/43/82/439574382.db2.gz OFVYTPUIRRRVJS-SSDOTTSWSA-N 1 0 344.274 0.613 20 5 ECBDRO Cc1n[nH]c(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000609571778 439577292 /nfs/dbraw/zinc/57/72/92/439577292.db2.gz JKQHNNDACNPOCC-LLVKDONJSA-N 1 0 336.396 0.525 20 5 ECBDRO C[N@@H+]1CCCN(CCCNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000609624063 439581138 /nfs/dbraw/zinc/58/11/38/439581138.db2.gz SDZXWUXMSVXAPQ-UHFFFAOYSA-N 1 0 338.412 0.325 20 5 ECBDRO [NH3+][C@@H]1C[C@@H]2CN(c3c4ccccc4ncc3[N+](=O)[O-])CCN2C1=O ZINC000594702800 439593086 /nfs/dbraw/zinc/59/30/86/439593086.db2.gz ZVIIOAJUZJTIFO-ZYHUDNBSSA-N 1 0 327.344 0.891 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000600007635 439593404 /nfs/dbraw/zinc/59/34/04/439593404.db2.gz WOBUIVFRXLJJAO-UHFFFAOYSA-N 1 0 337.380 0.505 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610614845 439631340 /nfs/dbraw/zinc/63/13/40/439631340.db2.gz SLKSMIHAPXCULA-TXEJJXNPSA-N 1 0 339.348 0.360 20 5 ECBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000573578963 439653710 /nfs/dbraw/zinc/65/37/10/439653710.db2.gz JXDFVEVOUMEBGD-RYUDHWBXSA-N 1 0 333.348 0.679 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC3(CC[NH2+]C3)CC2)nc1 ZINC000595112651 439654741 /nfs/dbraw/zinc/65/47/41/439654741.db2.gz XXPHKNNSMWMENC-UHFFFAOYSA-N 1 0 326.378 0.754 20 5 ECBDRO [NH3+]CC12CC(C1)CN2S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000595117810 439655649 /nfs/dbraw/zinc/65/56/49/439655649.db2.gz MEPFCYCGFZEEFG-UHFFFAOYSA-N 1 0 325.390 0.890 20 5 ECBDRO Cc1cc(S(=O)(=O)N2CCN(C)C[C@@H]2C[NH3+])c(C)cc1[N+](=O)[O-] ZINC000573743911 439664052 /nfs/dbraw/zinc/66/40/52/439664052.db2.gz VORSCNYXKMRDRA-LBPRGKRZSA-N 1 0 342.421 0.475 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCc3nnnn3CC2)c1 ZINC000573084158 439627841 /nfs/dbraw/zinc/62/78/41/439627841.db2.gz MZISWWUUSJUHCO-WCQYABFASA-N 1 0 348.363 0.316 20 5 ECBDRO C[C@@H]1[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCS1(=O)=O ZINC000600756637 439698757 /nfs/dbraw/zinc/69/87/57/439698757.db2.gz NJCMIUSEAMJWMQ-GRYCIOLGSA-N 1 0 344.389 0.500 20 5 ECBDRO CC(C)(CO)[NH+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000611165980 439677097 /nfs/dbraw/zinc/67/70/97/439677097.db2.gz RUZCBYPZZPELPH-UHFFFAOYSA-N 1 0 325.369 0.097 20 5 ECBDRO Cc1c(CNC(=O)C(=O)NCC2([NH3+])CCCC2)cccc1[N+](=O)[O-] ZINC000595282499 439689418 /nfs/dbraw/zinc/68/94/18/439689418.db2.gz PANVFUZUZYIDJN-UHFFFAOYSA-N 1 0 334.376 0.907 20 5 ECBDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000595281826 439689526 /nfs/dbraw/zinc/68/95/26/439689526.db2.gz SCEBZQVUIZAAEE-LLVKDONJSA-N 1 0 334.376 0.810 20 5 ECBDRO Cn1ccnc1[C@@H](NC[C@H]1COCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000600709849 439694428 /nfs/dbraw/zinc/69/44/28/439694428.db2.gz KFGDQNQRDJIGEE-ZFWWWQNUSA-N 1 0 331.376 0.996 20 5 ECBDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000613389684 439756257 /nfs/dbraw/zinc/75/62/57/439756257.db2.gz JZBJCIYCDSLWJG-UHOFOFEASA-N 1 0 334.376 0.906 20 5 ECBDRO CN1CC[NH+](CCCCNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000574751222 439725428 /nfs/dbraw/zinc/72/54/28/439725428.db2.gz OEBAXHJVRXKSSI-UHFFFAOYSA-N 1 0 337.380 0.453 20 5 ECBDRO Nc1n[nH]c(C2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)n1 ZINC000595487678 439734150 /nfs/dbraw/zinc/73/41/50/439734150.db2.gz ADOAEKQTHWCAFR-UHFFFAOYSA-N 1 0 333.352 0.336 20 5 ECBDRO C[N@H+](CCCO)C1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000616176665 439812859 /nfs/dbraw/zinc/81/28/59/439812859.db2.gz ZZYUKSMHWYYQSF-UHFFFAOYSA-N 1 0 338.408 0.952 20 5 ECBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000330802344 320862746 /nfs/dbraw/zinc/86/27/46/320862746.db2.gz FLXGTUJCFNHGQI-UHFFFAOYSA-N 1 0 338.364 0.222 20 5 ECBDRO Cn1c(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000339530790 320985259 /nfs/dbraw/zinc/98/52/59/320985259.db2.gz LRBRXHFTQQTMHI-UHFFFAOYSA-N 1 0 333.348 0.909 20 5 ECBDRO C[C@@H](c1ccccc1)[N@@H+](CC(N)=O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000342605277 321095458 /nfs/dbraw/zinc/09/54/58/321095458.db2.gz NUUHCWUSEIBIMY-WFASDCNBSA-N 1 0 347.375 0.701 20 5 ECBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H](C)C1 ZINC000346164743 321217255 /nfs/dbraw/zinc/21/72/55/321217255.db2.gz QAWIUHAFRMWNSM-GZBFAFLISA-N 1 0 348.403 0.945 20 5 ECBDRO Cc1nn(CCC(=O)NC[C@@](C)(O)CC[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000352125559 321350123 /nfs/dbraw/zinc/35/01/23/321350123.db2.gz JBLRHHQRZSTFIC-HNNXBMFYSA-N 1 0 341.412 0.617 20 5 ECBDRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000353049433 321379499 /nfs/dbraw/zinc/37/94/99/321379499.db2.gz RMOQQHRKFVKOSX-UHFFFAOYSA-N 1 0 348.403 0.763 20 5 ECBDRO CN1CC[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000546082088 322115049 /nfs/dbraw/zinc/11/50/49/322115049.db2.gz OQRXYGNNTKHJQN-UHFFFAOYSA-N 1 0 336.396 0.329 20 5 ECBDRO C[C@H](CN1CCCC1=O)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000555338751 322179453 /nfs/dbraw/zinc/17/94/53/322179453.db2.gz MUBWIAFVVFGICU-TZMCWYRMSA-N 1 0 337.376 0.935 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000561004776 322252401 /nfs/dbraw/zinc/25/24/01/322252401.db2.gz RFKMGTLIIJCNHS-SNVBAGLBSA-N 1 0 336.348 0.739 20 5 ECBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCN1CCNC(=O)C1 ZINC000563418654 322316697 /nfs/dbraw/zinc/31/66/97/322316697.db2.gz RDHYAKJZGMRFGP-UHFFFAOYSA-N 1 0 336.392 0.905 20 5 ECBDRO [NH3+]C[C@@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCCO1 ZINC000566208601 322513607 /nfs/dbraw/zinc/51/36/07/322513607.db2.gz KDNKGXUXEKGTDI-CYBMUJFWSA-N 1 0 346.347 0.365 20 5 ECBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000567674725 322592111 /nfs/dbraw/zinc/59/21/11/322592111.db2.gz ZNMHPRAIVLZQFI-UFBFGSQYSA-N 1 0 327.362 0.560 20 5 ECBDRO COC[C@H](C)OC[C@H](O)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000567702118 322593507 /nfs/dbraw/zinc/59/35/07/322593507.db2.gz UMBJRAJEOBDAAU-CMPLNLGQSA-N 1 0 338.364 0.973 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2C=C[C@H](CO)C2)cc1 ZINC000567875527 322603298 /nfs/dbraw/zinc/60/32/98/322603298.db2.gz GJCDSKQDJJNIMT-NWDGAFQWSA-N 1 0 326.374 0.895 20 5 ECBDRO [NH3+]CC1CCN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000568075458 322612662 /nfs/dbraw/zinc/61/26/62/322612662.db2.gz YINWCNKCXVBGSI-UHFFFAOYSA-N 1 0 346.387 0.677 20 5 ECBDRO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000568857837 322635371 /nfs/dbraw/zinc/63/53/71/322635371.db2.gz RPLTUIRXLNYWTH-MBNYWOFBSA-N 1 0 339.396 0.389 20 5 ECBDRO O=C(NCC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000568870501 322635638 /nfs/dbraw/zinc/63/56/38/322635638.db2.gz CUKJTUCSHHJNFE-UHFFFAOYSA-N 1 0 341.389 0.484 20 5 ECBDRO Cc1cc(NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000569710154 322662581 /nfs/dbraw/zinc/66/25/81/322662581.db2.gz OOYSFTSGKQEJKW-NEPJUHHUSA-N 1 0 333.348 0.679 20 5 ECBDRO Cc1c(CC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000572735845 322750343 /nfs/dbraw/zinc/75/03/43/322750343.db2.gz FWVVGDGEVXOHIQ-CHWSQXEVSA-N 1 0 332.360 0.216 20 5 ECBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000573467196 322762414 /nfs/dbraw/zinc/76/24/14/322762414.db2.gz LAAWACGTCIDLHA-SMDDNHRTSA-N 1 0 346.387 0.594 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]CC2(O)CCCC2)cc1 ZINC000574982576 322788562 /nfs/dbraw/zinc/78/85/62/322788562.db2.gz CKZRYWJYKXFZGI-UHFFFAOYSA-N 1 0 343.405 0.768 20 5 ECBDRO O=C1N[C@]2(CCC[NH2+]C2)C(=O)N1CCOc1ccc([N+](=O)[O-])cc1 ZINC000577629947 322841798 /nfs/dbraw/zinc/84/17/98/322841798.db2.gz WXUKBORWFYUBJH-HNNXBMFYSA-N 1 0 334.332 0.648 20 5 ECBDRO CCOc1cc(C(=O)NC[C@H]2C[NH2+]CCO2)c([N+](=O)[O-])cc1OC ZINC000577721508 322843910 /nfs/dbraw/zinc/84/39/10/322843910.db2.gz MIJAHRFUIQFVFG-SNVBAGLBSA-N 1 0 339.348 0.720 20 5 ECBDRO C[C@@](CO)(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000577953142 322851297 /nfs/dbraw/zinc/85/12/97/322851297.db2.gz SEYGTXVVKKHSEX-SJORKVTESA-N 1 0 348.403 0.983 20 5 ECBDRO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000579589836 322901399 /nfs/dbraw/zinc/90/13/99/322901399.db2.gz RQXVMBHBOBKRPX-YWPYICTPSA-N 1 0 337.380 0.440 20 5 ECBDRO CC[N@H+](CCO)CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000183944547 528550609 /nfs/dbraw/zinc/55/06/09/528550609.db2.gz ZARUHGRHAXWVMV-UHFFFAOYSA-N 1 0 348.363 0.220 20 5 ECBDRO O=C(CC[NH2+]C[C@@H]1CCS(=O)(=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000619705890 546358791 /nfs/dbraw/zinc/35/87/91/546358791.db2.gz UGPYHAZSDSLCOS-NSHDSACASA-N 1 0 341.389 0.948 20 5 ECBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000619871321 546376328 /nfs/dbraw/zinc/37/63/28/546376328.db2.gz BWKGOILSCXZDHN-ZDUSSCGKSA-N 1 0 337.380 0.505 20 5 ECBDRO O=C(NCCO)C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000750036595 579346523 /nfs/dbraw/zinc/34/65/23/579346523.db2.gz PFDKGROPRBNLOM-OAHLLOKOSA-N 1 0 337.376 0.449 20 5 ECBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000732149755 578320267 /nfs/dbraw/zinc/32/02/67/578320267.db2.gz OREKMBSEZNSZEY-AWEZNQCLSA-N 1 0 346.391 0.307 20 5 ECBDRO C[NH+](C)C1(CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CCOCC1 ZINC000736755689 578449588 /nfs/dbraw/zinc/44/95/88/578449588.db2.gz DCWYRSJBJLUKCZ-UHFFFAOYSA-N 1 0 348.367 0.693 20 5 ECBDRO Cn1nnnc1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000772466303 579207518 /nfs/dbraw/zinc/20/75/18/579207518.db2.gz JUZGBOKTLZIMJO-UHFFFAOYSA-N 1 0 331.380 0.919 20 5 ECBDRO C[NH+](C)CC(=O)N1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776580372 579284701 /nfs/dbraw/zinc/28/47/01/579284701.db2.gz XKHLPLDFADZGOH-OAHLLOKOSA-N 1 0 336.392 0.334 20 5 ECBDRO COC(=O)[C@H](O)C1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776592069 579285478 /nfs/dbraw/zinc/28/54/78/579285478.db2.gz XXVRIRHTJVZWPF-HUUCEWRRSA-N 1 0 338.360 0.874 20 5 ECBDRO O=[N+]([O-])c1cnc(NCCC[NH+]2CCC(O)CC2)c(-c2nn[nH]n2)c1 ZINC000738374627 579624989 /nfs/dbraw/zinc/62/49/89/579624989.db2.gz RBLIYVDGVHAOFI-UHFFFAOYSA-N 1 0 348.367 0.429 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC[C@H]2C2OCCO2)c1 ZINC000743846631 579802781 /nfs/dbraw/zinc/80/27/81/579802781.db2.gz SDVNMKHILGXGQU-OLZOCXBDSA-N 1 0 326.353 0.380 20 5 ECBDRO C[C@@H](CNC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000836622835 588932752 /nfs/dbraw/zinc/93/27/52/588932752.db2.gz HJDFNNNQHYRJHN-ZLKJLUDKSA-N 1 0 340.380 0.238 20 5 ECBDRO [NH3+]C[C@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841163106 588980263 /nfs/dbraw/zinc/98/02/63/588980263.db2.gz RVTYSCNUESDTCK-MRVPVSSYSA-N 1 0 326.740 0.994 20 5 ECBDRO COc1ccc(CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000895812442 586206467 /nfs/dbraw/zinc/20/64/67/586206467.db2.gz PUAKZNUFLSRQOZ-ZDUSSCGKSA-N 1 0 335.360 0.940 20 5 ECBDRO CCn1cc(S(=O)(=O)NC2CC3(CC([NH3+])C3)C2)c([N+](=O)[O-])n1 ZINC000842798975 589037116 /nfs/dbraw/zinc/03/71/16/589037116.db2.gz XBDZZQPXYKVCTQ-UHFFFAOYSA-N 1 0 329.382 0.359 20 5 ECBDRO COCC[NH+](CCOC)C1CCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC000893837615 586362982 /nfs/dbraw/zinc/36/29/82/586362982.db2.gz VQMNOHVEKJURGP-UHFFFAOYSA-N 1 0 341.412 0.892 20 5 ECBDRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000841215351 586408759 /nfs/dbraw/zinc/40/87/59/586408759.db2.gz CBSSVFMHYDSODR-VIFPVBQESA-N 1 0 342.739 0.373 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](CCO)Cc2ccccc2)c1 ZINC000843113196 589051062 /nfs/dbraw/zinc/05/10/62/589051062.db2.gz MHWMILNLULIBDX-GDBMZVCRSA-N 1 0 334.376 0.736 20 5 ECBDRO C[NH+](C)C[C@@]1(O)CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000895010402 586424208 /nfs/dbraw/zinc/42/42/08/586424208.db2.gz QQIHOJIWGNELLF-KRWDZBQOSA-N 1 0 348.403 0.990 20 5 ECBDRO [NH3+]C[C@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000843367329 589064185 /nfs/dbraw/zinc/06/41/85/589064185.db2.gz BPHYIMYDYGYKPB-JTQLQIEISA-N 1 0 328.756 0.846 20 5 ECBDRO COCC[C@@H]1C[NH2+]CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000903840953 586819655 /nfs/dbraw/zinc/81/96/55/586819655.db2.gz VCTZAMHQMNUIPB-KGLIPLIRSA-N 1 0 339.392 0.645 20 5 ECBDRO COC[C@@H]1C[NH2+]CCN1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000903876516 586821613 /nfs/dbraw/zinc/82/16/13/586821613.db2.gz MEWPYKAMRLMGKV-LBPRGKRZSA-N 1 0 325.365 0.902 20 5 ECBDRO O=[N+]([O-])c1cccnc1N1CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000839036386 586833762 /nfs/dbraw/zinc/83/37/62/586833762.db2.gz UPOVLAJXAVQUFT-CQSZACIVSA-N 1 0 335.408 0.569 20 5 ECBDRO Cc1cc(C(=O)N2CC(C[NH+]3CCN(C)CC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000816752191 587323287 /nfs/dbraw/zinc/32/32/87/587323287.db2.gz SWPBQBXJDATLLV-UHFFFAOYSA-N 1 0 347.419 0.805 20 5 ECBDRO Cn1cc([C@@H]2CN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C[C@H]2[NH3+])cn1 ZINC000818290641 587420925 /nfs/dbraw/zinc/42/09/25/587420925.db2.gz BVZDHLZVMCOWJW-WCQYABFASA-N 1 0 330.348 0.477 20 5 ECBDRO O=C(CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[NH2+]CC1 ZINC000818561778 587438717 /nfs/dbraw/zinc/43/87/17/587438717.db2.gz WMOLTUXMZMPGIR-UHFFFAOYSA-N 1 0 326.740 0.410 20 5 ECBDRO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2C(=O)NCC[NH3+])n1 ZINC000818582922 587439221 /nfs/dbraw/zinc/43/92/21/587439221.db2.gz BEYONNQRADWOLW-UHFFFAOYSA-N 1 0 346.347 0.752 20 5 ECBDRO O=C1[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1C1CCOCC1 ZINC000819129350 587469602 /nfs/dbraw/zinc/46/96/02/587469602.db2.gz HCGBSIWNPMPOIO-HZPDHXFCSA-N 1 0 349.387 0.998 20 5 ECBDRO COCc1nc2n(n1)C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000819152945 587470227 /nfs/dbraw/zinc/47/02/27/587470227.db2.gz FOLMQZISURMLQU-TZMCWYRMSA-N 1 0 347.375 0.971 20 5 ECBDRO CC[C@@H](CNS(C)(=O)=O)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819343609 587477041 /nfs/dbraw/zinc/47/70/41/587477041.db2.gz OEKHRWJKWOCZIL-AAEUAGOBSA-N 1 0 331.394 0.546 20 5 ECBDRO NC(=O)c1cn(CCCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)nn1 ZINC000819376501 587478095 /nfs/dbraw/zinc/47/80/95/587478095.db2.gz YQKIBEJIMKDBIU-CQSZACIVSA-N 1 0 348.363 0.389 20 5 ECBDRO C[NH+](C)C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000819822463 587492391 /nfs/dbraw/zinc/49/23/91/587492391.db2.gz BLKMYNNLCIUZIT-GFCCVEGCSA-N 1 0 336.392 0.847 20 5 ECBDRO C[NH+]1CCN(CCCNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000821627006 587607991 /nfs/dbraw/zinc/60/79/91/587607991.db2.gz IYLZSVRDEQVRPG-UHFFFAOYSA-N 1 0 347.383 0.219 20 5 ECBDRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000825618141 587953161 /nfs/dbraw/zinc/95/31/61/587953161.db2.gz JKRZLLZJAGUQLT-UHFFFAOYSA-N 1 0 340.767 0.752 20 5 ECBDRO C[NH+](C)CCN1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1=O ZINC000844715168 589117908 /nfs/dbraw/zinc/11/79/08/589117908.db2.gz UTPCWTGTTNPABW-UHFFFAOYSA-N 1 0 346.391 0.608 20 5 ECBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000848587073 589301377 /nfs/dbraw/zinc/30/13/77/589301377.db2.gz BZLWEVCPQTUNNI-CYBMUJFWSA-N 1 0 345.302 0.749 20 5 ECBDRO [NH3+]C[C@H]1CC(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)=NO1 ZINC000852802454 589512809 /nfs/dbraw/zinc/51/28/09/589512809.db2.gz JNPMEPKZBBFJRI-LLVKDONJSA-N 1 0 333.348 0.347 20 5 ECBDRO CN(C)C(=O)CN(CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000853834044 589561352 /nfs/dbraw/zinc/56/13/52/589561352.db2.gz RPDCSPJPAJSSNU-UHFFFAOYSA-N 1 0 339.352 0.959 20 5 ECBDRO Cc1c(C(=O)N[C@H](CO)C[NH+](C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000854466778 589588051 /nfs/dbraw/zinc/58/80/51/589588051.db2.gz KKVVCYQMGCKPQK-JTQLQIEISA-N 1 0 340.336 0.772 20 5 ECBDRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000856097573 589654233 /nfs/dbraw/zinc/65/42/33/589654233.db2.gz CNIDVXGZCCXDPZ-HOTGVXAUSA-N 1 0 349.387 0.998 20 5 ECBDRO [NH3+]C[C@@H]1CN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000857767037 589704326 /nfs/dbraw/zinc/70/43/26/589704326.db2.gz WQIHMEQGTQFTGH-LLVKDONJSA-N 1 0 331.275 0.753 20 5 ECBDRO C[NH2+]CCOCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000858628256 589761324 /nfs/dbraw/zinc/76/13/24/589761324.db2.gz YAWKCTDVUKXKIN-UHFFFAOYSA-N 1 0 347.393 0.460 20 5 ECBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000868343992 589894397 /nfs/dbraw/zinc/89/43/97/589894397.db2.gz MRCBWAWTHIPRRJ-OLZOCXBDSA-N 1 0 337.351 0.944 20 5 ECBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000863323182 590003511 /nfs/dbraw/zinc/00/35/11/590003511.db2.gz FXYYIPOQOQGIFD-SNVBAGLBSA-N 1 0 327.312 0.296 20 5 ECBDRO COC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCOC1 ZINC000886914239 590905843 /nfs/dbraw/zinc/90/58/43/590905843.db2.gz SYLUZZOJIYTNFM-JSGCOSHPSA-N 1 0 325.365 0.788 20 5 ECBDRO CCN(C(=O)C1CC[NH+](C)CC1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000936083099 609069962 /nfs/dbraw/zinc/06/99/62/609069962.db2.gz NCPPMICLNGMFPU-ZIAGYGMSSA-N 1 0 338.408 0.053 20 5 ECBDRO C[NH+]1C[C@@]2(C)CN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000913285594 609661495 /nfs/dbraw/zinc/66/14/95/609661495.db2.gz UDSUTQFPBPFLKT-HOTGVXAUSA-N 1 0 334.376 0.557 20 5 ECBDRO O=C1[C@@H](N2CCC[C@@H]([NH2+]CCO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000923407289 611239508 /nfs/dbraw/zinc/23/95/08/611239508.db2.gz LDWWKCDBMBLCKO-CJNGLKHVSA-N 1 0 348.403 0.746 20 5 ECBDRO [NH3+]C[C@@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000842510460 611314188 /nfs/dbraw/zinc/31/41/88/611314188.db2.gz SAQFGBPVECHBBP-CYBMUJFWSA-N 1 0 333.348 0.521 20 5 ECBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[C@@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001164926968 721870412 /nfs/dbraw/zinc/87/04/12/721870412.db2.gz TZTAXWRSJKDSSB-CABCVRRESA-N 1 0 335.408 0.751 20 5 ECBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1-n1c(C)ncc(C[NH3+])c1=N ZINC001167674122 737014983 /nfs/dbraw/zinc/01/49/83/737014983.db2.gz KVCYPVLIXGGNAN-UHFFFAOYSA-N 1 0 332.320 0.517 20 5 ECBDRO Cn1cnc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc([N+](=O)[O-])cc4)C[C@H]32)n1 ZINC001025768034 739933568 /nfs/dbraw/zinc/93/35/68/739933568.db2.gz ZLAUCPCBZXGLEJ-WDNDVIMCSA-N 1 0 342.359 0.584 20 5 ECBDRO Cn1ccc(C(=O)N2CCC([NH2+]Cc3c([N+](=O)[O-])ncn3C)CC2)n1 ZINC000997302468 743464675 /nfs/dbraw/zinc/46/46/75/743464675.db2.gz MPZGLNUEBWWDAE-UHFFFAOYSA-N 1 0 347.379 0.456 20 5 ECBDRO Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nc1 ZINC000997772637 743802423 /nfs/dbraw/zinc/80/24/23/743802423.db2.gz PPBLHZITCLNDGD-ZIAGYGMSSA-N 1 0 333.392 0.778 20 5 ECBDRO Nc1nc(N[C@H]2C[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)ncc1[N+](=O)[O-] ZINC001059265789 745515638 /nfs/dbraw/zinc/51/56/38/745515638.db2.gz BKRAYVBTRHXPLD-MGCOHNPYSA-N 1 0 347.379 0.122 20 5 ECBDRO Cn1nnc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000984595411 746704733 /nfs/dbraw/zinc/70/47/33/746704733.db2.gz NSZUDOWFERZJBE-HAQNSBGRSA-N 1 0 345.363 0.417 20 5 ECBDRO Cc1cc(-n2nnc(CC[NH3+])n2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001167790444 747457708 /nfs/dbraw/zinc/45/77/08/747457708.db2.gz JTWWPMPCXNVAPJ-UHFFFAOYSA-N 1 0 326.320 0.837 20 5 ECBDRO Cn1nnc(C(=O)NC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001003447529 748564567 /nfs/dbraw/zinc/56/45/67/748564567.db2.gz VGGVNENJCXVNGD-UHFFFAOYSA-N 1 0 345.363 0.513 20 5 ECBDRO Cc1nccnc1C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC000981764226 751074986 /nfs/dbraw/zinc/07/49/86/751074986.db2.gz PXVABTQZTXDJCT-UKRRQHHQSA-N 1 0 345.403 0.875 20 5 ECBDRO O=C(Cn1cnnn1)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000989918192 754550514 /nfs/dbraw/zinc/55/05/14/754550514.db2.gz ZJYZEHTVQGEFFR-UHFFFAOYSA-N 1 0 345.363 0.362 20 5 ECBDRO O=C(NCC[NH2+]CCc1ccc2c(c1)OCCO2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936926 756767155 /nfs/dbraw/zinc/76/71/55/756767155.db2.gz XEYPIDFAXBISAL-CHWSQXEVSA-N 1 0 335.360 0.371 20 5 ECBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@@H]2C1 ZINC001048814353 757081577 /nfs/dbraw/zinc/08/15/77/757081577.db2.gz HDISKLYMZGRAPE-QKPAOTATSA-N 1 0 337.420 0.859 20 5 ECBDRO CCc1nocc1C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001048814715 757083372 /nfs/dbraw/zinc/08/33/72/757083372.db2.gz ZIRIUGUTEQGNKX-NDPMZMCLSA-N 1 0 334.376 0.792 20 5 ECBDRO Cn1ncc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)c1N ZINC001021996735 758146279 /nfs/dbraw/zinc/14/62/79/758146279.db2.gz JDURSYRYJWXBPO-TXEJJXNPSA-N 1 0 344.375 0.961 20 5 ECBDRO NC(=O)C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001050360578 760181194 /nfs/dbraw/zinc/18/11/94/760181194.db2.gz PQYZFVMLRGSUMD-AULYBMBSSA-N 1 0 334.376 0.845 20 5 ECBDRO NC(=O)C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001050360618 760181239 /nfs/dbraw/zinc/18/12/39/760181239.db2.gz RNSWTXYWOHHSAW-HOMQSWHASA-N 1 0 340.405 0.906 20 5 ECBDRO O=C(NCC1CN(Cc2cc(CO)ccc2F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031662284 766379514 /nfs/dbraw/zinc/37/95/14/766379514.db2.gz AGIYTRPVWOYNQL-UKRRQHHQSA-N 1 0 337.351 0.531 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)COc1cccnc1 ZINC001168442769 766638140 /nfs/dbraw/zinc/63/81/40/766638140.db2.gz YUEHDBAVVPNTNB-UHFFFAOYSA-N 1 0 348.363 0.398 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)c2cnsn2)C1 ZINC001020007319 772069491 /nfs/dbraw/zinc/06/94/91/772069491.db2.gz GMTCJKFMACUDAB-ZKCHVHJHSA-N 1 0 337.365 0.230 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)c2cncs2)C1 ZINC001020011122 772073081 /nfs/dbraw/zinc/07/30/81/772073081.db2.gz HFYFJLQDXWJGQR-KYZUINATSA-N 1 0 336.377 0.835 20 5 ECBDRO Cc1cc(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)no1 ZINC001020033550 772094188 /nfs/dbraw/zinc/09/41/88/772094188.db2.gz GZLYUGRPVPATJE-XYPYZODXSA-N 1 0 348.363 0.604 20 5 ECBDRO O=C(CN1CN=NC1=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001020087849 772143432 /nfs/dbraw/zinc/14/34/32/772143432.db2.gz XWAMAGGAMOUMGG-HAQNSBGRSA-N 1 0 346.347 0.329 20 5 ECBDRO Cc1nn(C)c(Cl)c1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020138991 772205499 /nfs/dbraw/zinc/20/54/99/772205499.db2.gz LMEYBUGBTUSLJW-DNRKLUKYSA-N 1 0 341.799 0.784 20 5 ECBDRO CC(C)Cn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020139323 772206258 /nfs/dbraw/zinc/20/62/58/772206258.db2.gz XKKXIUVBBORJCJ-FDYHWXHSSA-N 1 0 336.396 0.336 20 5 ECBDRO CN(CC[NH2+]Cc1cc(C(F)(F)F)nn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267371683 837272002 /nfs/dbraw/zinc/27/20/02/837272002.db2.gz QQVZQXMFJRPRCP-NXEZZACHSA-N 1 0 349.313 0.652 20 5 ECBDRO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NCC1=CC[NH2+]CC1 ZINC000427153969 210183302 /nfs/dbraw/zinc/18/33/02/210183302.db2.gz UOPZVFOJSKSUES-UHFFFAOYSA-N 1 0 347.375 0.430 20 5 ECBDRO COCC(C)(C)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000425274082 210029815 /nfs/dbraw/zinc/02/98/15/210029815.db2.gz CJGZKWFCNDEUDA-UHFFFAOYSA-N 1 0 337.380 0.636 20 5 ECBDRO CCOC(=O)[C@@](C)(O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000355051323 299190293 /nfs/dbraw/zinc/19/02/93/299190293.db2.gz NCMOSGCZAOUWKP-NHYWBVRUSA-N 1 0 338.364 0.790 20 5 ECBDRO [NH3+][C@@H]1CCN(C(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000423100559 209699167 /nfs/dbraw/zinc/69/91/67/209699167.db2.gz MXYQYHFQVNSLRG-GFCCVEGCSA-N 1 0 332.360 0.645 20 5 ECBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000355336093 299241001 /nfs/dbraw/zinc/24/10/01/299241001.db2.gz KDVHNAIJGDKEPH-CQSZACIVSA-N 1 0 339.396 0.751 20 5 ECBDRO C[C@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C[NH+]1CCN(C)CC1 ZINC000187144352 236129423 /nfs/dbraw/zinc/12/94/23/236129423.db2.gz JRDCYQBYSPAGAW-LLVKDONJSA-N 1 0 337.380 0.309 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)N[C@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000420441328 209366855 /nfs/dbraw/zinc/36/68/55/209366855.db2.gz OJRCKVMVEDOWDC-JGVFFNPUSA-N 1 0 331.350 0.395 20 5 ECBDRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCO1 ZINC000420469154 209373981 /nfs/dbraw/zinc/37/39/81/209373981.db2.gz IGDJEHKKPGGPBL-SECBINFHSA-N 1 0 349.796 0.987 20 5 ECBDRO [NH3+]C[C@@H]1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000420419029 209363483 /nfs/dbraw/zinc/36/34/83/209363483.db2.gz IUELOWMZCJMGPC-GFCCVEGCSA-N 1 0 329.378 0.127 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000420346955 209355385 /nfs/dbraw/zinc/35/53/85/209355385.db2.gz ZNQCFGSBOFFSGN-RISCZKNCSA-N 1 0 325.390 0.662 20 5 ECBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000420113408 209309801 /nfs/dbraw/zinc/30/98/01/209309801.db2.gz IKEJSQQTLZDAAW-DOMZBBRYSA-N 1 0 348.403 0.710 20 5 ECBDRO 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C[C@@H](NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000449590848 211286176 /nfs/dbraw/zinc/28/61/76/211286176.db2.gz PNIXXNVWJWMVSN-VHSXEESVSA-N 1 0 344.393 0.115 20 5 ECBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000446401300 211143121 /nfs/dbraw/zinc/14/31/21/211143121.db2.gz WGELPHTWGZIZQC-OLZOCXBDSA-N 1 0 349.391 0.780 20 5 ECBDRO Cn1cc([C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@H]2CO)cn1 ZINC000444745787 211096292 /nfs/dbraw/zinc/09/62/92/211096292.db2.gz ATXCOSSURARRMA-ZFWWWQNUSA-N 1 0 347.375 0.198 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCO2)c(Cl)c1 ZINC000157383723 207626597 /nfs/dbraw/zinc/62/65/97/207626597.db2.gz JTFPQWDBJAQUDQ-SECBINFHSA-N 1 0 335.769 0.515 20 5 ECBDRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000415371417 208503005 /nfs/dbraw/zinc/50/30/05/208503005.db2.gz GDOLTJGBFBVUCY-LLVKDONJSA-N 1 0 336.348 0.752 20 5 ECBDRO Cc1c(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cccc1[N+](=O)[O-] 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ECBDRO COCC1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000261875134 165256089 /nfs/dbraw/zinc/25/60/89/165256089.db2.gz LVGKPTZNEHTCND-UHFFFAOYSA-N 1 0 343.405 0.889 20 5 ECBDRO O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000262035279 165280364 /nfs/dbraw/zinc/28/03/64/165280364.db2.gz PYKFSYZOAMHEIZ-QWRGUYRKSA-N 1 0 336.348 0.661 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000262368911 165338237 /nfs/dbraw/zinc/33/82/37/165338237.db2.gz XJNVGMZDZUEQSF-UWVGGRQHSA-N 1 0 329.378 0.974 20 5 ECBDRO COC[C@]1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000262515327 165357313 /nfs/dbraw/zinc/35/73/13/165357313.db2.gz NJZJRJXODZPVGX-CYBMUJFWSA-N 1 0 329.378 0.642 20 5 ECBDRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)C1 ZINC000193267988 263166548 /nfs/dbraw/zinc/16/65/48/263166548.db2.gz XLDKZUWJMVRPNW-VIFPVBQESA-N 1 0 347.368 0.973 20 5 ECBDRO Cc1nn(C)c(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000193921855 263168174 /nfs/dbraw/zinc/16/81/74/263168174.db2.gz FLFHYCLTIHVOFQ-QWRGUYRKSA-N 1 0 339.396 0.866 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000237576226 263173989 /nfs/dbraw/zinc/17/39/89/263173989.db2.gz VIVUEDYLGWQBAE-UHFFFAOYSA-N 1 0 332.364 0.791 20 5 ECBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000237949636 263175596 /nfs/dbraw/zinc/17/55/96/263175596.db2.gz OJIUAHIPZZDCJM-SNVBAGLBSA-N 1 0 338.389 0.550 20 5 ECBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000267429033 263180394 /nfs/dbraw/zinc/18/03/94/263180394.db2.gz WETBDRWJPFCOHA-LLVKDONJSA-N 1 0 335.364 0.247 20 5 ECBDRO C[C@@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000269646168 263194627 /nfs/dbraw/zinc/19/46/27/263194627.db2.gz SNXCONJBDQHCQX-OLZOCXBDSA-N 1 0 336.392 0.993 20 5 ECBDRO Cc1c(CC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000269689606 263197660 /nfs/dbraw/zinc/19/76/60/263197660.db2.gz 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COCCOC[C@@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000295630992 265071972 /nfs/dbraw/zinc/07/19/72/265071972.db2.gz XMMNLUQMVVJLKS-INIZCTEOSA-N 1 0 339.392 0.741 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC(=O)N[C@@H](C)C1 ZINC000296076457 265091839 /nfs/dbraw/zinc/09/18/39/265091839.db2.gz DWOHIFWHGZLDTK-JTQLQIEISA-N 1 0 336.348 0.752 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CCO)CCCO ZINC000299203665 265348580 /nfs/dbraw/zinc/34/85/80/265348580.db2.gz GNRQAIPNFUSQCF-UHFFFAOYSA-N 1 0 341.364 0.609 20 5 ECBDRO COC[C@@]1(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC[NH2+]C1 ZINC000423414708 277582022 /nfs/dbraw/zinc/58/20/22/277582022.db2.gz NRMJJBDEKOKERK-BLLLJJGKSA-N 1 0 349.391 0.629 20 5 ECBDRO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC1(O)CCOCC1 ZINC000189775518 437611622 /nfs/dbraw/zinc/61/16/22/437611622.db2.gz MZNPSUPLTJLLAJ-UHFFFAOYSA-N 1 0 349.387 0.957 20 5 ECBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000359815144 299897558 /nfs/dbraw/zinc/89/75/58/299897558.db2.gz ZYGMAULOYILQLJ-SNVBAGLBSA-N 1 0 339.348 0.713 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000262737704 295192293 /nfs/dbraw/zinc/19/22/93/295192293.db2.gz AXTWNDMAYJVVDZ-UWVGGRQHSA-N 1 0 329.378 0.974 20 5 ECBDRO [NH3+]C1(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCC1 ZINC000342585947 297754504 /nfs/dbraw/zinc/75/45/04/297754504.db2.gz KRUZLRMEYFFGIH-JTQLQIEISA-N 1 0 336.348 0.790 20 5 ECBDRO C[C@H](C[NH+](C)C)NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000346168607 298232254 /nfs/dbraw/zinc/23/22/54/298232254.db2.gz UCDCPUVUWZXGID-SECBINFHSA-N 1 0 340.405 0.852 20 5 ECBDRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000353213486 299023199 /nfs/dbraw/zinc/02/31/99/299023199.db2.gz CGXLUBXJRLHVEZ-JTQLQIEISA-N 1 0 331.398 0.574 20 5 ECBDRO COC(=O)c1cn([C@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)nn1 ZINC000364004745 300317029 /nfs/dbraw/zinc/31/70/29/300317029.db2.gz CFOAHZJWOQVNFO-NSHDSACASA-N 1 0 349.351 0.507 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](n3cncn3)C2)c1 ZINC000364510845 300363238 /nfs/dbraw/zinc/36/32/38/300363238.db2.gz YFLKLUQIILCALC-ZIAGYGMSSA-N 1 0 333.348 0.873 20 5 ECBDRO COC(=O)[C@]12CCC[C@H]1C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000364691073 300378734 /nfs/dbraw/zinc/37/87/34/300378734.db2.gz PZUVEDGMWNDGHD-LNSITVRQSA-N 1 0 338.364 0.427 20 5 ECBDRO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000072089580 436033426 /nfs/dbraw/zinc/03/34/26/436033426.db2.gz COWOJEQSOMUQMZ-LBPRGKRZSA-N 1 0 340.405 0.917 20 5 ECBDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000373547128 301067137 /nfs/dbraw/zinc/06/71/37/301067137.db2.gz RZMKVDUEIZZEPW-ZMSDIMECSA-N 1 0 333.388 0.747 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000376454906 301263353 /nfs/dbraw/zinc/26/33/53/301263353.db2.gz NUAIZKHRHBCDHP-CMPLNLGQSA-N 1 0 341.389 0.976 20 5 ECBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000183162914 301297759 /nfs/dbraw/zinc/29/77/59/301297759.db2.gz KXPFDCQMMYGAOO-CYBMUJFWSA-N 1 0 349.384 0.633 20 5 ECBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000032270443 436236532 /nfs/dbraw/zinc/23/65/32/436236532.db2.gz DLJMGLWGHTVBDY-ZDUSSCGKSA-N 1 0 325.369 0.264 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000081032304 436335827 /nfs/dbraw/zinc/33/58/27/436335827.db2.gz GGUSCXMPJKMEMS-UHFFFAOYSA-N 1 0 337.380 0.423 20 5 ECBDRO CN(CC[NH+](C)C)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000081865272 436360483 /nfs/dbraw/zinc/36/04/83/436360483.db2.gz SJEZXFZFNPACLR-UHFFFAOYSA-N 1 0 342.783 0.998 20 5 ECBDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000515467264 301642350 /nfs/dbraw/zinc/64/23/50/301642350.db2.gz VWHWTSZVEUPOIL-UGNUEGEHSA-N 1 0 344.437 0.822 20 5 ECBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC2(COC)CC[NH2+]CC2)n1 ZINC000517555669 301706652 /nfs/dbraw/zinc/70/66/52/301706652.db2.gz VGHMDYZNHNQZAJ-UHFFFAOYSA-N 1 0 325.369 0.557 20 5 ECBDRO C[C@H]1C[NH+](CCCNC(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000047434879 436418843 /nfs/dbraw/zinc/41/88/43/436418843.db2.gz DJYZSWAWTMPOQB-RYUDHWBXSA-N 1 0 325.369 0.407 20 5 ECBDRO O=C(NC[C@H]1C[NH2+]CCCO1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000520405535 301770878 /nfs/dbraw/zinc/77/08/78/301770878.db2.gz NDDFLYTTYUUQHJ-SNVBAGLBSA-N 1 0 337.332 0.474 20 5 ECBDRO CC(=O)NC1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000050991300 436479930 /nfs/dbraw/zinc/47/99/30/436479930.db2.gz QENYFLHMTCDWPQ-OAHLLOKOSA-N 1 0 337.376 0.935 20 5 ECBDRO C[N@@H+]1CCC[C@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000052590685 436511040 /nfs/dbraw/zinc/51/10/40/436511040.db2.gz CKLBYUQFMXHZQE-ZDUSSCGKSA-N 1 0 348.407 0.916 20 5 ECBDRO C[N@@H+]1CC[C@H](C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000543613019 302216039 /nfs/dbraw/zinc/21/60/39/302216039.db2.gz OPCZUDDUNHHREH-NSHDSACASA-N 1 0 341.389 0.436 20 5 ECBDRO Cc1n[nH]c(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000064354538 436649089 /nfs/dbraw/zinc/64/90/89/436649089.db2.gz JYNIDYLXCWHKAI-UWVGGRQHSA-N 1 0 325.369 0.855 20 5 ECBDRO C[NH+](C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@@H]1O ZINC000552155502 302386129 /nfs/dbraw/zinc/38/61/29/302386129.db2.gz YNOZSBQRHOSYEU-KBPBESRZSA-N 1 0 330.344 0.890 20 5 ECBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1C ZINC000120787496 436698630 /nfs/dbraw/zinc/69/86/30/436698630.db2.gz ZXXFZXVWZGNVMJ-LBPRGKRZSA-N 1 0 342.421 0.475 20 5 ECBDRO C[NH2+]CCCNC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O ZINC000121053280 436707325 /nfs/dbraw/zinc/70/73/25/436707325.db2.gz IKHAPHZPMPVEBR-UHFFFAOYSA-N 1 0 345.359 0.788 20 5 ECBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000194399043 436665998 /nfs/dbraw/zinc/66/59/98/436665998.db2.gz UYOVJLPUJCAFMH-UHFFFAOYSA-N 1 0 334.376 0.749 20 5 ECBDRO C[C@@H]([NH3+])CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000194917919 436673751 /nfs/dbraw/zinc/67/37/51/436673751.db2.gz KAORFFAERQHNSR-RKDXNWHRSA-N 1 0 326.378 0.724 20 5 ECBDRO C[C@@H]([NH3+])CNC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 ZINC000194883242 436674342 /nfs/dbraw/zinc/67/43/42/436674342.db2.gz BJKYLHLRZMRAHK-MRVPVSSYSA-N 1 0 336.377 0.952 20 5 ECBDRO C[C@H]([NH3+])CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000194917875 436674660 /nfs/dbraw/zinc/67/46/60/436674660.db2.gz KAORFFAERQHNSR-IUCAKERBSA-N 1 0 326.378 0.724 20 5 ECBDRO CN(C)S(=O)(=O)c1ccc(N2CC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000152521832 436733857 /nfs/dbraw/zinc/73/38/57/436733857.db2.gz NLEFJRVITPEHPH-LLVKDONJSA-N 1 0 342.421 0.985 20 5 ECBDRO CS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000237423918 436734449 /nfs/dbraw/zinc/73/44/49/436734449.db2.gz TULUECMWPSLERR-SNVBAGLBSA-N 1 0 341.389 0.728 20 5 ECBDRO COC[C@@](C)(CCO)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273282927 436743247 /nfs/dbraw/zinc/74/32/47/436743247.db2.gz DMJGBRPAMCLXCU-SWLSCSKDSA-N 1 0 328.365 0.712 20 5 ECBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000273389758 436750797 /nfs/dbraw/zinc/75/07/97/436750797.db2.gz HQHJPQPUPRPVQL-VHDGCEQUSA-N 1 0 346.387 0.910 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000238142624 436756032 /nfs/dbraw/zinc/75/60/32/436756032.db2.gz TXUTUVAFNSGWFC-UHFFFAOYSA-N 1 0 334.376 0.747 20 5 ECBDRO CN(Cc1nccn1C)c1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273454969 436756356 /nfs/dbraw/zinc/75/63/56/436756356.db2.gz GUHMIPRSMSAZHJ-UHFFFAOYSA-N 1 0 325.350 0.612 20 5 ECBDRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000249281668 436817729 /nfs/dbraw/zinc/81/77/29/436817729.db2.gz NPOUYGHVJSRSQS-YUELXQCFSA-N 1 0 337.376 0.968 20 5 ECBDRO C[C@H](O)C[N@@H+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000249496931 436821528 /nfs/dbraw/zinc/82/15/28/436821528.db2.gz HBQWRIDLQGYGNM-STQMWFEESA-N 1 0 336.392 0.920 20 5 ECBDRO O=C(N[C@H]1CC[NH2+]C1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000126350640 436785831 /nfs/dbraw/zinc/78/58/31/436785831.db2.gz WRFRZRRJIUKPBX-UWVGGRQHSA-N 1 0 338.389 0.739 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248605315 436804843 /nfs/dbraw/zinc/80/48/43/436804843.db2.gz JVKQURBVRUPDCT-HQRZJTNHSA-N 1 0 346.387 0.909 20 5 ECBDRO C[NH+](C)C[C@H]1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC000292991536 436841874 /nfs/dbraw/zinc/84/18/74/436841874.db2.gz GQQSPLYEFXUCQZ-SNVBAGLBSA-N 1 0 328.394 0.630 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCO2)c(Cl)c1 ZINC000157383576 436828640 /nfs/dbraw/zinc/82/86/40/436828640.db2.gz JTFPQWDBJAQUDQ-VIFPVBQESA-N 1 0 335.769 0.515 20 5 ECBDRO [NH3+][C@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000157892898 436837052 /nfs/dbraw/zinc/83/70/52/436837052.db2.gz GNOHAZVAYGLVMH-WDEREUQCSA-N 1 0 336.348 0.742 20 5 ECBDRO C[NH2+][C@H](C)CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000261823548 436889673 /nfs/dbraw/zinc/88/96/73/436889673.db2.gz UPBWQAOVGCSNSX-MRVPVSSYSA-N 1 0 328.756 0.702 20 5 ECBDRO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000274933185 436894974 /nfs/dbraw/zinc/89/49/74/436894974.db2.gz BTHSGQVZFYCHQI-NSHDSACASA-N 1 0 336.348 0.490 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000261902594 436895042 /nfs/dbraw/zinc/89/50/42/436895042.db2.gz PBDUBXNNMMFELJ-PWSUYJOCSA-N 1 0 341.389 0.976 20 5 ECBDRO Nc1c(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc(F)cc1[N+](=O)[O-] ZINC000295418463 436967428 /nfs/dbraw/zinc/96/74/28/436967428.db2.gz JWNSMLZNUQCSNX-NSHDSACASA-N 1 0 340.355 0.893 20 5 ECBDRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1[nH]ncc1[N+](=O)[O-] ZINC000294269550 436946162 /nfs/dbraw/zinc/94/61/62/436946162.db2.gz RBFJKGAXFPWLIT-CYBMUJFWSA-N 1 0 345.359 0.467 20 5 ECBDRO CNC(=O)[C@]1(C)CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000281242997 436957248 /nfs/dbraw/zinc/95/72/48/436957248.db2.gz UPKSDIYZHWODOZ-QGZVFWFLSA-N 1 0 346.387 0.942 20 5 ECBDRO COCC[NH2+]CCCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000275821759 437018131 /nfs/dbraw/zinc/01/81/31/437018131.db2.gz CGAPIKKYTYVSSQ-UHFFFAOYSA-N 1 0 338.364 0.584 20 5 ECBDRO COCC[N@@H+]1CC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000264453337 437032768 /nfs/dbraw/zinc/03/27/68/437032768.db2.gz DDDHGZHJYVZCSP-LLVKDONJSA-N 1 0 341.339 0.950 20 5 ECBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000296631506 436995274 /nfs/dbraw/zinc/99/52/74/436995274.db2.gz CHDXAZWHSYBJFR-JTQLQIEISA-N 1 0 339.377 0.947 20 5 ECBDRO COc1ccc(OCCN2CC[NH+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000173494865 437052546 /nfs/dbraw/zinc/05/25/46/437052546.db2.gz HVELXGPUHDVADQ-UHFFFAOYSA-N 1 0 325.365 0.592 20 5 ECBDRO C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C[NH+]1CCCCC1 ZINC000299496644 437084054 /nfs/dbraw/zinc/08/40/54/437084054.db2.gz JSWAZEOEZSAWEO-ZDUSSCGKSA-N 1 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ZINC000276556493 437127020 /nfs/dbraw/zinc/12/70/20/437127020.db2.gz RFHNUWFYUHZKOJ-LBPRGKRZSA-N 1 0 334.376 0.971 20 5 ECBDRO C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000316638721 437187611 /nfs/dbraw/zinc/18/76/11/437187611.db2.gz OHLLWJOQTLCYND-LDYMZIIASA-N 1 0 349.796 0.985 20 5 ECBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CCN1CC[NH2+]CC1 ZINC000320734906 437210348 /nfs/dbraw/zinc/21/03/48/437210348.db2.gz OIIVJTZPKRSFPR-UHFFFAOYSA-N 1 0 342.421 0.429 20 5 ECBDRO O=C([C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1)N1CCCC1 ZINC000287617373 437211736 /nfs/dbraw/zinc/21/17/36/437211736.db2.gz ZPEDHKFJGJECBL-OCCSQVGLSA-N 1 0 337.380 0.097 20 5 ECBDRO CC(C)(C)OC(=O)[C@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000178531227 437218326 /nfs/dbraw/zinc/21/83/26/437218326.db2.gz YKWNAETVHSSBEJ-AAEUAGOBSA-N 1 0 340.380 0.816 20 5 ECBDRO C[C@H]1OCC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000178683861 437224007 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0.947 20 5 ECBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000184510665 437404718 /nfs/dbraw/zinc/40/47/18/437404718.db2.gz ASINHVFYLDLUOZ-NSHDSACASA-N 1 0 337.380 0.451 20 5 ECBDRO CS(=O)(=O)c1cc(C(=O)NCC2=CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000186386179 437471246 /nfs/dbraw/zinc/47/12/46/437471246.db2.gz DDOXDFXLTDKSGA-UHFFFAOYSA-N 1 0 339.373 0.648 20 5 ECBDRO C[C@H](O)C[N@H+](CCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000289824675 437443749 /nfs/dbraw/zinc/44/37/49/437443749.db2.gz OIGKMDBIJJFDIT-JTQLQIEISA-N 1 0 329.328 0.738 20 5 ECBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000339274837 437452651 /nfs/dbraw/zinc/45/26/51/437452651.db2.gz JYFVTELWJJBMOT-VIFPVBQESA-N 1 0 344.393 0.312 20 5 ECBDRO O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N[C@@H]1CCC[NH2+]C1)OCCO2 ZINC000262770598 304801374 /nfs/dbraw/zinc/80/13/74/304801374.db2.gz VTSAIOQFIUUSSU-SECBINFHSA-N 1 0 343.361 0.396 20 5 ECBDRO NC(=O)c1cccc(N2CC[NH+](C[C@H]3CCOC3)CC2)c1[N+](=O)[O-] 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Cc1ccc(S(=O)(=O)NCCOCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000347150867 437840867 /nfs/dbraw/zinc/84/08/67/437840867.db2.gz CORUKONRTHULLU-UHFFFAOYSA-N 1 0 331.394 0.760 20 5 ECBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CC[NH+]([C@H]2CCSC2)CC1 ZINC000371286427 437910033 /nfs/dbraw/zinc/91/00/33/437910033.db2.gz CXQIJXPRUQSCKF-AWEZNQCLSA-N 1 0 338.433 0.880 20 5 ECBDRO CCOc1ccc(C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000347886638 437974812 /nfs/dbraw/zinc/97/48/12/437974812.db2.gz OPFZJMVBNPHDSC-ZDUSSCGKSA-N 1 0 336.392 0.969 20 5 ECBDRO O=C(NCC1=CC[NH2+]CC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000427603736 438083673 /nfs/dbraw/zinc/08/36/73/438083673.db2.gz WLGNOFSYTMHYJQ-LBPRGKRZSA-N 1 0 348.359 0.828 20 5 ECBDRO O=C(C[C@H]1C[NH2+]CCO1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000430773178 438120898 /nfs/dbraw/zinc/12/08/98/438120898.db2.gz RBGCENJAYLGDOL-YPMHNXCESA-N 1 0 335.364 0.381 20 5 ECBDRO O=C(CC[N@@H+]1CC[C@@H]2OCC(=O)N[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000366759148 438121979 /nfs/dbraw/zinc/12/19/79/438121979.db2.gz PLHMAJSZHYDMBG-KGLIPLIRSA-N 1 0 348.359 0.513 20 5 ECBDRO Cc1ccc(S(=O)(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000358189641 438177147 /nfs/dbraw/zinc/17/71/47/438177147.db2.gz BBCMHHRDJQEEOL-CYBMUJFWSA-N 1 0 329.378 0.248 20 5 ECBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358198400 438177791 /nfs/dbraw/zinc/17/77/91/438177791.db2.gz MLZFNEXRSBBZNP-CYBMUJFWSA-N 1 0 329.378 0.248 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCO[C@H]3C[NH2+]C[C@H]32)c(Cl)c1 ZINC000366988947 438151622 /nfs/dbraw/zinc/15/16/22/438151622.db2.gz NJENCXWOGWTYAO-MNOVXSKESA-N 1 0 347.780 0.610 20 5 ECBDRO C[NH+](C)CCOc1ccccc1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000349641328 438166886 /nfs/dbraw/zinc/16/68/86/438166886.db2.gz BSCZSFQGZDPDIJ-UHFFFAOYSA-N 1 0 348.363 0.443 20 5 ECBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000418861823 438222965 /nfs/dbraw/zinc/22/29/65/438222965.db2.gz FIRBEIZURUJERE-BXUZGUMPSA-N 1 0 334.376 0.510 20 5 ECBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000418875156 438230344 /nfs/dbraw/zinc/23/03/44/438230344.db2.gz VVRNYLBOSDOAEC-ZDUSSCGKSA-N 1 0 334.376 0.512 20 5 ECBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000351174039 438254683 /nfs/dbraw/zinc/25/46/83/438254683.db2.gz WUXKXAGOLFVLQT-NSHDSACASA-N 1 0 335.364 0.366 20 5 ECBDRO COc1ccc(CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000351541893 438284584 /nfs/dbraw/zinc/28/45/84/438284584.db2.gz QKKBKNHJGZCGPX-NSHDSACASA-N 1 0 336.348 0.088 20 5 ECBDRO C[C@@H](NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000418923246 438250421 /nfs/dbraw/zinc/25/04/21/438250421.db2.gz MQRDKPGDJNCEGJ-OCCSQVGLSA-N 1 0 348.403 0.758 20 5 ECBDRO COc1cc(OCC(=O)N2CCO[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000368413809 438326597 /nfs/dbraw/zinc/32/65/97/438326597.db2.gz TZJFIPZFLYYDGY-NSHDSACASA-N 1 0 325.321 0.168 20 5 ECBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000351731363 438326793 /nfs/dbraw/zinc/32/67/93/438326793.db2.gz RGOAVKNPENFPTD-DDTOSNHZSA-N 1 0 349.391 0.896 20 5 ECBDRO CC[NH2+][C@H](C)CNC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C ZINC000358919400 438331490 /nfs/dbraw/zinc/33/14/90/438331490.db2.gz XXYKCWAIIVECEW-MRVPVSSYSA-N 1 0 344.393 0.278 20 5 ECBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000419032184 438296857 /nfs/dbraw/zinc/29/68/57/438296857.db2.gz ARZHDUNBZPTTEP-TZMCWYRMSA-N 1 0 348.403 0.982 20 5 ECBDRO C[C@H]1CCN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000419036831 438299569 /nfs/dbraw/zinc/29/95/69/438299569.db2.gz HMFAVDJMJQREMC-GXTWGEPZSA-N 1 0 348.403 0.697 20 5 ECBDRO [NH3+]C[C@@H](NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000419043848 438302363 /nfs/dbraw/zinc/30/23/63/438302363.db2.gz SBLQFDXGHNDRAN-CQSZACIVSA-N 1 0 348.403 0.887 20 5 ECBDRO O=[N+]([O-])c1ccc(-c2noc(NCCCN3CC[NH2+]CC3)n2)cc1 ZINC000420115481 438389014 /nfs/dbraw/zinc/38/90/14/438389014.db2.gz KCIJWSRJEDETGF-UHFFFAOYSA-N 1 0 332.364 1.352 20 5 ECBDRO CN(C(=O)CN1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000352503894 438432171 /nfs/dbraw/zinc/43/21/71/438432171.db2.gz LFIMUPWRLVNLSX-MRXNPFEDSA-N 1 0 347.419 0.537 20 5 ECBDRO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369007094 438410427 /nfs/dbraw/zinc/41/04/27/438410427.db2.gz CETKFPYFJPVCPO-LBPRGKRZSA-N 1 0 345.425 0.758 20 5 ECBDRO CCO[C@@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000405830316 438471098 /nfs/dbraw/zinc/47/10/98/438471098.db2.gz ZGAIOCYSAQMANO-TZMCWYRMSA-N 1 0 343.405 0.720 20 5 ECBDRO Cc1n[nH]c(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1[N+](=O)[O-] ZINC000438284167 438474653 /nfs/dbraw/zinc/47/46/53/438474653.db2.gz YGWDRKDYNDPOAK-IJLUTSLNSA-N 1 0 337.380 0.950 20 5 ECBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@@H]2COC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000352791305 438476510 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O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000577190746 438822191 /nfs/dbraw/zinc/82/21/91/438822191.db2.gz RAKGXCDUBRSZDB-INIZCTEOSA-N 1 0 349.343 0.510 20 5 ECBDRO CNC(=O)c1ccc(N2CCC[C@@](O)(C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000601189945 438827378 /nfs/dbraw/zinc/82/73/78/438827378.db2.gz XLQQENWLVHULMW-MRXNPFEDSA-N 1 0 336.392 0.847 20 5 ECBDRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595630949 438837408 /nfs/dbraw/zinc/83/74/08/438837408.db2.gz DMEQLQMZIRKXIQ-MYPMTAMASA-N 1 0 342.396 0.308 20 5 ECBDRO CO[C@]1(CO)CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000595658459 438840620 /nfs/dbraw/zinc/84/06/20/438840620.db2.gz JLJYJUDYDXGRAT-CZUORRHYSA-N 1 0 340.376 0.808 20 5 ECBDRO O=C(NC[C@H]1CCCN(Cc2ncon2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000588843003 438843692 /nfs/dbraw/zinc/84/36/92/438843692.db2.gz JGFXPHHUZQXFDG-SNVBAGLBSA-N 1 0 334.336 0.948 20 5 ECBDRO C[NH+](C)C[C@H](CO)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 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345.363 0.905 20 5 ECBDRO NC(=O)c1ccc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c([N+](=O)[O-])c1 ZINC000596537903 438973504 /nfs/dbraw/zinc/97/35/04/438973504.db2.gz JMPDOXLGRGPCTP-CYBMUJFWSA-N 1 0 334.376 0.729 20 5 ECBDRO CN1CCN(C)[C@@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000579104039 438980437 /nfs/dbraw/zinc/98/04/37/438980437.db2.gz ZZMYSQDNTGLBLZ-KBPBESRZSA-N 1 0 338.408 0.170 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCO[C@@]3(CCSC3)C2)c1 ZINC000566066301 439001283 /nfs/dbraw/zinc/00/12/83/439001283.db2.gz LQNVHBJUZLRRRJ-OLZOCXBDSA-N 1 0 328.394 0.360 20 5 ECBDRO CCCN1C[C@@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O ZINC000566119274 439007694 /nfs/dbraw/zinc/00/76/94/439007694.db2.gz WKFNLZZSLAPOPD-YPMHNXCESA-N 1 0 325.369 0.000 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC[C@@H]2COc3ccccc3O2)c1 ZINC000566114277 439008312 /nfs/dbraw/zinc/00/83/12/439008312.db2.gz FAYFGCOMTJRTNG-ZIAGYGMSSA-N 1 0 348.359 0.972 20 5 ECBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000591362099 439009323 /nfs/dbraw/zinc/00/93/23/439009323.db2.gz HYBGWMGSKSQNKW-STQMWFEESA-N 1 0 348.407 0.949 20 5 ECBDRO COc1ccccc1[C@@H]([NH3+])CNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000591680815 439060676 /nfs/dbraw/zinc/06/06/76/439060676.db2.gz JRXFBJLWUGKQQZ-LBPRGKRZSA-N 1 0 333.348 0.925 20 5 ECBDRO NS(=O)(=O)c1ccc(N2CC[C@H]3CC[NH2+][C@@H]3C2)c([N+](=O)[O-])c1 ZINC000591438112 439015030 /nfs/dbraw/zinc/01/50/30/439015030.db2.gz LAHZAUSCRCRPFE-MWLCHTKSSA-N 1 0 326.378 0.430 20 5 ECBDRO C[C@@H]1CN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C[C@@H](C)[NH2+]1 ZINC000591578198 439023865 /nfs/dbraw/zinc/02/38/65/439023865.db2.gz QVKKKFUSAXFNJE-VXGBXAGGSA-N 1 0 346.387 0.688 20 5 ECBDRO Cc1nn(C)c(C)c1CCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000520798584 439093234 /nfs/dbraw/zinc/09/32/34/439093234.db2.gz XOBKFIJWRKGENW-AWEZNQCLSA-N 1 0 336.396 0.725 20 5 ECBDRO C[NH+](C)[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1O 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0.891 20 5 ECBDRO CN(CCC[NH+](C)C)CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000597989237 439207724 /nfs/dbraw/zinc/20/77/24/439207724.db2.gz ACYRYZSUEQAQSF-UHFFFAOYSA-N 1 0 340.428 0.526 20 5 ECBDRO CNc1nccc(C(=O)NCCN(C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000597990483 439208888 /nfs/dbraw/zinc/20/88/88/439208888.db2.gz XCGPRLCHLDKSCX-UHFFFAOYSA-N 1 0 338.412 0.645 20 5 ECBDRO COC(=O)c1cc(C(=O)N2CCCO[C@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000592343025 439210471 /nfs/dbraw/zinc/21/04/71/439210471.db2.gz ZIZFEZXPRXAZFJ-CYBMUJFWSA-N 1 0 337.332 0.571 20 5 ECBDRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000592368430 439212517 /nfs/dbraw/zinc/21/25/17/439212517.db2.gz JRZREJFFCIHFNS-JTQLQIEISA-N 1 0 329.378 0.833 20 5 ECBDRO C[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CO1 ZINC000592363287 439212882 /nfs/dbraw/zinc/21/28/82/439212882.db2.gz VSIJCAGNRHJEGB-QWRGUYRKSA-N 1 0 329.378 0.640 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000592375891 439214082 /nfs/dbraw/zinc/21/40/82/439214082.db2.gz SBFYYLZBZIDPHL-NXEZZACHSA-N 1 0 329.378 0.974 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000592376162 439214635 /nfs/dbraw/zinc/21/46/35/439214635.db2.gz ZRLXPZPDMQMOOG-MWLCHTKSSA-N 1 0 345.377 0.340 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000598186099 439238271 /nfs/dbraw/zinc/23/82/71/439238271.db2.gz LGGVXAFUGIINLA-UHFFFAOYSA-N 1 0 336.392 0.995 20 5 ECBDRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000598185405 439238492 /nfs/dbraw/zinc/23/84/92/439238492.db2.gz JHIQZNRHNHVAMW-UHFFFAOYSA-N 1 0 328.394 0.748 20 5 ECBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000581883784 439260725 /nfs/dbraw/zinc/26/07/25/439260725.db2.gz ZSLXTUCKAZPGHO-LBPRGKRZSA-N 1 0 346.347 0.284 20 5 ECBDRO Cc1ccccc1C[C@@H](CO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000581943701 439268613 /nfs/dbraw/zinc/26/86/13/439268613.db2.gz SPPYJDCRZQSDTI-GOEBONIOSA-N 1 0 334.376 0.654 20 5 ECBDRO C[N@@H+]1C[C@H]2CCN(C(=O)CNC(=O)Nc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000598901627 439323122 /nfs/dbraw/zinc/32/31/22/439323122.db2.gz AWILILAIWNMGCT-RISCZKNCSA-N 1 0 347.375 0.879 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000569449672 439331994 /nfs/dbraw/zinc/33/19/94/439331994.db2.gz NQUTUFHAKVHFBK-NEPJUHHUSA-N 1 0 344.389 0.501 20 5 ECBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000592881594 439295676 /nfs/dbraw/zinc/29/56/76/439295676.db2.gz UMYSQTFNOAEGLH-GFCCVEGCSA-N 1 0 334.376 0.716 20 5 ECBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000592881531 439296200 /nfs/dbraw/zinc/29/62/00/439296200.db2.gz SVOOPTYVAQIZFS-LLVKDONJSA-N 1 0 335.364 0.490 20 5 ECBDRO C[C@@](C[NH3+])(NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000598664824 439300401 /nfs/dbraw/zinc/30/04/01/439300401.db2.gz NMIMVTLHNQGCDR-HNNXBMFYSA-N 1 0 335.364 0.960 20 5 ECBDRO C[NH2+]CCOCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000599107965 439360323 /nfs/dbraw/zinc/36/03/23/439360323.db2.gz PUTORLSKKZBBAN-UHFFFAOYSA-N 1 0 333.366 0.118 20 5 ECBDRO Cc1ccc(C)c(S(=O)(=O)N(C)CCOCC[NH3+])c1[N+](=O)[O-] ZINC000599110054 439361481 /nfs/dbraw/zinc/36/14/81/439361481.db2.gz DTPARJYBBBGXPM-UHFFFAOYSA-N 1 0 331.394 0.807 20 5 ECBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)c1cccnc1[N+](=O)[O-])C2 ZINC000599111196 439361596 /nfs/dbraw/zinc/36/15/96/439361596.db2.gz KTDXZBMSRULEFW-BETUJISGSA-N 1 0 326.378 0.610 20 5 ECBDRO CC[NH2+]CC1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599098251 439355651 /nfs/dbraw/zinc/35/56/51/439355651.db2.gz SGGQUMYXIRKUFE-UHFFFAOYSA-N 1 0 331.398 0.339 20 5 ECBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCN1CC[C@H](O)C1 ZINC000599093248 439355983 /nfs/dbraw/zinc/35/59/83/439355983.db2.gz NEVZCRZJQPBSPU-WFASDCNBSA-N 1 0 336.392 0.968 20 5 ECBDRO C[C@]1(NC(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@H+](Cc2ccccc2)C1 ZINC000593342148 439369021 /nfs/dbraw/zinc/36/90/21/439369021.db2.gz KTEIGWYNJHGYET-INIZCTEOSA-N 1 0 344.375 0.967 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)nc1 ZINC000593531230 439393584 /nfs/dbraw/zinc/39/35/84/439393584.db2.gz PKVMKJMACIHDLM-NEPJUHHUSA-N 1 0 326.378 0.895 20 5 ECBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593551000 439401746 /nfs/dbraw/zinc/40/17/46/439401746.db2.gz PPEHDDXPUVNZTM-PWSUYJOCSA-N 1 0 328.394 0.951 20 5 ECBDRO O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1CCOc1ccccc1[N+](=O)[O-] ZINC000582962117 439402658 /nfs/dbraw/zinc/40/26/58/439402658.db2.gz IHFZQVLVHZDRIG-OAHLLOKOSA-N 1 0 334.332 0.648 20 5 ECBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593554297 439402628 /nfs/dbraw/zinc/40/26/28/439402628.db2.gz VFBDXAPXMNNPBL-NSHDSACASA-N 1 0 328.394 0.952 20 5 ECBDRO Cc1ccc(S(=O)(=O)N2CC(N3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000593650220 439435977 /nfs/dbraw/zinc/43/59/77/439435977.db2.gz WHRLPOVRRFBQKT-GFCCVEGCSA-N 1 0 341.389 0.343 20 5 ECBDRO CN(Cc1ccccc1)C(=O)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000583258410 439441185 /nfs/dbraw/zinc/44/11/85/439441185.db2.gz TVTZZULZEDKXDL-OAHLLOKOSA-N 1 0 347.375 0.400 20 5 ECBDRO C[C@H](NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000583576066 439484353 /nfs/dbraw/zinc/48/43/53/439484353.db2.gz BQXUVNFLVQBPFR-LEWSCRJBSA-N 1 0 347.375 0.609 20 5 ECBDRO O=C(N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000593906847 439492878 /nfs/dbraw/zinc/49/28/78/439492878.db2.gz XHFUDFHRTXQTRM-MKBNYLNASA-N 1 0 347.375 0.239 20 5 ECBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594420432 439558007 /nfs/dbraw/zinc/55/80/07/439558007.db2.gz TVCMXVXUYQDXMZ-STQMWFEESA-N 1 0 334.376 0.890 20 5 ECBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000609306843 439562574 /nfs/dbraw/zinc/56/25/74/439562574.db2.gz FIZBYXKCIQWSJG-CYBMUJFWSA-N 1 0 349.391 0.488 20 5 ECBDRO C[NH2+]CCOCCN(C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000599893688 439570854 /nfs/dbraw/zinc/57/08/54/439570854.db2.gz FUPVMSJSJKXAIM-UHFFFAOYSA-N 1 0 338.364 0.536 20 5 ECBDRO COc1cc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000599939529 439580632 /nfs/dbraw/zinc/58/06/32/439580632.db2.gz WKMPWQQLCZLDAN-OLZOCXBDSA-N 1 0 335.360 0.885 20 5 ECBDRO C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+](C)C ZINC000493086198 439601199 /nfs/dbraw/zinc/60/11/99/439601199.db2.gz DQQBFULINYNJKH-LZGFCCKTSA-N 1 0 334.376 0.791 20 5 ECBDRO O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000594754534 439602189 /nfs/dbraw/zinc/60/21/89/439602189.db2.gz LWCIQSLPFBBOIY-NSHDSACASA-N 1 0 326.378 0.752 20 5 ECBDRO Cc1c(NC(=O)C(=O)NCC[N@@H+]2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000600099609 439614349 /nfs/dbraw/zinc/61/43/49/439614349.db2.gz PEYFKTRFYPXIIQ-NSHDSACASA-N 1 0 336.348 0.025 20 5 ECBDRO Nc1cc(N2CC[NH+](C[C@@H]3CCOC3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000585707031 439645272 /nfs/dbraw/zinc/64/52/72/439645272.db2.gz IZGBTTNVRBHVQM-LBPRGKRZSA-N 1 0 336.392 0.828 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@]3(CC[NH2+]C3)C2)nc1 ZINC000595112184 439654544 /nfs/dbraw/zinc/65/45/44/439654544.db2.gz UXBKRJMNELOMKM-CYBMUJFWSA-N 1 0 326.378 0.754 20 5 ECBDRO Cc1n[nH]c(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000600409904 439654705 /nfs/dbraw/zinc/65/47/05/439654705.db2.gz IHBIICFPENJZPN-UHFFFAOYSA-N 1 0 337.380 0.953 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)nc1 ZINC000595121416 439655510 /nfs/dbraw/zinc/65/55/10/439655510.db2.gz ZYIPHILUSZAQMR-JTQLQIEISA-N 1 0 326.378 0.943 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC12CC(C1)C[NH2+]2 ZINC000595121912 439656862 /nfs/dbraw/zinc/65/68/62/439656862.db2.gz UTYMNDRJJZZQHW-UHFFFAOYSA-N 1 0 327.362 0.634 20 5 ECBDRO CCn1cc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])n1 ZINC000610939669 439659203 /nfs/dbraw/zinc/65/92/03/439659203.db2.gz GDFRUELOPOYIAT-UHFFFAOYSA-N 1 0 343.409 0.716 20 5 ECBDRO COc1ccc(NC(=O)C(=O)N(C)CC2C[NH+](C)C2)cc1[N+](=O)[O-] ZINC000595151885 439661968 /nfs/dbraw/zinc/66/19/68/439661968.db2.gz JJOXKGFVLXCISY-UHFFFAOYSA-N 1 0 336.348 0.562 20 5 ECBDRO Cc1nn(C)c(C(=O)N2CCC(OCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000330714285 320854859 /nfs/dbraw/zinc/85/48/59/320854859.db2.gz ZWSJRGRCNOQBHR-UHFFFAOYSA-N 1 0 339.396 0.820 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+](C)C(C)C ZINC000344813511 321165543 /nfs/dbraw/zinc/16/55/43/321165543.db2.gz MFAPGUVUGLNIEA-UHFFFAOYSA-N 1 0 338.364 0.998 20 5 ECBDRO C[C@H](C[NH+](C)C)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000346144009 321215817 /nfs/dbraw/zinc/21/58/17/321215817.db2.gz UCNFVSGUXCFNSX-GHMZBOCLSA-N 1 0 338.364 0.859 20 5 ECBDRO C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000346144012 321215952 /nfs/dbraw/zinc/21/59/52/321215952.db2.gz UCNFVSGUXCFNSX-WDEREUQCSA-N 1 0 338.364 0.859 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1COC[C@@H]1O ZINC000352795812 321372435 /nfs/dbraw/zinc/37/24/35/321372435.db2.gz FUPHLUJVJAOJKY-OLZOCXBDSA-N 1 0 339.348 0.624 20 5 ECBDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000360746898 321610414 /nfs/dbraw/zinc/61/04/14/321610414.db2.gz QJLHPEVQJCONSH-UHFFFAOYSA-N 1 0 325.369 0.293 20 5 ECBDRO CO[C@@H]1COCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000521863679 321979884 /nfs/dbraw/zinc/97/98/84/321979884.db2.gz ADPFOIZRZLPEHX-XJKCOSOUSA-N 1 0 340.376 0.976 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1CN1C(=O)N[C@@]2(CCC[NH2+]C2)C1=O ZINC000563081355 322296795 /nfs/dbraw/zinc/29/67/95/322296795.db2.gz WTAKIRHWNWYHFX-OAHLLOKOSA-N 1 0 334.332 0.777 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCN2CCC(O)CC2)c1 ZINC000563141529 322300659 /nfs/dbraw/zinc/30/06/59/322300659.db2.gz KXLDACMHPKRZSZ-OAHLLOKOSA-N 1 0 339.392 0.381 20 5 ECBDRO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NCC1CC[NH2+]CC1 ZINC000563145822 322301324 /nfs/dbraw/zinc/30/13/24/322301324.db2.gz COQXXYKESSGNJF-UHFFFAOYSA-N 1 0 349.391 0.510 20 5 ECBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000564947376 322412143 /nfs/dbraw/zinc/41/21/43/322412143.db2.gz MMXPQGUOWZLTQE-NSHDSACASA-N 1 0 330.348 0.986 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000568508788 322630842 /nfs/dbraw/zinc/63/08/42/322630842.db2.gz QHIZRIZWRCQCAQ-WCQYABFASA-N 1 0 334.376 0.829 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000569360620 322652231 /nfs/dbraw/zinc/65/22/31/322652231.db2.gz FMHGFCPDLSSHON-DGCLKSJQSA-N 1 0 334.376 0.829 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CCC(CC[NH3+])CC2)c([N+](=O)[O-])n1 ZINC000574994643 322788889 /nfs/dbraw/zinc/78/88/89/322788889.db2.gz CYXORJQBIFAWEH-UHFFFAOYSA-N 1 0 331.398 0.561 20 5 ECBDRO CN(C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CC[NH2+]C1 ZINC000575174058 322791887 /nfs/dbraw/zinc/79/18/87/322791887.db2.gz OBODPURWZKKNQJ-WDEREUQCSA-N 1 0 336.348 0.613 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H](O)CCc2ccccc2)c1 ZINC000576108270 322801809 /nfs/dbraw/zinc/80/18/09/322801809.db2.gz UUDKSQAONWPMIE-JKSUJKDBSA-N 1 0 334.376 0.736 20 5 ECBDRO NC(=O)C1CCC([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000578127211 322855413 /nfs/dbraw/zinc/85/54/13/322855413.db2.gz IOEFXSGENYYLMH-YIZWMMSDSA-N 1 0 337.376 0.968 20 5 ECBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000578133821 322855973 /nfs/dbraw/zinc/85/59/73/322855973.db2.gz VJOXZSLNEGMMKU-NXEZZACHSA-N 1 0 344.393 0.115 20 5 ECBDRO CC[N@H+](CCO)CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000183987490 528548147 /nfs/dbraw/zinc/54/81/47/528548147.db2.gz YVURQQFZQHUFFV-UHFFFAOYSA-N 1 0 348.363 0.220 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000619251683 546310698 /nfs/dbraw/zinc/31/06/98/546310698.db2.gz MAIBMWZRLWGWIG-LBPRGKRZSA-N 1 0 346.387 0.877 20 5 ECBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000619254966 546311784 /nfs/dbraw/zinc/31/17/84/546311784.db2.gz RBVIIBVARCJACN-INIZCTEOSA-N 1 0 336.392 0.922 20 5 ECBDRO Cc1nn(C)c(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000619253751 546311827 /nfs/dbraw/zinc/31/18/27/546311827.db2.gz FGZQQGOIOQWFFE-CQSZACIVSA-N 1 0 325.369 0.165 20 5 ECBDRO C[NH+](C)C1CC(NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 ZINC000619872938 546376442 /nfs/dbraw/zinc/37/64/42/546376442.db2.gz QCIPMINFBVBZFU-UHFFFAOYSA-N 1 0 341.389 0.821 20 5 ECBDRO Cc1c(C(=O)OCCC[NH+](C)C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000791910877 578895326 /nfs/dbraw/zinc/89/53/26/578895326.db2.gz FVNZMABLZZVUHV-UHFFFAOYSA-N 1 0 345.377 0.659 20 5 ECBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)NC1C[NH2+]C1 ZINC000841174701 588980972 /nfs/dbraw/zinc/98/09/72/588980972.db2.gz NMDDHWJECMWJSI-UHFFFAOYSA-N 1 0 343.137 0.384 20 5 ECBDRO O=C(NC[C@@H]1C[NH2+]CCO1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000842010859 589007804 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AMVCOZVNYSNPNQ-UHFFFAOYSA-N 1 0 331.350 0.221 20 5 ECBDRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000419987179 209269399 /nfs/dbraw/zinc/26/93/99/209269399.db2.gz DEBPYJCWMYLEES-JTQLQIEISA-N 1 0 336.348 0.038 20 5 ECBDRO C[C@@H]1COCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000192509154 239756710 /nfs/dbraw/zinc/75/67/10/239756710.db2.gz UCVPBLHZELQWTB-RISCZKNCSA-N 1 0 343.405 0.888 20 5 ECBDRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000419840760 209220441 /nfs/dbraw/zinc/22/04/41/209220441.db2.gz JJDNPYMIIKBZJJ-NSHDSACASA-N 1 0 348.359 0.053 20 5 ECBDRO Cc1c(CNC(=O)C(=O)NCCC[NH2+]C2CC2)cccc1[N+](=O)[O-] ZINC000419765875 209200124 /nfs/dbraw/zinc/20/01/24/209200124.db2.gz XVOPVQFYWAUOBN-UHFFFAOYSA-N 1 0 334.376 0.778 20 5 ECBDRO C[NH+](C)CC(=O)N1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000076946304 203367754 /nfs/dbraw/zinc/36/77/54/203367754.db2.gz HDZOSEJEOLVYNL-BQYQJAHWSA-N 1 0 346.387 0.840 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000262728016 245149572 /nfs/dbraw/zinc/14/95/72/245149572.db2.gz HPIRNESKEIKNJV-MJVIPROJSA-N 1 0 334.376 0.827 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000262773369 245171641 /nfs/dbraw/zinc/17/16/41/245171641.db2.gz BNNHSSKHTPPTCX-MDZLAQPJSA-N 1 0 334.376 0.970 20 5 ECBDRO CC(C)(C)[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000109332117 204282064 /nfs/dbraw/zinc/28/20/64/204282064.db2.gz OONJFWIUFMAJJA-YPMHNXCESA-N 1 0 325.365 0.824 20 5 ECBDRO CCCc1[nH]nc(C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000246901421 205242968 /nfs/dbraw/zinc/24/29/68/205242968.db2.gz XUDLKEJOELUHRQ-QWRGUYRKSA-N 1 0 339.396 0.798 20 5 ECBDRO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000130511763 205243673 /nfs/dbraw/zinc/24/36/73/205243673.db2.gz PGLNLUUPCLVPMB-AVGNSLFASA-N 1 0 337.376 0.968 20 5 ECBDRO Cc1n[nH]c(C(=O)NCC2CC[NH+](CCN(C)C)CC2)c1[N+](=O)[O-] ZINC000265100582 247200908 /nfs/dbraw/zinc/20/09/08/247200908.db2.gz HDKOBFJFYJGFJE-UHFFFAOYSA-N 1 0 338.412 0.630 20 5 ECBDRO CN1CC[NH2+]C[C@H]1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000449694521 211291015 /nfs/dbraw/zinc/29/10/15/211291015.db2.gz GTKMZNKVIRTDPM-ZDUSSCGKSA-N 1 0 333.392 0.803 20 5 ECBDRO CNS(=O)(=O)c1ccc(NC[C@@](C)(O)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000443697727 211032728 /nfs/dbraw/zinc/03/27/28/211032728.db2.gz YANYGTNKHMOANA-CYBMUJFWSA-N 1 0 346.409 0.227 20 5 ECBDRO Cc1cnn([C@H]2CCC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000174785876 207058432 /nfs/dbraw/zinc/05/84/32/207058432.db2.gz ZJNMPWZMHVLEGE-ZFWWWQNUSA-N 1 0 334.380 0.994 20 5 ECBDRO CO[C@@H](C)[C@@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000268865860 252315661 /nfs/dbraw/zinc/31/56/61/252315661.db2.gz WOGOJFLZBGURCN-MNOVXSKESA-N 1 0 331.394 0.886 20 5 ECBDRO CN(C)C(=O)[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000411939125 208175925 /nfs/dbraw/zinc/17/59/25/208175925.db2.gz ITLATIKJLJQEPK-LBPRGKRZSA-N 1 0 334.376 0.968 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c1 ZINC000411953471 208177010 /nfs/dbraw/zinc/17/70/10/208177010.db2.gz UGYVYTPFHHQVTI-BZUAXINKSA-N 1 0 332.360 0.960 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)c1 ZINC000411953474 208177634 /nfs/dbraw/zinc/17/76/34/208177634.db2.gz UGYVYTPFHHQVTI-OAGGEKHMSA-N 1 0 332.360 0.960 20 5 ECBDRO COC(=O)[C@@]1(C)CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000412073428 208197559 /nfs/dbraw/zinc/19/75/59/208197559.db2.gz QEUAKQCIIDBPIG-OCCSQVGLSA-N 1 0 326.353 0.427 20 5 ECBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C(C)(C)CN1CCOCC1 ZINC000412103414 208205382 /nfs/dbraw/zinc/20/53/82/208205382.db2.gz ZYEUGUDAKAUJRV-UHFFFAOYSA-N 1 0 338.408 0.799 20 5 ECBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000415903361 208595009 /nfs/dbraw/zinc/59/50/09/208595009.db2.gz YWZMUFHKJNORKI-UHFFFAOYSA-N 1 0 348.359 0.351 20 5 ECBDRO O=C(NC[C@H]1CCC[NH2+]1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000429086877 210296145 /nfs/dbraw/zinc/29/61/45/210296145.db2.gz HUPJKFHZRGXMLU-GHMZBOCLSA-N 1 0 336.348 0.661 20 5 ECBDRO C[NH+](C)C1(CNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000416291085 208618364 /nfs/dbraw/zinc/61/83/64/208618364.db2.gz NXWCCQUFQAPUCO-UHFFFAOYSA-N 1 0 346.343 0.401 20 5 ECBDRO [NH3+]C[C@@H]1CCCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000428622307 210274060 /nfs/dbraw/zinc/27/40/60/210274060.db2.gz RJCDZJFBUPZCQO-LBPRGKRZSA-N 1 0 334.376 0.912 20 5 ECBDRO Cc1c(CNC(=O)NCCCN2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000418084022 208773805 /nfs/dbraw/zinc/77/38/05/208773805.db2.gz UJBDFMDGMPJPQA-UHFFFAOYSA-N 1 0 335.408 0.998 20 5 ECBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000418862381 208883864 /nfs/dbraw/zinc/88/38/64/208883864.db2.gz FYGJHOIMUSJZBY-BXUZGUMPSA-N 1 0 334.376 0.368 20 5 ECBDRO C[C@@H](NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1[N+](=O)[O-] ZINC000419154566 209004344 /nfs/dbraw/zinc/00/43/44/209004344.db2.gz RSOXHJMDEBKXMZ-PXAZEXFGSA-N 1 0 346.387 0.984 20 5 ECBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000269299232 255561247 /nfs/dbraw/zinc/56/12/47/255561247.db2.gz WZFNLHLWVQCFIK-GXTWGEPZSA-N 1 0 334.376 0.958 20 5 ECBDRO [NH3+]C[C@@H](NC(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000419169380 209010124 /nfs/dbraw/zinc/01/01/24/209010124.db2.gz ULVRXCHJIQWSRR-GFCCVEGCSA-N 1 0 340.767 0.718 20 5 ECBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N2C[C@H](C)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000419241301 209038438 /nfs/dbraw/zinc/03/84/38/209038438.db2.gz BSRVQSPKJNHVSA-GMXVVIOVSA-N 1 0 334.376 0.886 20 5 ECBDRO C[NH2+]CCN(C)C(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000419342199 209064166 /nfs/dbraw/zinc/06/41/66/209064166.db2.gz ANKSHZDLCNEYKB-UHFFFAOYSA-N 1 0 336.392 0.712 20 5 ECBDRO C[NH+](C)[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000058049780 296606637 /nfs/dbraw/zinc/60/66/37/296606637.db2.gz IVQTVGMVLLRFPZ-ZDUSSCGKSA-N 1 0 332.364 0.475 20 5 ECBDRO C[NH+](C)CCN1C[C@H](C(=O)NCc2cccc([N+](=O)[O-])c2)CC1=O ZINC000073100336 296614247 /nfs/dbraw/zinc/61/42/47/296614247.db2.gz AZHMBOOZACWOCC-CYBMUJFWSA-N 1 0 334.376 0.621 20 5 ECBDRO C[C@@H](O)CNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000271056837 296750322 /nfs/dbraw/zinc/75/03/22/296750322.db2.gz ASXKYCUFUPXQOE-SNVBAGLBSA-N 1 0 346.409 0.227 20 5 ECBDRO O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000293510972 296790584 /nfs/dbraw/zinc/79/05/84/296790584.db2.gz TUAOAKOYAGDQAW-RISCZKNCSA-N 1 0 342.359 1.000 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1CC[NH+](C)CC1 ZINC000298477666 296839477 /nfs/dbraw/zinc/83/94/77/296839477.db2.gz DWVYQSCYZUHYBX-UHFFFAOYSA-N 1 0 329.378 0.976 20 5 ECBDRO CC[NH+]1CCN(CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000193101285 165053165 /nfs/dbraw/zinc/05/31/65/165053165.db2.gz YYPOOCFVWFXHSF-UHFFFAOYSA-N 1 0 342.421 0.511 20 5 ECBDRO COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000248957562 165192195 /nfs/dbraw/zinc/19/21/95/165192195.db2.gz ATYVCLHCGGGASB-RAIGVLPGSA-N 1 0 326.353 0.283 20 5 ECBDRO COC[C@@]1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C)CCC[NH2+]1 ZINC000261843433 165251534 /nfs/dbraw/zinc/25/15/34/165251534.db2.gz IWVLEOKSCPCIOJ-AWEZNQCLSA-N 1 0 343.405 0.950 20 5 ECBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000261871039 165255099 /nfs/dbraw/zinc/25/50/99/165255099.db2.gz SGUPEAIGEJESPM-MNOVXSKESA-N 1 0 330.348 0.985 20 5 ECBDRO CCC[NH2+]CCNC(=O)[C@H](CC)Nc1c([N+](=O)[O-])c(C)nn1C ZINC000261892618 165259880 /nfs/dbraw/zinc/25/98/80/165259880.db2.gz QUEYQPILNJEIQK-NSHDSACASA-N 1 0 326.401 0.943 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CCC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261977343 165271299 /nfs/dbraw/zinc/27/12/99/165271299.db2.gz QYDUCRAVPYFSMN-JTQLQIEISA-N 1 0 329.378 0.963 20 5 ECBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H]2C[NH2+]CCO2)c1C ZINC000262361064 165337123 /nfs/dbraw/zinc/33/71/23/165337123.db2.gz WLXULUVYQAYHDM-LBPRGKRZSA-N 1 0 329.378 0.478 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262390102 165342478 /nfs/dbraw/zinc/34/24/78/165342478.db2.gz YSGJLKNZEPIZCR-CYBMUJFWSA-N 1 0 334.376 0.723 20 5 ECBDRO CC[NH2+][C@H](C)CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000262442822 165350227 /nfs/dbraw/zinc/35/02/27/165350227.db2.gz HYYHBVHHTXFKHZ-SECBINFHSA-N 1 0 329.378 0.726 20 5 ECBDRO COc1c(F)cc(S(=O)(=O)NC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000262799788 165390155 /nfs/dbraw/zinc/39/01/55/165390155.db2.gz VEBTXBJMBSJHSV-UHFFFAOYSA-N 1 0 333.341 0.773 20 5 ECBDRO CNS(=O)(=O)c1ccc(N2CC[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC000302740288 296900419 /nfs/dbraw/zinc/90/04/19/296900419.db2.gz CMLYYPDIDFKZAD-UHFFFAOYSA-N 1 0 340.405 0.787 20 5 ECBDRO CS[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H]1[NH+]1CCCC1 ZINC000331374221 296924140 /nfs/dbraw/zinc/92/41/40/296924140.db2.gz CLRGEEXNEYMKQP-MNOVXSKESA-N 1 0 340.409 0.225 20 5 ECBDRO Cc1c(F)cc(S(=O)(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC000331796879 296969391 /nfs/dbraw/zinc/96/93/91/296969391.db2.gz IWGYNIDCTQRPJS-QWHCGFSZSA-N 1 0 345.352 0.404 20 5 ECBDRO COc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000272953634 263381477 /nfs/dbraw/zinc/38/14/77/263381477.db2.gz QOXVKCWOSKNWSE-NSHDSACASA-N 1 0 336.348 0.752 20 5 ECBDRO COc1ccc(NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000272968265 263383609 /nfs/dbraw/zinc/38/36/09/263383609.db2.gz SMWMNBQGAIUTMP-JTQLQIEISA-N 1 0 338.364 0.998 20 5 ECBDRO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000286277246 264385984 /nfs/dbraw/zinc/38/59/84/264385984.db2.gz VUEOZMYUPFLCSJ-JTQLQIEISA-N 1 0 325.369 0.483 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCC[N@@H+](C)CCN(C)C ZINC000288786281 264541850 /nfs/dbraw/zinc/54/18/50/264541850.db2.gz 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COc1ccc(Cn2cnc3c(c2=O)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000578354086 438916742 /nfs/dbraw/zinc/91/67/42/438916742.db2.gz KVLWYKVBACVFCK-UHFFFAOYSA-N 1 0 330.344 0.897 20 5 ECBDRO O=C1NCCc2ccc(C[NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)cc21 ZINC000516646677 438917825 /nfs/dbraw/zinc/91/78/25/438917825.db2.gz ISRGDGBQTCBVMG-AWEZNQCLSA-N 1 0 345.359 0.228 20 5 ECBDRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000590400493 438918001 /nfs/dbraw/zinc/91/80/01/438918001.db2.gz VBWHXFMEKWKCMO-WCQYABFASA-N 1 0 336.348 0.631 20 5 ECBDRO CN(CC(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1)c1ccccc1[N+](=O)[O-] ZINC000590551476 438931025 /nfs/dbraw/zinc/93/10/25/438931025.db2.gz YIHTVXOYNDWSAZ-ZIAGYGMSSA-N 1 0 348.403 0.699 20 5 ECBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000590548419 438931306 /nfs/dbraw/zinc/93/13/06/438931306.db2.gz CZDAXCGGNDMBPC-LBPRGKRZSA-N 1 0 333.348 0.433 20 5 ECBDRO NC(=O)[C@@H]1CC[C@@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])O1 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C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3cccnc3[N+](=O)[O-])C2)C1 ZINC000566722312 439082779 /nfs/dbraw/zinc/08/27/79/439082779.db2.gz RXCUQMSHSZLYGB-CYBMUJFWSA-N 1 0 326.378 0.706 20 5 ECBDRO CO[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000591769531 439083071 /nfs/dbraw/zinc/08/30/71/439083071.db2.gz MNJPHLXUCVAINR-JKSUJKDBSA-N 1 0 334.376 1.000 20 5 ECBDRO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000580706222 439120888 /nfs/dbraw/zinc/12/08/88/439120888.db2.gz SGGLTNNTOVTAAL-NSHDSACASA-N 1 0 338.364 0.062 20 5 ECBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@H]1CCC[NH2+]CC1 ZINC000592330565 439205900 /nfs/dbraw/zinc/20/59/00/439205900.db2.gz SFKOZQLDCJSMJV-NSHDSACASA-N 1 0 348.359 0.579 20 5 ECBDRO Cc1cc(S(=O)(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000592373814 439213039 /nfs/dbraw/zinc/21/30/39/439213039.db2.gz CROBYEUYMBBMCK-ZWNOBZJWSA-N 1 0 329.378 0.640 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000592381474 439215488 /nfs/dbraw/zinc/21/54/88/439215488.db2.gz PHZDNXOUOMQWJD-GHMZBOCLSA-N 1 0 341.389 0.976 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H](CO)[C@@H]1CCOC1 ZINC000592432150 439227784 /nfs/dbraw/zinc/22/77/84/439227784.db2.gz GEMNKUNSNLSXDQ-HZSPNIEDSA-N 1 0 340.376 0.569 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1Cn1cc(CN2CC[NH2+]CC2)nn1 ZINC000603244252 439216872 /nfs/dbraw/zinc/21/68/72/439216872.db2.gz QISHMVBFBHOYMY-UHFFFAOYSA-N 1 0 332.364 0.648 20 5 ECBDRO CN(CCN1CC[NH2+]CC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000592469431 439234742 /nfs/dbraw/zinc/23/47/42/439234742.db2.gz OZTXZWVTXYHERJ-UHFFFAOYSA-N 1 0 325.344 0.293 20 5 ECBDRO COc1ccc(NC(=O)CN2CCO[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000592474823 439235666 /nfs/dbraw/zinc/23/56/66/439235666.db2.gz DFHJKQCERWUDME-YGRLFVJLSA-N 1 0 338.364 0.590 20 5 ECBDRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000592555984 439252364 /nfs/dbraw/zinc/25/23/64/439252364.db2.gz ZEXREPXNGJFMNF-GFCCVEGCSA-N 1 0 347.331 0.448 20 5 ECBDRO C[C@H]1COCCN1CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000582057279 439284308 /nfs/dbraw/zinc/28/43/08/439284308.db2.gz BYTYYQQRORFXFE-DZGCQCFKSA-N 1 0 339.392 0.645 20 5 ECBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)CNC(=O)Nc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000598901629 439323326 /nfs/dbraw/zinc/32/33/26/439323326.db2.gz AWILILAIWNMGCT-SMDDNHRTSA-N 1 0 347.375 0.879 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593000142 439329823 /nfs/dbraw/zinc/32/98/23/439329823.db2.gz WAFUDYMDOQGKHN-KGLIPLIRSA-N 1 0 337.376 0.085 20 5 ECBDRO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000598665915 439299614 /nfs/dbraw/zinc/29/96/14/439299614.db2.gz SXVGGIPDBRYTAV-SMDDNHRTSA-N 1 0 347.375 0.927 20 5 ECBDRO C[C@H](COCC(F)(F)F)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000569111835 439307665 /nfs/dbraw/zinc/30/76/65/439307665.db2.gz XQTOTIMSXIRPDC-SCZZXKLOSA-N 1 0 326.275 0.709 20 5 ECBDRO Cc1ccc(S(=O)(=O)N2CCO[C@@H](C[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000598716220 439307706 /nfs/dbraw/zinc/30/77/06/439307706.db2.gz BQVBTIMBKHQSED-NSHDSACASA-N 1 0 329.378 0.560 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H](CO)[C@H]1CCCOC1 ZINC000582486391 439340757 /nfs/dbraw/zinc/34/07/57/439340757.db2.gz LLGZLRXCHRFKIE-BFHYXJOUSA-N 1 0 340.376 0.712 20 5 ECBDRO Cc1ccc(C)c(S(=O)(=O)NCC2([NH3+])CCOCC2)c1[N+](=O)[O-] ZINC000599104187 439358757 /nfs/dbraw/zinc/35/87/57/439358757.db2.gz SUXHVOLYMSEXSU-UHFFFAOYSA-N 1 0 343.405 0.998 20 5 ECBDRO CN1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000582727285 439374322 /nfs/dbraw/zinc/37/43/22/439374322.db2.gz GAPJYSDGVHHCAP-CYBMUJFWSA-N 1 0 342.421 0.042 20 5 ECBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000599245854 439398282 /nfs/dbraw/zinc/39/82/82/439398282.db2.gz YHIXJNKRAGBPRI-WDEREUQCSA-N 1 0 345.425 0.822 20 5 ECBDRO O=[N+]([O-])c1cc2c(cc1CN1CC([N@@H+]3CC[C@@H](O)C3)C1)OCCO2 ZINC000593680376 439445460 /nfs/dbraw/zinc/44/54/60/439445460.db2.gz SLZXOAODJBYFIZ-CYBMUJFWSA-N 1 0 335.360 0.617 20 5 ECBDRO CNC(=O)CCC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000583317621 439447429 /nfs/dbraw/zinc/44/74/29/439447429.db2.gz QQDYHEBVHYDGRP-UHFFFAOYSA-N 1 0 329.378 0.484 20 5 ECBDRO CCO[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000593736766 439458845 /nfs/dbraw/zinc/45/88/45/439458845.db2.gz HVINGAAWSQQLGZ-IUODEOHRSA-N 1 0 336.392 0.853 20 5 ECBDRO C[C@]1(CO)C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@]1(C)CO ZINC000599624809 439520785 /nfs/dbraw/zinc/52/07/85/439520785.db2.gz WUHNNNBJDHALKV-GASCZTMLSA-N 1 0 325.365 0.069 20 5 ECBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCCC[NH2+]C1CC1 ZINC000583873265 439522706 /nfs/dbraw/zinc/52/27/06/439522706.db2.gz HQCASPYTVSZJTE-UHFFFAOYSA-N 1 0 334.376 0.973 20 5 ECBDRO C[C@H]1CN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C[C@H]1[NH3+] ZINC000583988739 439535638 /nfs/dbraw/zinc/53/56/38/439535638.db2.gz ZPUMFAFNMRATRP-GXFFZTMASA-N 1 0 332.360 0.285 20 5 ECBDRO CNc1nccc(C(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c1[N+](=O)[O-] ZINC000594333115 439543079 /nfs/dbraw/zinc/54/30/79/439543079.db2.gz UNSYNVAAPQXCNS-MNOVXSKESA-N 1 0 339.421 1.149 20 5 ECBDRO CCOc1ccc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594393436 439553811 /nfs/dbraw/zinc/55/38/11/439553811.db2.gz MUVOSUXXQCCHPN-QWHCGFSZSA-N 1 0 335.360 0.885 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000599891530 439570539 /nfs/dbraw/zinc/57/05/39/439570539.db2.gz NGNGHXCKORWZCC-ZDUSSCGKSA-N 1 0 348.359 0.943 20 5 ECBDRO CCC(=O)N1CC[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000572393697 439578307 /nfs/dbraw/zinc/57/83/07/439578307.db2.gz ULXIGTOBGBAGGV-QWHCGFSZSA-N 1 0 337.376 0.935 20 5 ECBDRO CNc1ccc(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000599936807 439578555 /nfs/dbraw/zinc/57/85/55/439578555.db2.gz CANBKGUETCHHSZ-QWHCGFSZSA-N 1 0 334.376 0.918 20 5 ECBDRO COc1ccc(CC(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000599938345 439579465 /nfs/dbraw/zinc/57/94/65/439579465.db2.gz NTPLBMYTKIDXEV-ZIAGYGMSSA-N 1 0 349.387 0.813 20 5 ECBDRO Cc1c(CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000594619433 439581037 /nfs/dbraw/zinc/58/10/37/439581037.db2.gz OJHNIQKIIFSLTG-XBXGTLAGSA-N 1 0 348.403 0.976 20 5 ECBDRO CC(C)(C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1)n1cc([N+](=O)[O-])cn1 ZINC000599938935 439581509 /nfs/dbraw/zinc/58/15/09/439581509.db2.gz STKZNWIKTBAVHA-YPMHNXCESA-N 1 0 337.380 0.194 20 5 ECBDRO COCC[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000594732823 439597239 /nfs/dbraw/zinc/59/72/39/439597239.db2.gz OJYKIVKSMHSUNC-LBPRGKRZSA-N 1 0 335.364 0.792 20 5 ECBDRO Cn1ncc(C2CCC2)c1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000594733309 439599544 /nfs/dbraw/zinc/59/95/44/439599544.db2.gz VFZNWHNXLAQTJT-CYBMUJFWSA-N 1 0 334.380 0.943 20 5 ECBDRO Cc1c(NC(=O)C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000600070696 439608404 /nfs/dbraw/zinc/60/84/04/439608404.db2.gz PEYFKTRFYPXIIQ-LLVKDONJSA-N 1 0 336.348 0.025 20 5 ECBDRO C[NH2+]C[C@@H]1CCN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000572876710 439616053 /nfs/dbraw/zinc/61/60/53/439616053.db2.gz VSWZXMLKYAYZSI-LBPRGKRZSA-N 1 0 334.376 0.701 20 5 ECBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCC(=O)N2)cc1[N+](=O)[O-] ZINC000594986310 439646181 /nfs/dbraw/zinc/64/61/81/439646181.db2.gz DGGJZNUQMUTJRM-NSHDSACASA-N 1 0 337.332 0.515 20 5 ECBDRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)C[C@H]21 ZINC000595109081 439655047 /nfs/dbraw/zinc/65/50/47/439655047.db2.gz XZMDINVLGIIEOO-YUSALJHKSA-N 1 0 326.378 0.738 20 5 ECBDRO Nc1cc(N2CC[NH+](C[C@H]3CCCO3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000586986559 439666488 /nfs/dbraw/zinc/66/64/88/439666488.db2.gz ZYIXIDZJGONLJB-CQSZACIVSA-N 1 0 336.392 0.970 20 5 ECBDRO CN(CCC[NH+](C)C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000594822271 439622210 /nfs/dbraw/zinc/62/22/10/439622210.db2.gz UZWQHTUUGMRBNQ-UHFFFAOYSA-N 1 0 344.437 0.757 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H](O)[C@@H]2CCCO2)c1 ZINC000600761010 439700598 /nfs/dbraw/zinc/70/05/98/439700598.db2.gz VUXNKUKAYBVZPN-YUELXQCFSA-N 1 0 326.349 0.464 20 5 ECBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595242088 439679385 /nfs/dbraw/zinc/67/93/85/439679385.db2.gz QMRCCSSDVDHTMV-VXGBXAGGSA-N 1 0 338.339 0.993 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000600669451 439687503 /nfs/dbraw/zinc/68/75/03/439687503.db2.gz NAGYRAHWZJZKKU-YABSGUDNSA-N 1 0 341.389 0.784 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)n1 ZINC000611335004 439691752 /nfs/dbraw/zinc/69/17/52/439691752.db2.gz XPOFVDXUKMVRSO-LBPRGKRZSA-N 1 0 336.396 0.180 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)n1 ZINC000271473516 320552466 /nfs/dbraw/zinc/55/24/66/320552466.db2.gz ZFZFCDZLKJUZIR-UHFFFAOYSA-N 1 0 348.363 0.594 20 5 ECBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289199153 320664286 /nfs/dbraw/zinc/66/42/86/320664286.db2.gz JNSZQXJCYVYNPG-CYBMUJFWSA-N 1 0 334.376 0.480 20 5 ECBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000316897373 320708374 /nfs/dbraw/zinc/70/83/74/320708374.db2.gz DHJYCEZMEDGKTB-GFCCVEGCSA-N 1 0 328.394 0.167 20 5 ECBDRO COc1cc(C(=O)NC[C@H]2C[NH2+]CCO2)c([N+](=O)[O-])cc1OC ZINC000322599735 320718382 /nfs/dbraw/zinc/71/83/82/320718382.db2.gz LWAQAKKRADGTLR-SECBINFHSA-N 1 0 325.321 0.330 20 5 ECBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000330940441 320874817 /nfs/dbraw/zinc/87/48/17/320874817.db2.gz CLUGQEVQZACQGV-NWDGAFQWSA-N 1 0 338.412 0.990 20 5 ECBDRO Cc1ccncc1N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000340107573 321017155 /nfs/dbraw/zinc/01/71/55/321017155.db2.gz YGNONZKYJMOSIY-HNNXBMFYSA-N 1 0 346.391 0.678 20 5 ECBDRO C[N@@H+]1CC[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)[C@H]1c1ccccc1 ZINC000340378294 321037573 /nfs/dbraw/zinc/03/75/73/321037573.db2.gz QBGXONAKQIUAOM-GXTWGEPZSA-N 1 0 330.348 0.748 20 5 ECBDRO CC(=O)NC1CCC([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000344133930 321141802 /nfs/dbraw/zinc/14/18/02/321141802.db2.gz ZCMVDXQORKMADN-SSDMNJCBSA-N 1 0 339.396 0.531 20 5 ECBDRO CCn1cc(S(=O)(=O)NCC(C)(C)C[NH+](C)C)c([N+](=O)[O-])n1 ZINC000353415615 321390782 /nfs/dbraw/zinc/39/07/82/321390782.db2.gz VXWGCSVMEDILEK-UHFFFAOYSA-N 1 0 333.414 0.677 20 5 ECBDRO CNC(=O)CC[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000353735850 321411351 /nfs/dbraw/zinc/41/13/51/321411351.db2.gz IJXPYCJFTNADOV-UHFFFAOYSA-N 1 0 325.321 0.372 20 5 ECBDRO C[NH+]1CCC(NC(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000559388063 322219280 /nfs/dbraw/zinc/21/92/80/322219280.db2.gz LOQIOWCXIGHYJT-UHFFFAOYSA-N 1 0 346.387 0.690 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H](O)COc2ccccc2)c1 ZINC000562449924 322274808 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ZINC000369348471 438457429 /nfs/dbraw/zinc/45/74/29/438457429.db2.gz SZBRMGVZVDFOGA-AWEZNQCLSA-N 1 0 348.403 0.731 20 5 ECBDRO COc1ccc(C[NH2+][C@H]2CCN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000400219297 438457950 /nfs/dbraw/zinc/45/79/50/438457950.db2.gz WKGYWVRBVHDRIF-NSHDSACASA-N 1 0 329.378 0.727 20 5 ECBDRO CC(C)[NH+]1CCN([C@@H]2CCN(Cc3c([N+](=O)[O-])ncn3C)C2)CC1 ZINC000370047681 438547099 /nfs/dbraw/zinc/54/70/99/438547099.db2.gz ZJUNXVOYNBASDO-CQSZACIVSA-N 1 0 336.440 0.929 20 5 ECBDRO CCO[C@@H]1COC[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000451949297 438619863 /nfs/dbraw/zinc/61/98/63/438619863.db2.gz WNVWCZMCNBOMGE-YWPYICTPSA-N 1 0 326.349 0.728 20 5 ECBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCC[N@H+]1CCO ZINC000452387307 438660615 /nfs/dbraw/zinc/66/06/15/438660615.db2.gz GVBDFUDGIPTKJW-ZDUSSCGKSA-N 1 0 337.376 0.937 20 5 ECBDRO CC(C)(C(=O)NC[C@@H]1CCCC[N@@H+]1CCO)n1cc([N+](=O)[O-])cn1 ZINC000452797302 438674296 /nfs/dbraw/zinc/67/42/96/438674296.db2.gz MNOPYFNCVIYSRD-LBPRGKRZSA-N 1 0 339.396 0.489 20 5 ECBDRO C[NH2+]C1CCN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000423298952 438657423 /nfs/dbraw/zinc/65/74/23/438657423.db2.gz AYTQMCZBYICDGV-UHFFFAOYSA-N 1 0 346.387 0.690 20 5 ECBDRO C[C@@H]1CN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]1 ZINC000423298442 438658024 /nfs/dbraw/zinc/65/80/24/438658024.db2.gz ABHHLHTZCUHYGN-LLVKDONJSA-N 1 0 332.360 0.300 20 5 ECBDRO O=C1NCC[C@@]12CCC[N@H+]2C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000575811683 438755961 /nfs/dbraw/zinc/75/59/61/438755961.db2.gz CMBCCZCYGGRPAV-BBRMVZONSA-N 1 0 335.360 0.689 20 5 ECBDRO CNc1nc(C(=O)N(C)C[C@@H]2C[C@H](OC)C[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000456046606 438756582 /nfs/dbraw/zinc/75/65/82/438756582.db2.gz GHJSQFHRPFTFKW-QWRGUYRKSA-N 1 0 337.380 0.823 20 5 ECBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)CC2)C1 ZINC000587979564 438811948 /nfs/dbraw/zinc/81/19/48/438811948.db2.gz JKHWNGDJXMYRNP-CQSZACIVSA-N 1 0 349.435 0.886 20 5 ECBDRO CC(C)[N@H+](C)C[C@H](O)CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000595524521 438816252 /nfs/dbraw/zinc/81/62/52/438816252.db2.gz WNOLWKPYCNFJQV-AWEZNQCLSA-N 1 0 337.424 0.813 20 5 ECBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](CO)Cc1ccccc1 ZINC000595598779 438831006 /nfs/dbraw/zinc/83/10/06/438831006.db2.gz WPQZEFMDKXGSQV-ZBFHGGJFSA-N 1 0 334.376 0.688 20 5 ECBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)c([N+](=O)[O-])c1 ZINC000595608753 438834794 /nfs/dbraw/zinc/83/47/94/438834794.db2.gz VMLJKNSKPQPWRZ-LLVKDONJSA-N 1 0 330.348 0.807 20 5 ECBDRO CCOC(=O)c1cc(C(=O)N[C@@H](CO)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000588866207 438845220 /nfs/dbraw/zinc/84/52/20/438845220.db2.gz HPMDFEIUORDITB-GFCCVEGCSA-N 1 0 339.348 0.424 20 5 ECBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000578133824 438898559 /nfs/dbraw/zinc/89/85/59/438898559.db2.gz VJOXZSLNEGMMKU-ZJUUUORDSA-N 1 0 344.393 0.115 20 5 ECBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[C@@H]2C1 ZINC000590044078 438900071 /nfs/dbraw/zinc/90/00/71/438900071.db2.gz GNLZRIIGGCAQIT-XHDPSFHLSA-N 1 0 342.359 0.952 20 5 ECBDRO [NH3+]CCn1cc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)nn1 ZINC000595960239 438900429 /nfs/dbraw/zinc/90/04/29/438900429.db2.gz XLQPHDMAIRAARL-UHFFFAOYSA-N 1 0 330.348 0.950 20 5 ECBDRO C[C@]1(NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[NH2+]C1 ZINC000595990734 438908539 /nfs/dbraw/zinc/90/85/39/438908539.db2.gz DQBOJXYJPNOSCK-AWEZNQCLSA-N 1 0 338.389 0.654 20 5 ECBDRO Cn1ccnc1C(=O)c1ccc(N[C@H](CO)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000589101528 438856279 /nfs/dbraw/zinc/85/62/79/438856279.db2.gz HPVWRYPOJTVWLL-LBPRGKRZSA-N 1 0 347.375 0.894 20 5 ECBDRO CC[C@H]([NH2+]C)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000595920797 438884296 /nfs/dbraw/zinc/88/42/96/438884296.db2.gz WQZXIGUYTPKACA-JTQLQIEISA-N 1 0 340.405 0.939 20 5 ECBDRO C[NH+](C)C1CC(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000590356239 438913796 /nfs/dbraw/zinc/91/37/96/438913796.db2.gz TWSIAOFXEUFCDL-UHFFFAOYSA-N 1 0 334.376 0.924 20 5 ECBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](CO)C[NH+](C)C)c1 ZINC000590548968 438930132 /nfs/dbraw/zinc/93/01/32/438930132.db2.gz JBQUCRSGEOELFT-GFCCVEGCSA-N 1 0 325.365 0.711 20 5 ECBDRO C[C@@H]1CN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1C ZINC000596179910 438936060 /nfs/dbraw/zinc/93/60/60/438936060.db2.gz UYFYORSLENWNAR-ZJUUUORDSA-N 1 0 328.394 0.771 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@](O)(CO)C2)c1 ZINC000459652097 438983552 /nfs/dbraw/zinc/98/35/52/438983552.db2.gz QBQQNWBPJIQAQE-ZFWWWQNUSA-N 1 0 326.349 0.154 20 5 ECBDRO COc1ccc(OCC[N@@H+]2CCC[C@](O)(CO)C2)c([N+](=O)[O-])c1 ZINC000459651719 438985241 /nfs/dbraw/zinc/98/52/41/438985241.db2.gz VNMHUIMVCMVGIR-OAHLLOKOSA-N 1 0 326.349 0.801 20 5 ECBDRO COc1ccc(CNC(=O)N2CCN(C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000518496559 439000668 /nfs/dbraw/zinc/00/06/68/439000668.db2.gz QMPDGUZZBOTKQQ-GFCCVEGCSA-N 1 0 337.380 0.388 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591304783 439000824 /nfs/dbraw/zinc/00/08/24/439000824.db2.gz OSTFVFKPYYFYFX-ZWNOBZJWSA-N 1 0 348.359 0.752 20 5 ECBDRO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000519715747 439056835 /nfs/dbraw/zinc/05/68/35/439056835.db2.gz WCVHOGYQSJBQBW-UHFFFAOYSA-N 1 0 326.378 0.882 20 5 ECBDRO [NH3+]C[C@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCCO1 ZINC000566208605 439026137 /nfs/dbraw/zinc/02/61/37/439026137.db2.gz KDNKGXUXEKGTDI-ZDUSSCGKSA-N 1 0 346.347 0.365 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCN2CCCOCC2)c1 ZINC000519536576 439039186 /nfs/dbraw/zinc/03/91/86/439039186.db2.gz DPCGZXWNSAOGMU-OAHLLOKOSA-N 1 0 339.392 0.646 20 5 ECBDRO O=C1CCCCCN1CCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591723108 439075536 /nfs/dbraw/zinc/07/55/36/439075536.db2.gz AGJWNMMMJWDVJB-AWEZNQCLSA-N 1 0 339.396 0.535 20 5 ECBDRO CCOC(=O)C1CCC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000591727833 439079013 /nfs/dbraw/zinc/07/90/13/439079013.db2.gz WXPSSCIAIYCGCB-ORHYLEIMSA-N 1 0 340.380 0.864 20 5 ECBDRO CC(C)(C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000591749651 439080637 /nfs/dbraw/zinc/08/06/37/439080637.db2.gz GTVHQIURZOQAGN-GFCCVEGCSA-N 1 0 346.405 0.747 20 5 ECBDRO Cn1nc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc21 ZINC000591760167 439083292 /nfs/dbraw/zinc/08/32/92/439083292.db2.gz TXLTZANMKDEROV-LBPRGKRZSA-N 1 0 330.348 0.829 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1COC[C@H]1OC ZINC000592154748 439168887 /nfs/dbraw/zinc/16/88/87/439168887.db2.gz WMXZYMMUYZWRMM-TZMCWYRMSA-N 1 0 339.348 0.935 20 5 ECBDRO CN(C)S(=O)(=O)N1CC([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602731237 439130115 /nfs/dbraw/zinc/13/01/15/439130115.db2.gz TWQHOIIATGJSQP-UHFFFAOYSA-N 1 0 328.394 0.218 20 5 ECBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000602819123 439139598 /nfs/dbraw/zinc/13/95/98/439139598.db2.gz ZBUPOSWERKLXDP-GFCCVEGCSA-N 1 0 325.413 0.877 20 5 ECBDRO COc1cccc(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c1[N+](=O)[O-] ZINC000597623601 439140894 /nfs/dbraw/zinc/14/08/94/439140894.db2.gz BJZYTEAEMZPBKL-LBPRGKRZSA-N 1 0 334.376 0.723 20 5 ECBDRO CC(=O)Nc1ccc(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000580888672 439144939 /nfs/dbraw/zinc/14/49/39/439144939.db2.gz PTTZPALIKMMGMN-INIZCTEOSA-N 1 0 347.375 0.943 20 5 ECBDRO C[NH+](C)C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000597653497 439150609 /nfs/dbraw/zinc/15/06/09/439150609.db2.gz JZYWCZAFMTUFRC-SECBINFHSA-N 1 0 325.321 0.018 20 5 ECBDRO C[C@@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000567605258 439156652 /nfs/dbraw/zinc/15/66/52/439156652.db2.gz KUHNCCNRNQSONB-JQWIXIFHSA-N 1 0 332.378 0.357 20 5 ECBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCN3CCOCC3)CC2)cn1 ZINC000524754470 439193098 /nfs/dbraw/zinc/19/30/98/439193098.db2.gz TWPRDSHQGIEBEV-UHFFFAOYSA-N 1 0 335.408 0.834 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)NC[C@H]2CCCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000592293191 439194225 /nfs/dbraw/zinc/19/42/25/439194225.db2.gz WBVDVARDXMYGLL-CYBMUJFWSA-N 1 0 334.376 0.891 20 5 ECBDRO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1c[nH]nc1[N+](=O)[O-] ZINC000597989684 439207521 /nfs/dbraw/zinc/20/75/21/439207521.db2.gz HIGMGAIIVCDVOO-CYBMUJFWSA-N 1 0 345.359 0.815 20 5 ECBDRO COc1cc(CN(C)CCN2CC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000592428515 439227710 /nfs/dbraw/zinc/22/77/10/439227710.db2.gz VRDHJPZGCFBDBW-UHFFFAOYSA-N 1 0 338.408 0.949 20 5 ECBDRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000592553118 439253189 /nfs/dbraw/zinc/25/31/89/439253189.db2.gz OASDBWWUJPPBKC-CYBMUJFWSA-N 1 0 337.332 0.337 20 5 ECBDRO O=C(NC[C@H]1C[NH2+]CCO1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000592567092 439256789 /nfs/dbraw/zinc/25/67/89/439256789.db2.gz RJWBGSMPQQMEEY-CQSZACIVSA-N 1 0 348.403 0.916 20 5 ECBDRO COc1cc(C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC000568647581 439267533 /nfs/dbraw/zinc/26/75/33/439267533.db2.gz SXEYGBHKXMLZCN-MRXNPFEDSA-N 1 0 335.360 0.790 20 5 ECBDRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598915740 439327235 /nfs/dbraw/zinc/32/72/35/439327235.db2.gz NSVKYCPYVRPCFW-SKDRFNHKSA-N 1 0 336.348 0.763 20 5 ECBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[N@H+](CCO)C[C@@H]2C)c1 ZINC000593032216 439331727 /nfs/dbraw/zinc/33/17/27/439331727.db2.gz MIFFQDIEQLGEDM-LBPRGKRZSA-N 1 0 337.376 0.880 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@]2(CCO)CCOC2)c1 ZINC000569485841 439337994 /nfs/dbraw/zinc/33/79/94/439337994.db2.gz NAEAMXQWOINIQV-ZBFHGGJFSA-N 1 0 340.376 0.713 20 5 ECBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000592875083 439294156 /nfs/dbraw/zinc/29/41/56/439294156.db2.gz WDRFYRWAVWZAJK-SNVBAGLBSA-N 1 0 335.364 0.369 20 5 ECBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000592878921 439294672 /nfs/dbraw/zinc/29/46/72/439294672.db2.gz IMMMNTQXAGUCEZ-LBPRGKRZSA-N 1 0 349.391 0.585 20 5 ECBDRO [NH3+]CC1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000598663156 439298957 /nfs/dbraw/zinc/29/89/57/439298957.db2.gz UHOSXSZWUCYSJT-UHFFFAOYSA-N 1 0 335.364 0.914 20 5 ECBDRO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NCC[C@H]1CC[NH2+]C1 ZINC000598665447 439299937 /nfs/dbraw/zinc/29/99/37/439299937.db2.gz WGPVOBGEOOXJJS-LLVKDONJSA-N 1 0 335.364 0.832 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000592899954 439300189 /nfs/dbraw/zinc/30/01/89/439300189.db2.gz WBARUCZIBKAWGE-UHFFFAOYSA-N 1 0 337.380 0.423 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N(CCC[NH3+])CC2CCCC2)n1 ZINC000599109117 439360128 /nfs/dbraw/zinc/36/01/28/439360128.db2.gz RZWRCDQPMWQYJM-UHFFFAOYSA-N 1 0 345.425 0.858 20 5 ECBDRO C[NH2+]CCOCCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000599107851 439360590 /nfs/dbraw/zinc/36/05/90/439360590.db2.gz OBNAPTNYAGNPBH-UHFFFAOYSA-N 1 0 337.785 0.763 20 5 ECBDRO [NH3+]CCCOCCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000599110142 439361778 /nfs/dbraw/zinc/36/17/78/439361778.db2.gz IEZDQZRNCLRDRH-UHFFFAOYSA-N 1 0 337.785 0.892 20 5 ECBDRO CN(CCOCC[NH3+])S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000599112237 439362177 /nfs/dbraw/zinc/36/21/77/439362177.db2.gz WUDYALWFMPYJCP-UHFFFAOYSA-N 1 0 337.785 0.844 20 5 ECBDRO [NH3+]CCCOCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000599110215 439362303 /nfs/dbraw/zinc/36/23/03/439362303.db2.gz LETBPYOOOSSELW-UHFFFAOYSA-N 1 0 337.785 0.892 20 5 ECBDRO [NH3+]CCCOCCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000599110172 439362502 /nfs/dbraw/zinc/36/25/02/439362502.db2.gz IVXSLGRSOOANRL-UHFFFAOYSA-N 1 0 331.394 0.422 20 5 ECBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCOCCC[NH3+])cc1C ZINC000599110198 439362512 /nfs/dbraw/zinc/36/25/12/439362512.db2.gz KMVDNIJAZYSQDO-UHFFFAOYSA-N 1 0 331.394 0.855 20 5 ECBDRO C[NH+](C)CCN1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1=O ZINC000593234577 439354633 /nfs/dbraw/zinc/35/46/33/439354633.db2.gz KCHGVBWWUVRNTF-UHFFFAOYSA-N 1 0 338.339 0.580 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)n1 ZINC000599097034 439355711 /nfs/dbraw/zinc/35/57/11/439355711.db2.gz BKDTZDPOIMEKKB-NSHDSACASA-N 1 0 343.409 0.481 20 5 ECBDRO [NH3+]C1(CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000599105481 439358564 /nfs/dbraw/zinc/35/85/64/439358564.db2.gz ZXMFFXKKALFUOI-UHFFFAOYSA-N 1 0 343.405 0.565 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)nc1 ZINC000593532466 439395775 /nfs/dbraw/zinc/39/57/75/439395775.db2.gz WLVWEHKPRQWWRV-JTQLQIEISA-N 1 0 326.378 0.752 20 5 ECBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H]1C ZINC000599245851 439396968 /nfs/dbraw/zinc/39/69/68/439396968.db2.gz YHIXJNKRAGBPRI-MNOVXSKESA-N 1 0 345.425 0.822 20 5 ECBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599253866 439402952 /nfs/dbraw/zinc/40/29/52/439402952.db2.gz PODWMJQMKDKXSU-JTQLQIEISA-N 1 0 331.398 0.291 20 5 ECBDRO CN(C(C)(C)C[NH+]1CCCC1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599325636 439435170 /nfs/dbraw/zinc/43/51/70/439435170.db2.gz ICFWKIFMBCGSKS-UHFFFAOYSA-N 1 0 345.425 0.823 20 5 ECBDRO Cn1cc([C@@H]2CN(C(=O)NCc3cccc([N+](=O)[O-])c3)C[C@H]2[NH3+])cn1 ZINC000570710147 439444820 /nfs/dbraw/zinc/44/48/20/439444820.db2.gz KBWVGMPGMLDFNB-LSDHHAIUSA-N 1 0 344.375 0.965 20 5 ECBDRO [NH3+]Cc1ccc(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)c(F)c1 ZINC000593709206 439449791 /nfs/dbraw/zinc/44/97/91/439449791.db2.gz VKBCTQVTVSEITB-UHFFFAOYSA-N 1 0 336.327 0.889 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC[S@](=O)C2)cc1 ZINC000583020075 439408895 /nfs/dbraw/zinc/40/88/95/439408895.db2.gz VYQTYHCHQMYBBA-SBKAZYGRSA-N 1 0 332.403 0.479 20 5 ECBDRO C[NH+](C)C/C=C\C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000491923314 439473994 /nfs/dbraw/zinc/47/39/94/439473994.db2.gz CVMGZMXGAJPEPO-ARJAWSKDSA-N 1 0 346.387 0.997 20 5 ECBDRO CCO[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])nc2C)C[C@H]1C[NH3+] ZINC000593917069 439493363 /nfs/dbraw/zinc/49/33/63/439493363.db2.gz 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0.119 20 5 ECBDRO C[N@@H+]1CCC[C@H](NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000609257707 439555517 /nfs/dbraw/zinc/55/55/17/439555517.db2.gz ITCQHIRDMZKUPE-ZDUSSCGKSA-N 1 0 349.391 0.604 20 5 ECBDRO NC(=O)c1ccc(CN2CCC[C@H](N3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000572131502 439558159 /nfs/dbraw/zinc/55/81/59/439558159.db2.gz DZMWWYRZFPQFLD-HNNXBMFYSA-N 1 0 348.403 0.990 20 5 ECBDRO O=C(NC[C@H]1COCC[NH2+]1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599896385 439572622 /nfs/dbraw/zinc/57/26/22/439572622.db2.gz AVDOUHKROHGUFW-QMMMGPOBSA-N 1 0 342.739 0.291 20 5 ECBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000599938518 439580925 /nfs/dbraw/zinc/58/09/25/439580925.db2.gz CKHOHOSNAYVOLF-KBPBESRZSA-N 1 0 337.351 0.944 20 5 ECBDRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000609668199 439582719 /nfs/dbraw/zinc/58/27/19/439582719.db2.gz JLGFVBRAAKWWRE-GFCCVEGCSA-N 1 0 337.380 0.059 20 5 ECBDRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000609668383 439582856 /nfs/dbraw/zinc/58/28/56/439582856.db2.gz NSLPRVMTRMVAAF-LBPRGKRZSA-N 1 0 337.380 0.059 20 5 ECBDRO [NH3+][C@H]1C[C@@H]2CN(c3c4ccccc4ncc3[N+](=O)[O-])CCN2C1=O ZINC000594702799 439593795 /nfs/dbraw/zinc/59/37/95/439593795.db2.gz ZVIIOAJUZJTIFO-PWSUYJOCSA-N 1 0 327.344 0.891 20 5 ECBDRO O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000594748978 439600452 /nfs/dbraw/zinc/60/04/52/439600452.db2.gz QTUDIDAPWBXTSR-QWRGUYRKSA-N 1 0 326.378 0.895 20 5 ECBDRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2ncccc2[N+](=O)[O-])CCSC1 ZINC000594761952 439604402 /nfs/dbraw/zinc/60/44/02/439604402.db2.gz SGDVFDONXRTNFT-GFCCVEGCSA-N 1 0 346.434 0.705 20 5 ECBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000610262215 439606291 /nfs/dbraw/zinc/60/62/91/439606291.db2.gz PPBUORKWKPRFSD-WDEREUQCSA-N 1 0 326.378 0.895 20 5 ECBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000610262214 439607359 /nfs/dbraw/zinc/60/73/59/439607359.db2.gz PPBUORKWKPRFSD-QWRGUYRKSA-N 1 0 326.378 0.895 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000600100140 439613641 /nfs/dbraw/zinc/61/36/41/439613641.db2.gz UGWQBSMQINZOKO-LBPRGKRZSA-N 1 0 336.348 0.025 20 5 ECBDRO CCn1cc(S(=O)(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000594800335 439615862 /nfs/dbraw/zinc/61/58/62/439615862.db2.gz CKWJBNHTRNHAKA-JTQLQIEISA-N 1 0 345.425 0.962 20 5 ECBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594878128 439637323 /nfs/dbraw/zinc/63/73/23/439637323.db2.gz OFOZMRLDFNQHKF-STQMWFEESA-N 1 0 346.387 0.904 20 5 ECBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000595119319 439655928 /nfs/dbraw/zinc/65/59/28/439655928.db2.gz FLQYTWGSPNRIGI-JTQLQIEISA-N 1 0 326.378 0.943 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000595122362 439656712 /nfs/dbraw/zinc/65/67/12/439656712.db2.gz WUOYWKIFNFDSDS-NXEZZACHSA-N 1 0 333.341 0.663 20 5 ECBDRO CCn1cc(S(=O)(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)c([N+](=O)[O-])n1 ZINC000611106738 439673371 /nfs/dbraw/zinc/67/33/71/439673371.db2.gz FLFHGKHQPIXMOY-NXEZZACHSA-N 1 0 343.409 0.715 20 5 ECBDRO CNC(=O)CN1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611700284 439723278 /nfs/dbraw/zinc/72/32/78/439723278.db2.gz NSDTWXJWEHVFIL-UHFFFAOYSA-N 1 0 330.348 0.406 20 5 ECBDRO [NH3+][C@@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC[C@H]1F ZINC000595260624 439683490 /nfs/dbraw/zinc/68/34/90/439683490.db2.gz GFMYLTJNBXPPFM-GHMZBOCLSA-N 1 0 334.311 0.687 20 5 ECBDRO CS(=O)(=O)c1cc(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000595261422 439683885 /nfs/dbraw/zinc/68/38/85/439683885.db2.gz ZSYJMUPNKBNDBP-VXGBXAGGSA-N 1 0 345.352 0.510 20 5 ECBDRO O=C(CC[NH2+]CCCn1cc(CO)nn1)Nc1ccccc1[N+](=O)[O-] ZINC000574157403 439686955 /nfs/dbraw/zinc/68/69/55/439686955.db2.gz AMEPIUWLBRPHRS-UHFFFAOYSA-N 1 0 348.363 0.687 20 5 ECBDRO C[NH2+]C[C@H](C)NC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000595275530 439688898 /nfs/dbraw/zinc/68/88/98/439688898.db2.gz NLNDENSCCINYBJ-LBPRGKRZSA-N 1 0 349.391 0.670 20 5 ECBDRO CC[N@@H+](CC(=O)N(C)C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612059071 439746285 /nfs/dbraw/zinc/74/62/85/439746285.db2.gz GQUJMFYTUZONEE-LBPRGKRZSA-N 1 0 325.365 0.745 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CCN2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000612030411 439743783 /nfs/dbraw/zinc/74/37/83/439743783.db2.gz YXFUACTULVPTIJ-VXGBXAGGSA-N 1 0 325.390 0.520 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000614894336 439789800 /nfs/dbraw/zinc/78/98/00/439789800.db2.gz APBJEMVQTCRWRZ-UHFFFAOYSA-N 1 0 339.396 0.405 20 5 ECBDRO CC(C)[C@](C)([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(N)=O ZINC000289334807 320665103 /nfs/dbraw/zinc/66/51/03/320665103.db2.gz LHIWEGMGYHZTDW-ABAIWWIYSA-N 1 0 325.365 0.824 20 5 ECBDRO CCn1cc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])n1 ZINC000330455963 320826420 /nfs/dbraw/zinc/82/64/20/320826420.db2.gz OMTVUBMKORNSCY-GHMZBOCLSA-N 1 0 345.425 0.962 20 5 ECBDRO CC(C)C[C@@H](Nc1c([N+](=O)[O-])ncn1C)C(=O)NCC[NH+](C)C ZINC000340080933 321014744 /nfs/dbraw/zinc/01/47/44/321014744.db2.gz VXMRDONGAXUGBR-LLVKDONJSA-N 1 0 326.401 0.833 20 5 ECBDRO C[C@@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@H](C)C[NH2+]1 ZINC000356369831 321528381 /nfs/dbraw/zinc/52/83/81/321528381.db2.gz FPLZAOOGLNANIH-VXGBXAGGSA-N 1 0 349.391 0.603 20 5 ECBDRO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000548163307 322150028 /nfs/dbraw/zinc/15/00/28/322150028.db2.gz BLGFCCSSEYLWCO-UHFFFAOYSA-N 1 0 345.363 0.727 20 5 ECBDRO [NH3+][C@H]1C[C@@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])CCN2C1=O ZINC000563430833 322317458 /nfs/dbraw/zinc/31/74/58/322317458.db2.gz BAASCBRXPXJOTJ-NEPJUHHUSA-N 1 0 327.344 0.891 20 5 ECBDRO O=C(C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000564670400 322386620 /nfs/dbraw/zinc/38/66/20/322386620.db2.gz OXYFJLVXCJGVGG-AWEZNQCLSA-N 1 0 337.376 0.937 20 5 ECBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000567819089 322599336 /nfs/dbraw/zinc/59/93/36/322599336.db2.gz OKUBVKBKJVJYFK-LBPRGKRZSA-N 1 0 333.352 0.342 20 5 ECBDRO CO[C@@H]1COCC[C@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000568858004 322635244 /nfs/dbraw/zinc/63/52/44/322635244.db2.gz YPSGHHKHXRTHLH-JGGQBBKZSA-N 1 0 340.376 0.976 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000569454767 322653951 /nfs/dbraw/zinc/65/39/51/322653951.db2.gz WRDZICCWZAWTNI-UHFFFAOYSA-N 1 0 331.336 0.683 20 5 ECBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)NC1C[NH2+]C1 ZINC000573461011 322762290 /nfs/dbraw/zinc/76/22/90/322762290.db2.gz DTEKQHBNVJOELU-UHFFFAOYSA-N 1 0 330.247 0.223 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H](CO)Cc2cccnc2)c1 ZINC000574813262 322785760 /nfs/dbraw/zinc/78/57/60/322785760.db2.gz WIJHMKLBRNQLBS-GDBMZVCRSA-N 1 0 347.371 0.923 20 5 ECBDRO O=C(CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCCCCC1 ZINC000576391761 322806355 /nfs/dbraw/zinc/80/63/55/322806355.db2.gz XUGBFNHNBQVSNE-CQSZACIVSA-N 1 0 339.396 0.535 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H](CO)Cc2ccccc2)c1 ZINC000578442872 322864531 /nfs/dbraw/zinc/86/45/31/322864531.db2.gz LIWWLGNOEKLHFZ-HOCLYGCPSA-N 1 0 334.376 0.593 20 5 ECBDRO [NH3+]CCCCn1cc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000579586580 322901096 /nfs/dbraw/zinc/90/10/96/322901096.db2.gz ZIKLRKIAKQHKPL-UHFFFAOYSA-N 1 0 332.364 0.898 20 5 ECBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2COC[C@H]2OC)cc1[N+](=O)[O-] ZINC000580073443 322915083 /nfs/dbraw/zinc/91/50/83/322915083.db2.gz JYLUHTKMLIFVDT-BXUZGUMPSA-N 1 0 340.332 0.650 20 5 ECBDRO CC[N@H+](CCO)CCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000184336823 528552215 /nfs/dbraw/zinc/55/22/15/528552215.db2.gz WBNYILXHSAEHPX-UHFFFAOYSA-N 1 0 335.357 0.326 20 5 ECBDRO Cc1nn(C)c(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000619253750 546311226 /nfs/dbraw/zinc/31/12/26/546311226.db2.gz FGZQQGOIOQWFFE-AWEZNQCLSA-N 1 0 325.369 0.165 20 5 ECBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736856034 578457939 /nfs/dbraw/zinc/45/79/39/578457939.db2.gz KJEHERNJIDIZIF-JTQLQIEISA-N 1 0 332.368 0.948 20 5 ECBDRO CN(C)S(=O)(=O)c1ccc(NC[C@@H](O)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000763322090 579558792 /nfs/dbraw/zinc/55/87/92/579558792.db2.gz JGEDOWHVKFVIDA-SNVBAGLBSA-N 1 0 346.409 0.180 20 5 ECBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000742254305 579784559 /nfs/dbraw/zinc/78/45/59/579784559.db2.gz JBEHKUREVPBFOS-HZPDHXFCSA-N 1 0 348.403 0.990 20 5 ECBDRO Cc1cc(S(=O)(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)cc([N+](=O)[O-])c1F ZINC000842744578 589034853 /nfs/dbraw/zinc/03/48/53/589034853.db2.gz UIIFJLBASYLTPT-JOYOIKCWSA-N 1 0 347.368 0.779 20 5 ECBDRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000842744373 589034867 /nfs/dbraw/zinc/03/48/67/589034867.db2.gz RGVZMZVJHNWQFW-KCJUWKMLSA-N 1 0 349.796 0.985 20 5 ECBDRO CN1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+](C)CC1 ZINC000888982593 586247331 /nfs/dbraw/zinc/24/73/31/586247331.db2.gz XXASSACFEYGNSK-HNNXBMFYSA-N 1 0 336.392 0.334 20 5 ECBDRO CN1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+](C)CC1 ZINC000888982594 586247431 /nfs/dbraw/zinc/24/74/31/586247431.db2.gz XXASSACFEYGNSK-OAHLLOKOSA-N 1 0 336.392 0.334 20 5 ECBDRO Cn1c(=O)c([N+](=O)[O-])c(N2CCC[N@H+](CCO)CC2)c2ccccc21 ZINC000892338249 586254482 /nfs/dbraw/zinc/25/44/82/586254482.db2.gz TVZGYIGPMWRHQW-UHFFFAOYSA-N 1 0 346.387 0.951 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896568996 586254626 /nfs/dbraw/zinc/25/46/26/586254626.db2.gz QYZZTXHPPOOONS-AAEUAGOBSA-N 1 0 338.412 0.240 20 5 ECBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000896566920 586256475 /nfs/dbraw/zinc/25/64/75/586256475.db2.gz FGBYQBYOSFPDJO-ABAIWWIYSA-N 1 0 336.392 0.968 20 5 ECBDRO CN(CC[N@H+](C)CCO)c1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000894590920 586401760 /nfs/dbraw/zinc/40/17/60/586401760.db2.gz ILSWYTYLLZEKAW-UHFFFAOYSA-N 1 0 336.392 0.847 20 5 ECBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC2(OCCO)CCOCC2)cc1 ZINC000843103289 589050790 /nfs/dbraw/zinc/05/07/90/589050790.db2.gz KTCBAYJHYBHYNT-HNNXBMFYSA-N 1 0 340.376 0.776 20 5 ECBDRO [NH3+]CCc1noc(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000843130883 589051846 /nfs/dbraw/zinc/05/18/46/589051846.db2.gz KETILIHAWHLAMN-UHFFFAOYSA-N 1 0 341.349 0.000 20 5 ECBDRO CN(CCN1CC[NH2+]CC1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000843337897 589062388 /nfs/dbraw/zinc/06/23/88/589062388.db2.gz NJOOYMRXQQQKEN-UHFFFAOYSA-N 1 0 337.336 0.480 20 5 ECBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)CC2 ZINC000843492938 589071904 /nfs/dbraw/zinc/07/19/04/589071904.db2.gz AOOSWICZXBOUEX-LBPRGKRZSA-N 1 0 332.360 0.661 20 5 ECBDRO O=C1NC(=O)C2(CCC([NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)N1 ZINC000809733248 587182063 /nfs/dbraw/zinc/18/20/63/587182063.db2.gz SNSMHGYYQPJLSD-ULKWEWGCSA-N 1 0 348.359 0.739 20 5 ECBDRO COCc1nc2n(n1)C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000819154186 587470582 /nfs/dbraw/zinc/47/05/82/587470582.db2.gz OUSZDZVMATXTHC-OCCSQVGLSA-N 1 0 347.375 0.971 20 5 ECBDRO C[C@H]1COCCN1CCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000820813432 587558067 /nfs/dbraw/zinc/55/80/67/587558067.db2.gz GURQFDBOQGFBNG-VIFPVBQESA-N 1 0 334.340 0.303 20 5 ECBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000823620936 587735043 /nfs/dbraw/zinc/73/50/43/587735043.db2.gz TZUTVXYCNSNDPX-JTQLQIEISA-N 1 0 328.336 0.620 20 5 ECBDRO C[NH+](C)CCN1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000823970474 587846452 /nfs/dbraw/zinc/84/64/52/587846452.db2.gz DBVDWRDBGJZZHS-HNNXBMFYSA-N 1 0 336.392 0.334 20 5 ECBDRO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000826799434 588084046 /nfs/dbraw/zinc/08/40/46/588084046.db2.gz HMLRJZAWMAZPTO-MRXNPFEDSA-N 1 0 349.387 0.951 20 5 ECBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848766957 589310205 /nfs/dbraw/zinc/31/02/05/589310205.db2.gz BWPIDYRGWMHDKP-UONOGXRCSA-N 1 0 346.387 0.742 20 5 ECBDRO NC(=O)[C@](O)(CN1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000851908343 589431870 /nfs/dbraw/zinc/43/18/70/589431870.db2.gz MIPAJOHUMIPBPX-KRWDZBQOSA-N 1 0 342.355 0.721 20 5 ECBDRO [NH3+]CCN(Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@@H](O)CO ZINC000852753967 589510431 /nfs/dbraw/zinc/51/04/31/589510431.db2.gz WIAANZMOHWFMAX-SNVBAGLBSA-N 1 0 348.197 0.471 20 5 ECBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000853965058 589566127 /nfs/dbraw/zinc/56/61/27/589566127.db2.gz DAORNXJRIJIRTE-AWEZNQCLSA-N 1 0 348.403 0.990 20 5 ECBDRO C[C@@H]([NH3+])CN(C)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000861616108 589867616 /nfs/dbraw/zinc/86/76/16/589867616.db2.gz AYFMHYKEWXTKCX-SNVBAGLBSA-N 1 0 344.393 0.357 20 5 ECBDRO C[C@@H]([NH3+])CN(C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000863566280 590024061 /nfs/dbraw/zinc/02/40/61/590024061.db2.gz GKKQUHTZYWBACR-CYBMUJFWSA-N 1 0 335.408 0.522 20 5 ECBDRO CON(C)C(=O)[C@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000863588057 590026045 /nfs/dbraw/zinc/02/60/45/590026045.db2.gz ZOPPURIHHCLPFK-CMPLNLGQSA-N 1 0 327.337 0.332 20 5 ECBDRO C[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CCN1c1cc[nH+]cc1 ZINC000881634475 590462371 /nfs/dbraw/zinc/46/23/71/590462371.db2.gz BXMOUJAZJMURAW-GFCCVEGCSA-N 1 0 330.348 0.924 20 5 ECBDRO CN1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@H+](C)CC1 ZINC000888992435 591035600 /nfs/dbraw/zinc/03/56/00/591035600.db2.gz LDWPABHWZJKPLD-UHFFFAOYSA-N 1 0 338.412 0.232 20 5 ECBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@@H+](Cc3ncccn3)C[C@H]2CC1 ZINC000946589092 611356821 /nfs/dbraw/zinc/35/68/21/611356821.db2.gz FRDZNDVARYTFNF-LXTVHRRPSA-N 1 0 345.403 0.812 20 5 ECBDRO COCC[N@@H+]1CCCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000930684129 611454186 /nfs/dbraw/zinc/45/41/86/611454186.db2.gz MTCRKJYNSZGVPA-UHFFFAOYSA-N 1 0 325.369 0.280 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@@H+](C)[C@H](CO)C1 ZINC000931405176 611537069 /nfs/dbraw/zinc/53/70/69/611537069.db2.gz HCQMPSHEASKPOD-AWEZNQCLSA-N 1 0 336.392 0.840 20 5 ECBDRO COCCNC(=O)[C@@H]1CC[C@H](C)N(Cn2nccc2[N+](=O)[O-])C1 ZINC000921054853 609697318 /nfs/dbraw/zinc/69/73/18/609697318.db2.gz KNJDQDUPPAOCSF-NWDGAFQWSA-N 1 0 325.369 0.612 20 5 ECBDRO O=C(CN1CCNCC[NH2+]CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000923465515 611246454 /nfs/dbraw/zinc/24/64/54/611246454.db2.gz GFLBZNLTZSMDNX-UHFFFAOYSA-N 1 0 341.799 0.682 20 5 ECBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)N(C)CC[NH3+])c(C)c1[N+](=O)[O-] ZINC000842485967 611313714 /nfs/dbraw/zinc/31/37/14/611313714.db2.gz RIFDZWIQOSEZFK-UHFFFAOYSA-N 1 0 332.338 0.699 20 5 ECBDRO CSc1nc(Cl)nc(N2CCN3CC[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC001164399338 718835139 /nfs/dbraw/zinc/83/51/39/718835139.db2.gz TWACSFRWGYGOFO-QMMMGPOBSA-N 1 0 344.828 0.854 20 5 ECBDRO CCOC(=O)c1ccnc(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000471707704 719472963 /nfs/dbraw/zinc/47/29/63/719472963.db2.gz YQYJYTLZKOWCJE-VXGBXAGGSA-N 1 0 336.348 0.686 20 5 ECBDRO COc1nc(N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)ncc1[N+](=O)[O-] ZINC001164919850 721847372 /nfs/dbraw/zinc/84/73/72/721847372.db2.gz DJSRLMLEMGZCOQ-NWDGAFQWSA-N 1 0 336.396 0.608 20 5 ECBDRO O=[N+]([O-])c1cnc(N2CCO[C@H](C(F)(F)F)C2)nc1C1C[NH2+]C1 ZINC001167085569 732349094 /nfs/dbraw/zinc/34/90/94/732349094.db2.gz RDKFNAXHMWWBRW-VIFPVBQESA-N 1 0 333.270 0.839 20 5 ECBDRO Cc1ccc(C(=O)NCCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)c(=O)[nH]1 ZINC001167331087 733795559 /nfs/dbraw/zinc/79/55/59/733795559.db2.gz RJOBMVUIEOVFIF-UHFFFAOYSA-N 1 0 348.363 0.647 20 5 ECBDRO CCOC(=O)COc1ncc(-n2ccc(CC[NH3+])n2)cc1[N+](=O)[O-] ZINC001167730373 740482619 /nfs/dbraw/zinc/48/26/19/740482619.db2.gz IDCOBYMDLOJURU-UHFFFAOYSA-N 1 0 335.320 0.619 20 5 ECBDRO O=C(N[C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000974115790 740958058 /nfs/dbraw/zinc/95/80/58/740958058.db2.gz ZFFPKKVRFGMADB-YVECIDJPSA-N 1 0 336.392 0.043 20 5 ECBDRO CC/C=C\CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1 ZINC001105235574 741527323 /nfs/dbraw/zinc/52/73/23/741527323.db2.gz JZSRVQJJKYPYKK-LPUOJRKPSA-N 1 0 348.407 0.773 20 5 ECBDRO Cc1n[nH]nc1C(=O)N1CCC([NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000996869752 742972030 /nfs/dbraw/zinc/97/20/30/742972030.db2.gz HOQMACAXZSGYNQ-UHFFFAOYSA-N 1 0 348.367 0.149 20 5 ECBDRO CC(=O)O[C@H]1C[NH2+]C[C@H]1c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001211730575 752182125 /nfs/dbraw/zinc/18/21/25/752182125.db2.gz BAXMCEUATMBGNS-SCZZXKLOSA-N 1 0 337.267 0.797 20 5 ECBDRO O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])N1CCCc2ccccc21 ZINC001126939426 756808589 /nfs/dbraw/zinc/80/85/89/756808589.db2.gz XYRKMEYQIMPBJZ-UKRRQHHQSA-N 1 0 346.387 0.337 20 5 ECBDRO 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CN(CCOCCNc1ncccc1[N+](=O)[O-])C(=O)CC[NH+](C)C ZINC001127463368 771266047 /nfs/dbraw/zinc/26/60/47/771266047.db2.gz TXEZXFNIKDCRCI-UHFFFAOYSA-N 1 0 339.396 0.828 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)Cc2ccon2)C1 ZINC001020030189 772090886 /nfs/dbraw/zinc/09/08/86/772090886.db2.gz APMIYAARSWCVTB-XYPYZODXSA-N 1 0 334.336 0.296 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)Cc2ccoc2)C1 ZINC001020096353 772154038 /nfs/dbraw/zinc/15/40/38/772154038.db2.gz YGKUUCUCLXGZHT-HAQNSBGRSA-N 1 0 333.348 0.901 20 5 ECBDRO Cn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)nn1 ZINC001020125534 772188778 /nfs/dbraw/zinc/18/87/78/772188778.db2.gz WJGZOJCMPXORQG-MGCOHNPYSA-N 1 0 336.377 0.835 20 5 ECBDRO Cn1cnc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001020127538 772193243 /nfs/dbraw/zinc/19/32/43/772193243.db2.gz OGDWXOIYCUGTRE-HAQNSBGRSA-N 1 0 330.348 0.774 20 5 ECBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cc3n(n2)CCCC3)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020139846 772207133 /nfs/dbraw/zinc/20/71/33/772207133.db2.gz OFIVTSOBKSZZCM-YIKOMLBNSA-N 1 0 333.392 0.621 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC001020402509 772545939 /nfs/dbraw/zinc/54/59/39/772545939.db2.gz MHPZFILLAZPTAV-MGCOHNPYSA-N 1 0 336.327 0.846 20 5 ECBDRO CC(=O)N1CC[NH+](CCCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001079161024 780837360 /nfs/dbraw/zinc/83/73/60/780837360.db2.gz RYVSICRYRXFGIG-ZIAGYGMSSA-N 1 0 326.397 0.102 20 5 ECBDRO CNC(=O)C1(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001267439962 837417382 /nfs/dbraw/zinc/41/73/82/837417382.db2.gz ATZSMAILFIDCRS-UHFFFAOYSA-N 1 0 334.376 0.669 20 5 ECBDRO CNC(=O)C1(C(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001267440256 837418849 /nfs/dbraw/zinc/41/88/49/837418849.db2.gz NBHVSVKJUVXXFY-UHFFFAOYSA-N 1 0 334.376 0.669 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)CCn2cccn2)C1 ZINC001266668268 836108873 /nfs/dbraw/zinc/10/88/73/836108873.db2.gz SOQAYVXNGZDZBA-TXEJJXNPSA-N 1 0 347.379 0.352 20 5 ECBDRO C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000428428460 210261613 /nfs/dbraw/zinc/26/16/13/210261613.db2.gz XHURJPNJBDPVDG-SNVBAGLBSA-N 1 0 334.332 0.141 20 5 ECBDRO O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C1 ZINC000428170131 210248656 /nfs/dbraw/zinc/24/86/56/210248656.db2.gz KAROIZSIYBKXRW-MRVPVSSYSA-N 1 0 326.740 0.456 20 5 ECBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423643731 282494111 /nfs/dbraw/zinc/49/41/11/282494111.db2.gz MSYGJDSKUAOXKJ-ZDUSSCGKSA-N 1 0 334.376 0.545 20 5 ECBDRO CCn1cc(S(=O)(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])n1 ZINC000420456396 209369926 /nfs/dbraw/zinc/36/99/26/209369926.db2.gz AGTPYPKSPIOMDE-ZJUUUORDSA-N 1 0 331.398 0.607 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)NC[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000420415327 209362520 /nfs/dbraw/zinc/36/25/20/209362520.db2.gz FXIIOEWYYIMNCG-NSHDSACASA-N 1 0 343.361 0.397 20 5 ECBDRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000041718261 201094480 /nfs/dbraw/zinc/09/44/80/201094480.db2.gz VLSOUPYHIUGERN-UHFFFAOYSA-N 1 0 349.391 0.287 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000269764974 201234054 /nfs/dbraw/zinc/23/40/54/201234054.db2.gz LQXIWOUYGQYGLQ-ZDUSSCGKSA-N 1 0 347.393 0.194 20 5 ECBDRO C[C@H](CC[NH3+])NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000419999589 209272690 /nfs/dbraw/zinc/27/26/90/209272690.db2.gz SEMRUXMIKDHHAK-LLVKDONJSA-N 1 0 334.376 0.939 20 5 ECBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419884835 209237331 /nfs/dbraw/zinc/23/73/31/209237331.db2.gz ACZPMSIWVCVLHT-CYBMUJFWSA-N 1 0 334.376 0.464 20 5 ECBDRO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000419870842 209232474 /nfs/dbraw/zinc/23/24/74/209232474.db2.gz DUKXSSVQPMARFG-GFCCVEGCSA-N 1 0 332.360 0.564 20 5 ECBDRO CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[NH3+] ZINC000262501708 245006297 /nfs/dbraw/zinc/00/62/97/245006297.db2.gz HOLYYCFKEGCKBU-LBPRGKRZSA-N 1 0 340.405 0.521 20 5 ECBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000262845701 245211065 /nfs/dbraw/zinc/21/10/65/245211065.db2.gz RTQWJGJGSMEGIH-MFKMUULPSA-N 1 0 330.348 0.903 20 5 ECBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363759420 204087074 /nfs/dbraw/zinc/08/70/74/204087074.db2.gz VEOGUHKYVRHELM-STQMWFEESA-N 1 0 335.360 0.953 20 5 ECBDRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000264241453 246232037 /nfs/dbraw/zinc/23/20/37/246232037.db2.gz CINRLAFSYQBBQG-UHFFFAOYSA-N 1 0 338.364 0.570 20 5 ECBDRO C[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)C[NH+]1CCN(C)CC1 ZINC000265109697 247211529 /nfs/dbraw/zinc/21/15/29/247211529.db2.gz KBTHFANANCJTFZ-CYBMUJFWSA-N 1 0 338.412 0.181 20 5 ECBDRO Cc1c(CC(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000161329831 206342057 /nfs/dbraw/zinc/34/20/57/206342057.db2.gz ADDZTFZXPNXCKR-UHFFFAOYSA-N 1 0 348.403 0.678 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)Cn2c3ccccc3nc2NCCO)c1 ZINC000266517070 248341208 /nfs/dbraw/zinc/34/12/08/248341208.db2.gz ZCDXISSRMVGOPH-LBPRGKRZSA-N 1 0 346.347 0.606 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c1 ZINC000266565741 248363151 /nfs/dbraw/zinc/36/31/51/248363151.db2.gz ZOYHNHZUWVKIDS-OUAUKWLOSA-N 1 0 338.286 0.540 20 5 ECBDRO CN1CC[NH2+]C[C@H]1CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449705773 211293821 /nfs/dbraw/zinc/29/38/21/211293821.db2.gz ZFNACRMKUPEUMM-AWEZNQCLSA-N 1 0 344.375 0.414 20 5 ECBDRO CN1CC[NH2+]C[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000449693857 211290963 /nfs/dbraw/zinc/29/09/63/211290963.db2.gz FPOIMMFUAXABJD-LBPRGKRZSA-N 1 0 326.784 0.811 20 5 ECBDRO Cc1cc(=O)c(C(=O)N[C@@H](C)[C@H](C)[NH3+])nn1-c1ccccc1[N+](=O)[O-] ZINC000449586354 211284511 /nfs/dbraw/zinc/28/45/11/211284511.db2.gz FYTXZVRDKSISQB-QWRGUYRKSA-N 1 0 345.359 0.915 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H](CO)[C@@H]2CCCO2)c1 ZINC000447922341 211218016 /nfs/dbraw/zinc/21/80/16/211218016.db2.gz OSGNIPQQAREULX-YUELXQCFSA-N 1 0 326.349 0.464 20 5 ECBDRO C[C@@H]1C[N@@H+](CCCCNC(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000176137536 207194012 /nfs/dbraw/zinc/19/40/12/207194012.db2.gz NOBKENHNJFGCEV-BETUJISGSA-N 1 0 339.396 0.797 20 5 ECBDRO CC[C@H](COC)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000178006702 207429887 /nfs/dbraw/zinc/42/98/87/207429887.db2.gz FROHARPEKICJAA-LLVKDONJSA-N 1 0 331.394 0.888 20 5 ECBDRO CCC[NH2+]CCNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000261906791 207789338 /nfs/dbraw/zinc/78/93/38/207789338.db2.gz SJDSFQCODYUDBC-UHFFFAOYSA-N 1 0 337.380 0.510 20 5 ECBDRO CCOc1cc(OC[C@H](O)CN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000414130403 208395610 /nfs/dbraw/zinc/39/56/10/208395610.db2.gz WWWHWVBTKBIDDA-CYBMUJFWSA-N 1 0 339.392 0.981 20 5 ECBDRO C[C@H]([NH3+])CCNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000429050101 210295159 /nfs/dbraw/zinc/29/51/59/210295159.db2.gz XEQIEFZSDLWWHA-JTQLQIEISA-N 1 0 344.393 0.117 20 5 ECBDRO CN1CC[NH2+]C[C@H]1CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418752155 208843125 /nfs/dbraw/zinc/84/31/25/208843125.db2.gz BHFJBSWSAQBLMS-ZDUSSCGKSA-N 1 0 349.391 0.271 20 5 ECBDRO FC(F)Oc1ccc(-n2nnnc2C[N+]23CCN(CC2)CC3)cc1 ZINC000060511406 254484633 /nfs/dbraw/zinc/48/46/33/254484633.db2.gz WAVDFDUFUBOKCE-UHFFFAOYSA-N 1 0 337.354 0.910 20 5 ECBDRO [NH3+]C1CCN(C(=O)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000419163634 209008437 /nfs/dbraw/zinc/00/84/37/209008437.db2.gz JYJGUPJINIWPCM-UHFFFAOYSA-N 1 0 340.767 0.814 20 5 ECBDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000419271357 209047269 /nfs/dbraw/zinc/04/72/69/209047269.db2.gz OKNDUCHLZMSUQH-WCQYABFASA-N 1 0 334.376 0.901 20 5 ECBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000419329389 209061825 /nfs/dbraw/zinc/06/18/25/209061825.db2.gz FCHWECZXXZEWEM-RYUDHWBXSA-N 1 0 336.392 0.581 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000262343184 286249779 /nfs/dbraw/zinc/24/97/79/286249779.db2.gz ULHKWKXTPVIUAJ-NXEZZACHSA-N 1 0 329.378 0.961 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)NCC2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000297118469 296821600 /nfs/dbraw/zinc/82/16/00/296821600.db2.gz GKLSOWWCDZRRNW-UHFFFAOYSA-N 1 0 334.376 0.749 20 5 ECBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CN1c2cc([N+](=O)[O-])ccc2OCC1=O ZINC000261663398 165223558 /nfs/dbraw/zinc/22/35/58/165223558.db2.gz GJKXIRGTDJRHNS-GHMZBOCLSA-N 1 0 348.359 0.516 20 5 ECBDRO CCc1ccc([C@H]2C[NH2+]CCN2C(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000261834265 165249270 /nfs/dbraw/zinc/24/92/70/165249270.db2.gz TXYWUWUUJKWGJB-CQSZACIVSA-N 1 0 344.375 0.922 20 5 ECBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000262428426 165348057 /nfs/dbraw/zinc/34/80/57/165348057.db2.gz FPXLLQQUBRAAJC-OLZOCXBDSA-N 1 0 325.390 0.966 20 5 ECBDRO Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000262530795 165359779 /nfs/dbraw/zinc/35/97/79/165359779.db2.gz NILVJMAAWPKIGE-SMDDNHRTSA-N 1 0 334.376 0.971 20 5 ECBDRO C[NH2+]CCCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262773809 165385019 /nfs/dbraw/zinc/38/50/19/165385019.db2.gz WSLZLSGCIIGPEY-UHFFFAOYSA-N 1 0 331.350 0.254 20 5 ECBDRO COc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000262809486 165389511 /nfs/dbraw/zinc/38/95/11/165389511.db2.gz XTWYBKATUNOLSC-GXSJLCMTSA-N 1 0 329.378 0.880 20 5 ECBDRO COc1ccc(CNC(=O)NC[C@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000269840981 263207901 /nfs/dbraw/zinc/20/79/01/263207901.db2.gz BRDQDXVUXXSPLX-HNNXBMFYSA-N 1 0 340.380 0.715 20 5 ECBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000270418669 263241017 /nfs/dbraw/zinc/24/10/17/263241017.db2.gz GEBBQSMPJJVLOJ-YDHLFZDLSA-N 1 0 340.380 0.864 20 5 ECBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000271025095 263293704 /nfs/dbraw/zinc/29/37/04/263293704.db2.gz OMSPJRDCYXDKHN-LBPRGKRZSA-N 1 0 336.392 0.945 20 5 ECBDRO C[NH+]1CCN(CCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000271269447 263311538 /nfs/dbraw/zinc/31/15/38/263311538.db2.gz MDMYOXIUYSDQSA-UHFFFAOYSA-N 1 0 348.450 0.719 20 5 ECBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000272412226 263347537 /nfs/dbraw/zinc/34/75/37/263347537.db2.gz JCIUIWKAWDUYPY-LBPRGKRZSA-N 1 0 335.364 0.247 20 5 ECBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285495559 264318488 /nfs/dbraw/zinc/31/84/88/264318488.db2.gz PREDUQMWFNRZCG-LBPRGKRZSA-N 1 0 336.396 0.560 20 5 ECBDRO CN(CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1(CO)CC1 ZINC000285511287 264319354 /nfs/dbraw/zinc/31/93/54/264319354.db2.gz NNIGOGHRXJLCEX-UHFFFAOYSA-N 1 0 348.403 0.700 20 5 ECBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000286260204 264383783 /nfs/dbraw/zinc/38/37/83/264383783.db2.gz FMFGETACKWMYLA-STQMWFEESA-N 1 0 337.380 0.503 20 5 ECBDRO C[C@@H](C[NH+](C)C)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000286861263 264429326 /nfs/dbraw/zinc/42/93/26/264429326.db2.gz CENRRAVDEGICIF-VIFPVBQESA-N 1 0 334.332 0.257 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2CCC(C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000297284512 265136623 /nfs/dbraw/zinc/13/66/23/265136623.db2.gz UHEZXSKCBIEIFO-UHFFFAOYSA-N 1 0 334.376 0.830 20 5 ECBDRO O=C1CNC(=O)N1CCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000298798099 265281426 /nfs/dbraw/zinc/28/14/26/265281426.db2.gz WKZMWMDTFXOJOP-UHFFFAOYSA-N 1 0 347.375 0.659 20 5 ECBDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])[nH]3)cn2)CC1 ZINC000298847799 265287495 /nfs/dbraw/zinc/28/74/95/265287495.db2.gz LPYPYGLFVNRGQG-UHFFFAOYSA-N 1 0 344.375 1.000 20 5 ECBDRO [NH3+][C@H]1CCC[C@@H]1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422951019 274962399 /nfs/dbraw/zinc/96/23/99/274962399.db2.gz ZKVWRSCYEPKOKK-STQMWFEESA-N 1 0 328.394 0.343 20 5 ECBDRO C[C@@H](O)C[NH+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000189388378 437595687 /nfs/dbraw/zinc/59/56/87/437595687.db2.gz BTDTVLFMODHROI-GFCCVEGCSA-N 1 0 337.376 0.960 20 5 ECBDRO CNC(=O)c1ccc(N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000264292819 277258579 /nfs/dbraw/zinc/25/85/79/277258579.db2.gz BQJJBCWUANVHTH-RYUDHWBXSA-N 1 0 336.392 0.846 20 5 ECBDRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000423729021 279290143 /nfs/dbraw/zinc/29/01/43/279290143.db2.gz WOGJOIMNTXENQG-GFCCVEGCSA-N 1 0 349.391 0.049 20 5 ECBDRO O=C(NCC[C@@H]1CC[NH2+]C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000418342834 279844774 /nfs/dbraw/zinc/84/47/74/279844774.db2.gz QMVRCWOZTRVERC-ZDUSSCGKSA-N 1 0 348.407 0.821 20 5 ECBDRO O=C(NCC[C@H]1CCC[NH2+]1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000418585290 279845263 /nfs/dbraw/zinc/84/52/63/279845263.db2.gz YIJPKIZXSPWZBU-CYBMUJFWSA-N 1 0 348.407 0.964 20 5 ECBDRO CN(CC[NH+](C)C)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 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COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[N@@H+]([C@@H](C)CO)CC2)n1 ZINC000343205463 437534610 /nfs/dbraw/zinc/53/46/10/437534610.db2.gz MESKGBGANWZSIX-NSHDSACASA-N 1 0 338.364 0.669 20 5 ECBDRO Cc1ccc(C[NH2+]CC2(O)CCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000330513559 437534744 /nfs/dbraw/zinc/53/47/44/437534744.db2.gz CMWZWBZEXCBRAI-UHFFFAOYSA-N 1 0 328.390 0.933 20 5 ECBDRO Cc1cc(S(=O)(=O)NCCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000188204153 437535076 /nfs/dbraw/zinc/53/50/76/437535076.db2.gz FCRHTTYLZCUTQU-UHFFFAOYSA-N 1 0 342.421 0.429 20 5 ECBDRO COc1ccc(CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000343217901 437537780 /nfs/dbraw/zinc/53/77/80/437537780.db2.gz AYIMXXPRIMTEFV-AWEZNQCLSA-N 1 0 334.376 0.610 20 5 ECBDRO C[C@H](O)C[NH+]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000189308034 437589633 /nfs/dbraw/zinc/58/96/33/437589633.db2.gz LCVSOMRUSDILKO-ZFWWWQNUSA-N 1 0 339.392 0.333 20 5 ECBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000360746958 437644554 /nfs/dbraw/zinc/64/45/54/437644554.db2.gz QRSQYMVXEFSIPW-NSHDSACASA-N 1 0 325.369 0.295 20 5 ECBDRO C[C@H]1COCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000192509167 437679192 /nfs/dbraw/zinc/67/91/92/437679192.db2.gz UCVPBLHZELQWTB-FZMZJTMJSA-N 1 0 343.405 0.888 20 5 ECBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000356466607 437768890 /nfs/dbraw/zinc/76/88/90/437768890.db2.gz XYFSWZLOOUOBNP-UHFFFAOYSA-N 1 0 337.380 0.703 20 5 ECBDRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000364922634 437825490 /nfs/dbraw/zinc/82/54/90/437825490.db2.gz OEYOGDPGTDRVHD-ZDUSSCGKSA-N 1 0 337.376 0.889 20 5 ECBDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)CC2)C1 ZINC000363218772 437775160 /nfs/dbraw/zinc/77/51/60/437775160.db2.gz LVXBLKNTRLVPID-GFCCVEGCSA-N 1 0 349.391 0.547 20 5 ECBDRO CC(C)[NH+]1CCN([C@@H]2CCN(c3ncc([N+](=O)[O-])c(N)n3)C2)CC1 ZINC000363922507 437809159 /nfs/dbraw/zinc/80/91/59/437809159.db2.gz QLVXQTFNSDPJSF-GFCCVEGCSA-N 1 0 335.412 0.572 20 5 ECBDRO CC1CC[NH+](C[C@@H](O)CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000341586455 437870279 /nfs/dbraw/zinc/87/02/79/437870279.db2.gz HJIHEVJGMDKTOH-LBPRGKRZSA-N 1 0 338.364 0.518 20 5 ECBDRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423844690 437841328 /nfs/dbraw/zinc/84/13/28/437841328.db2.gz MBSHYCYJXKYONB-ZDUSSCGKSA-N 1 0 342.783 0.964 20 5 ECBDRO C[NH+](C)CCOCCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000347173715 437848297 /nfs/dbraw/zinc/84/82/97/437848297.db2.gz IUYMGENMVZQUMR-UHFFFAOYSA-N 1 0 331.394 0.592 20 5 ECBDRO CN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@H](C[NH3+])C1CC1 ZINC000423950868 437866067 /nfs/dbraw/zinc/86/60/67/437866067.db2.gz OMLBYMJSMCZCRS-CQSZACIVSA-N 1 0 330.348 0.985 20 5 ECBDRO O=C(C1C[NH2+]C1)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000424285295 437921047 /nfs/dbraw/zinc/92/10/47/437921047.db2.gz OXIJCEJFLNJLCK-UHFFFAOYSA-N 1 0 344.375 0.729 20 5 ECBDRO CC(=O)NCC[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000347647792 437923817 /nfs/dbraw/zinc/92/38/17/437923817.db2.gz PLRMQZYWFJOVEX-CQSZACIVSA-N 1 0 336.392 0.995 20 5 ECBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424046423 437882423 /nfs/dbraw/zinc/88/24/23/437882423.db2.gz QFRVCNAHTCIIFI-LSDHHAIUSA-N 1 0 343.343 0.593 20 5 ECBDRO COc1cc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000424228724 437906925 /nfs/dbraw/zinc/90/69/25/437906925.db2.gz UGRNWKAQJFTHCO-QWHCGFSZSA-N 1 0 345.359 0.904 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)NC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000416498534 437946838 /nfs/dbraw/zinc/94/68/38/437946838.db2.gz VTNCHFWHXSAGTI-VIFPVBQESA-N 1 0 345.377 0.610 20 5 ECBDRO CCCc1n[nH]c(C(=O)NC[C@@]2(COC)CCC[NH2+]2)c1[N+](=O)[O-] ZINC000357285304 437955016 /nfs/dbraw/zinc/95/50/16/437955016.db2.gz JHWBIDOILJALKO-CQSZACIVSA-N 1 0 325.369 0.769 20 5 ECBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)C[NH+](C)C ZINC000357600140 438021620 /nfs/dbraw/zinc/02/16/20/438021620.db2.gz YVMLTUTYAKWPQV-SNVBAGLBSA-N 1 0 338.364 0.998 20 5 ECBDRO CC(C)(C(N)=O)N1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000348275875 438039751 /nfs/dbraw/zinc/03/97/51/438039751.db2.gz JXWNYGAQYRTUJO-UHFFFAOYSA-N 1 0 336.392 0.855 20 5 ECBDRO CC[NH+]1CCN(CCNC(=O)c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000357497272 438000048 /nfs/dbraw/zinc/00/00/48/438000048.db2.gz IGWWTBMVTUDPRS-UHFFFAOYSA-N 1 0 336.392 0.971 20 5 ECBDRO O=C(CC[N@@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000366307624 438050170 /nfs/dbraw/zinc/05/01/70/438050170.db2.gz DUZQQACRQMEPSY-GHMZBOCLSA-N 1 0 346.343 0.518 20 5 ECBDRO C[NH2+]C[C@@H](C)CNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000429405101 438099618 /nfs/dbraw/zinc/09/96/18/438099618.db2.gz RHGBKTPVMAXERZ-SECBINFHSA-N 1 0 340.405 0.758 20 5 ECBDRO CCN1C(=O)N=NC1C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000372293139 438065320 /nfs/dbraw/zinc/06/53/20/438065320.db2.gz GWLCNHUXPDOFLL-UHFFFAOYSA-N 1 0 335.368 0.988 20 5 ECBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCCN1CC[NH2+]CC1 ZINC000418288804 438125035 /nfs/dbraw/zinc/12/50/35/438125035.db2.gz BWTUOGYQGRUFML-UHFFFAOYSA-N 1 0 335.408 0.684 20 5 ECBDRO O=C(N[C@@H]1CC[NH2+]C1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000418374917 438138883 /nfs/dbraw/zinc/13/88/83/438138883.db2.gz HHMJSDMQFFGOAC-CYBMUJFWSA-N 1 0 347.375 0.424 20 5 ECBDRO C[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)[C@H](c1ccccc1)[NH+](C)C ZINC000349222356 438142891 /nfs/dbraw/zinc/14/28/91/438142891.db2.gz YRYCBZOYFWATOT-SMDDNHRTSA-N 1 0 332.364 0.994 20 5 ECBDRO C[C@H](C[NH3+])CNC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418467511 438148377 /nfs/dbraw/zinc/14/83/77/438148377.db2.gz ABQGPUIOGOKULQ-GFCCVEGCSA-N 1 0 349.391 0.657 20 5 ECBDRO C[C@H](NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000418787345 438187923 /nfs/dbraw/zinc/18/79/23/438187923.db2.gz UCUKITUCVUQZKZ-SUHUHFCYSA-N 1 0 332.360 0.592 20 5 ECBDRO C[C@@H](NC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000418872639 438230059 /nfs/dbraw/zinc/23/00/59/438230059.db2.gz SHUJLXHUBXAYCA-TZMCWYRMSA-N 1 0 348.403 0.758 20 5 ECBDRO O=C(CC[N@@H+]1CC[C@@H]2C(=O)NC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000368100442 438288875 /nfs/dbraw/zinc/28/88/75/438288875.db2.gz QFDLRKWFOBWNQU-FZMZJTMJSA-N 1 0 332.360 0.991 20 5 ECBDRO C[NH+]1C[C@H]2CN(C(=O)C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000351566305 438290981 /nfs/dbraw/zinc/29/09/81/438290981.db2.gz DPOCBAPUHDEHHT-UWVGGRQHSA-N 1 0 336.323 0.692 20 5 ECBDRO [NH3+]C[C@@H](NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000418917397 438247900 /nfs/dbraw/zinc/24/79/00/438247900.db2.gz AYXXWZKHOWIFMW-OAHLLOKOSA-N 1 0 348.403 0.887 20 5 ECBDRO C[C@@H]1CCN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000418921683 438249931 /nfs/dbraw/zinc/24/99/31/438249931.db2.gz JRVUXUVGNCZDEZ-TZMCWYRMSA-N 1 0 348.403 0.697 20 5 ECBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418928432 438252920 /nfs/dbraw/zinc/25/29/20/438252920.db2.gz ZGIIBXFIGJPFKE-KGLIPLIRSA-N 1 0 346.387 0.321 20 5 ECBDRO COc1ccc(CNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000418934354 438254209 /nfs/dbraw/zinc/25/42/09/438254209.db2.gz JARUOEVTGJFNAZ-JTQLQIEISA-N 1 0 336.348 0.040 20 5 ECBDRO C[NH+](C)Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nc1 ZINC000377673270 438321844 /nfs/dbraw/zinc/32/18/44/438321844.db2.gz XBRXBNXPJYOWAW-ZIAGYGMSSA-N 1 0 333.392 0.457 20 5 ECBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000351766512 438334455 /nfs/dbraw/zinc/33/44/55/438334455.db2.gz WLULDJKLWILXII-ZYHUDNBSSA-N 1 0 330.348 0.985 20 5 ECBDRO C[C@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000419133273 438339511 /nfs/dbraw/zinc/33/95/11/438339511.db2.gz FTWPUHBQRANAGU-NTZNESFSSA-N 1 0 334.376 0.968 20 5 ECBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368191834 438298709 /nfs/dbraw/zinc/29/87/09/438298709.db2.gz CJHVMDAZNATRKK-USWWRNFRSA-N 1 0 338.339 0.529 20 5 ECBDRO O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419044644 438302947 /nfs/dbraw/zinc/30/29/47/438302947.db2.gz ULRNUIFTSDNJJM-KBPBESRZSA-N 1 0 346.387 0.321 20 5 ECBDRO C[NH2+]CCCN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000435878914 438390511 /nfs/dbraw/zinc/39/05/11/438390511.db2.gz HILLARCRNMRUIC-UHFFFAOYSA-N 1 0 342.421 0.511 20 5 ECBDRO Cc1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000389870269 438429019 /nfs/dbraw/zinc/42/90/19/438429019.db2.gz BYEBYMNEQIWUNQ-LLVKDONJSA-N 1 0 329.378 0.560 20 5 ECBDRO C[C@@H]1[C@H](C)[NH2+]CCN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000436064729 438398268 /nfs/dbraw/zinc/39/82/68/438398268.db2.gz MZRYPZZXNCCOBA-VHSXEESVSA-N 1 0 336.348 0.944 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)N[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000420408330 438406945 /nfs/dbraw/zinc/40/69/45/438406945.db2.gz VUGNZRNTDPVISO-VIFPVBQESA-N 1 0 343.361 0.412 20 5 ECBDRO C[C@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000420602627 438412903 /nfs/dbraw/zinc/41/29/03/438412903.db2.gz BODKOWKMTDVESO-NSHDSACASA-N 1 0 336.392 0.975 20 5 ECBDRO C[NH+](C)[C@@]1(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCSC1 ZINC000359683739 438478609 /nfs/dbraw/zinc/47/86/09/438478609.db2.gz XCMQMHVTJPMDTK-CQSZACIVSA-N 1 0 340.405 0.310 20 5 ECBDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCOC1 ZINC000420972721 438454223 /nfs/dbraw/zinc/45/42/23/438454223.db2.gz LCIXVWVFZFFSOL-GFCCVEGCSA-N 1 0 343.405 0.841 20 5 ECBDRO CC(C)(NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1nnn[n-]1 ZINC000359791264 438497255 /nfs/dbraw/zinc/49/72/55/438497255.db2.gz QLXXWFBPFWKBLA-UHFFFAOYSA-N 1 0 342.319 0.959 20 5 ECBDRO CCc1n[nH]c(C(=O)N2CCCN(CC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000370066562 438547465 /nfs/dbraw/zinc/54/74/65/438547465.db2.gz TYRSRPNWUGPWAC-UHFFFAOYSA-N 1 0 338.412 0.590 20 5 ECBDRO NC(=O)NC(=O)CCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440504579 438554315 /nfs/dbraw/zinc/55/43/15/438554315.db2.gz MHYYEZCTZKXETP-SNVBAGLBSA-N 1 0 336.352 0.451 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CCC[C@H](CC[NH3+])C2)c([N+](=O)[O-])n1 ZINC000440801904 438565797 /nfs/dbraw/zinc/56/57/97/438565797.db2.gz PXVXIVTXRHTLQY-SNVBAGLBSA-N 1 0 331.398 0.561 20 5 ECBDRO COCCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)C[NH3+])cc1OC ZINC000441612358 438588903 /nfs/dbraw/zinc/58/89/03/438588903.db2.gz OQIHKUBHIWWVIP-SNVBAGLBSA-N 1 0 341.364 0.953 20 5 ECBDRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000408376173 438563809 /nfs/dbraw/zinc/56/38/09/438563809.db2.gz VWHBOWBYUQWBJE-AWEZNQCLSA-N 1 0 348.407 0.345 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N[C@H]2CCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000422868002 438612010 /nfs/dbraw/zinc/61/20/10/438612010.db2.gz UGGOXLGFBZUGLF-OLZOCXBDSA-N 1 0 334.376 0.877 20 5 ECBDRO C[NH2+]C[C@H]1CCCN1C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000422892794 438613631 /nfs/dbraw/zinc/61/36/31/438613631.db2.gz NVZKTJVRGVNRRH-CYBMUJFWSA-N 1 0 334.376 0.843 20 5 ECBDRO C[C@H]1CC[NH2+]C[C@H]1NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422979794 438623525 /nfs/dbraw/zinc/62/35/25/438623525.db2.gz KGWZKQPEDXBCRQ-NWDGAFQWSA-N 1 0 342.421 0.461 20 5 ECBDRO C[C@@H]1CC[NH2+]C[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423031027 438629660 /nfs/dbraw/zinc/62/96/60/438629660.db2.gz CRMFQPCSSPBKAW-RISCZKNCSA-N 1 0 327.406 0.956 20 5 ECBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423110793 438639389 /nfs/dbraw/zinc/63/93/89/438639389.db2.gz VWPZPDAYLRVGKQ-QGZVFWFLSA-N 1 0 346.387 0.765 20 5 ECBDRO [NH3+][C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)C1CC1 ZINC000423478085 438680942 /nfs/dbraw/zinc/68/09/42/438680942.db2.gz MJUPIJHFKBDDBW-CYBMUJFWSA-N 1 0 334.376 0.899 20 5 ECBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423582435 438691196 /nfs/dbraw/zinc/69/11/96/438691196.db2.gz GKOKEVKTAVKSIM-OKILXGFUSA-N 1 0 346.387 0.274 20 5 ECBDRO CC(C)C[C@H]([NH3+])CNCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000415084084 438728016 /nfs/dbraw/zinc/72/80/16/438728016.db2.gz QXCLWVRZUFQGCR-LBPRGKRZSA-N 1 0 344.437 0.836 20 5 ECBDRO CCOc1ccc(C(=O)NCC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000574982098 438730933 /nfs/dbraw/zinc/73/09/33/438730933.db2.gz KGLIIAILTPXGPL-UHFFFAOYSA-N 1 0 336.348 0.155 20 5 ECBDRO CNc1nc(C(=O)NC2(CCO)CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000456000600 438756225 /nfs/dbraw/zinc/75/62/25/438756225.db2.gz TYGWEDJLQVTLRM-UHFFFAOYSA-N 1 0 337.380 0.608 20 5 ECBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1COCCO1 ZINC000595744032 438854683 /nfs/dbraw/zinc/85/46/83/438854683.db2.gz UNXBMTJKZSYDGP-ZFWWWQNUSA-N 1 0 326.349 0.682 20 5 ECBDRO O=C(NCC12CC(C1)C[NH2+]2)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000595951838 438898562 /nfs/dbraw/zinc/89/85/62/438898562.db2.gz UDGQHQXFQQEACM-UHFFFAOYSA-N 1 0 328.332 0.657 20 5 ECBDRO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000595770020 438857904 /nfs/dbraw/zinc/85/79/04/438857904.db2.gz MEYYQGLZMJXZOU-IMJJTQAJSA-N 1 0 348.407 0.887 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC(CO)(CO)C1 ZINC000595804758 438865924 /nfs/dbraw/zinc/86/59/24/438865924.db2.gz CYDNOGZZNSGXHK-LBPRGKRZSA-N 1 0 326.349 0.011 20 5 ECBDRO CNc1nccc(C(=O)NCC2([NH+](C)C)CCOCC2)c1[N+](=O)[O-] ZINC000577767129 438871591 /nfs/dbraw/zinc/87/15/91/438871591.db2.gz SUEAORPRQDCQOV-UHFFFAOYSA-N 1 0 337.380 0.872 20 5 ECBDRO NC(=O)c1ccnc(N2CCC[N@H+](C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000589559072 438878169 /nfs/dbraw/zinc/87/81/69/438878169.db2.gz MUGGOZMOBRBAEA-GFCCVEGCSA-N 1 0 349.391 0.780 20 5 ECBDRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000595926618 438886859 /nfs/dbraw/zinc/88/68/59/438886859.db2.gz IXHBAUVCMHTGCN-OLZOCXBDSA-N 1 0 335.364 0.002 20 5 ECBDRO O=C1NCCc2ccc(C[NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)cc21 ZINC000516646678 438919390 /nfs/dbraw/zinc/91/93/90/438919390.db2.gz ISRGDGBQTCBVMG-CQSZACIVSA-N 1 0 345.359 0.228 20 5 ECBDRO NS(=O)(=O)c1ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000596091549 438924615 /nfs/dbraw/zinc/92/46/15/438924615.db2.gz NHBCTADJQRNBPA-SNVBAGLBSA-N 1 0 326.378 0.891 20 5 ECBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000516938129 438939542 /nfs/dbraw/zinc/93/95/42/438939542.db2.gz JVQQUCUWKKVCEJ-WCQYABFASA-N 1 0 332.360 0.596 20 5 ECBDRO Nc1nc(NCC2CC[NH+](Cc3ccncc3)CC2)ncc1[N+](=O)[O-] ZINC000596441997 438964776 /nfs/dbraw/zinc/96/47/76/438964776.db2.gz SXEYGLAZEAIELK-UHFFFAOYSA-N 1 0 343.391 1.108 20 5 ECBDRO NC(=O)c1cccc([N+](=O)[O-])c1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000596537166 438974145 /nfs/dbraw/zinc/97/41/45/438974145.db2.gz BNHPJGPBTJSMPX-GFCCVEGCSA-N 1 0 334.376 0.729 20 5 ECBDRO COC(=O)[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC[N@H+](C)C1 ZINC000591189339 438988844 /nfs/dbraw/zinc/98/88/44/438988844.db2.gz JNCVMAHRXNFRSK-LLVKDONJSA-N 1 0 338.364 0.210 20 5 ECBDRO O=C(NC[C@@H]1CCCC[NH2+]1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000591358646 439008066 /nfs/dbraw/zinc/00/80/66/439008066.db2.gz PWEPLFKJGOOBDM-ZDUSSCGKSA-N 1 0 348.407 0.964 20 5 ECBDRO Cc1nc(N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000591425693 439013726 /nfs/dbraw/zinc/01/37/26/439013726.db2.gz HQWNPEHXJQHBPH-ZDUSSCGKSA-N 1 0 333.392 0.946 20 5 ECBDRO NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000591439073 439014624 /nfs/dbraw/zinc/01/46/24/439014624.db2.gz SJJJFIFDOPGVQC-ZANVPECISA-N 1 0 326.378 0.430 20 5 ECBDRO NC(=O)c1cccc([N+](=O)[O-])c1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000591459299 439016968 /nfs/dbraw/zinc/01/69/68/439016968.db2.gz PPONDJJPNCRYER-JSGCOSHPSA-N 1 0 334.376 0.729 20 5 ECBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)CCNc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000566496965 439064641 /nfs/dbraw/zinc/06/46/41/439064641.db2.gz VUNKUJKDXGXWLB-VXGBXAGGSA-N 1 0 347.375 0.167 20 5 ECBDRO C[C@H](C[C@H](C)[NH3+])NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000520229141 439074538 /nfs/dbraw/zinc/07/45/38/439074538.db2.gz BZGFTKFDWJLKPB-DTWKUNHWSA-N 1 0 345.377 0.770 20 5 ECBDRO CC(C)(C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000591749609 439079881 /nfs/dbraw/zinc/07/98/81/439079881.db2.gz BEHLNLKBQFKBPA-NSHDSACASA-N 1 0 346.405 0.747 20 5 ECBDRO CN1C(=O)CC[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1=O ZINC000566733728 439084610 /nfs/dbraw/zinc/08/46/10/439084610.db2.gz XXWCBYKVFHKPQG-WDEREUQCSA-N 1 0 337.332 0.072 20 5 ECBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC[N@@H+]2CC[C@H]1C2 ZINC000597710895 439166357 /nfs/dbraw/zinc/16/63/57/439166357.db2.gz YCSCASXIBUNUFF-LBPRGKRZSA-N 1 0 346.343 0.237 20 5 ECBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000581245897 439188901 /nfs/dbraw/zinc/18/89/01/439188901.db2.gz XGPHCBGIECHKAC-GARJFASQSA-N 1 0 336.348 0.741 20 5 ECBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000581245896 439188913 /nfs/dbraw/zinc/18/89/13/439188913.db2.gz XGPHCBGIECHKAC-DCAQKATOSA-N 1 0 336.348 0.741 20 5 ECBDRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC000597874734 439196286 /nfs/dbraw/zinc/19/62/86/439196286.db2.gz QWAZTMZGLZEIPC-UHFFFAOYSA-N 1 0 337.380 0.939 20 5 ECBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CCO1 ZINC000592307872 439198717 /nfs/dbraw/zinc/19/87/17/439198717.db2.gz KDSPLSZSZJLFGV-XHDPSFHLSA-N 1 0 345.359 0.969 20 5 ECBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CCO1 ZINC000592308458 439199675 /nfs/dbraw/zinc/19/96/75/439199675.db2.gz MXMBZWPXTGSWKX-TVQRCGJNSA-N 1 0 337.332 0.554 20 5 ECBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CCO1 ZINC000592308456 439199707 /nfs/dbraw/zinc/19/97/07/439199707.db2.gz MXMBZWPXTGSWKX-NOZJJQNGSA-N 1 0 337.332 0.554 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2CCC(C)([NH3+])CC2)ccc1[N+](=O)[O-] ZINC000592331114 439207028 /nfs/dbraw/zinc/20/70/28/439207028.db2.gz IBDPHGFHBGLIRA-UHFFFAOYSA-N 1 0 334.376 0.973 20 5 ECBDRO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000597991812 439209074 /nfs/dbraw/zinc/20/90/74/439209074.db2.gz SFTUXRJRSBLPCS-ZDUSSCGKSA-N 1 0 345.359 0.815 20 5 ECBDRO O=[N+]([O-])c1ccc(OCCn2cc(CN3CC[NH2+]CC3)nn2)cc1 ZINC000603202170 439209479 /nfs/dbraw/zinc/20/94/79/439209479.db2.gz WGJGOOCURRKHFP-UHFFFAOYSA-N 1 0 332.364 0.671 20 5 ECBDRO Cc1cc(C)c(S(=O)(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000592374252 439214066 /nfs/dbraw/zinc/21/40/66/439214066.db2.gz IJQQGJDBFKWEIH-DGCLKSJQSA-N 1 0 343.405 0.948 20 5 ECBDRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000592375003 439214476 /nfs/dbraw/zinc/21/44/76/439214476.db2.gz RAETXIVPBZJDAK-RISCZKNCSA-N 1 0 343.405 0.515 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)N[C@H]2C[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000592383121 439215529 /nfs/dbraw/zinc/21/55/29/439215529.db2.gz IFQVZMUFYNDZPA-OCAPTIKFSA-N 1 0 329.334 0.149 20 5 ECBDRO Cc1nn(C)c(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000598538577 439277115 /nfs/dbraw/zinc/27/71/15/439277115.db2.gz BHAMXFCUUQSKOJ-GFCCVEGCSA-N 1 0 339.396 0.820 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000592475094 439237192 /nfs/dbraw/zinc/23/71/92/439237192.db2.gz NHYNLPVDDLSEPM-IINYFYTJSA-N 1 0 338.364 0.590 20 5 ECBDRO CC[C@H]([NH3+])C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000489880010 439245198 /nfs/dbraw/zinc/24/51/98/439245198.db2.gz GBPUPQYSPVGTLD-JTQLQIEISA-N 1 0 344.393 0.264 20 5 ECBDRO COCCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[NH3+])cc1OC ZINC000592546922 439248153 /nfs/dbraw/zinc/24/81/53/439248153.db2.gz LPVHZYSVZYDPCH-SECBINFHSA-N 1 0 327.337 0.706 20 5 ECBDRO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000598452533 439264358 /nfs/dbraw/zinc/26/43/58/439264358.db2.gz LMORGUBKUVNKQH-GFCCVEGCSA-N 1 0 336.348 0.367 20 5 ECBDRO C[N@@H+]1CCC[C@H](NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598896426 439324278 /nfs/dbraw/zinc/32/42/78/439324278.db2.gz IKKFXMZFLNIFNK-LBPRGKRZSA-N 1 0 335.364 0.927 20 5 ECBDRO O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000582410601 439331320 /nfs/dbraw/zinc/33/13/20/439331320.db2.gz FSEDXQWFZGQMSG-MRXNPFEDSA-N 1 0 332.360 0.423 20 5 ECBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598665244 439299554 /nfs/dbraw/zinc/29/95/54/439299554.db2.gz NTWXDTNQBYIRTP-MNOVXSKESA-N 1 0 335.364 0.912 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)cccc1[N+](=O)[O-] ZINC000598683408 439303160 /nfs/dbraw/zinc/30/31/60/439303160.db2.gz GDWCFGFEBUSDQG-DYVFJYSZSA-N 1 0 346.387 0.859 20 5 ECBDRO C[NH2+]CCOCCNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000599106642 439358962 /nfs/dbraw/zinc/35/89/62/439358962.db2.gz FLMMXDKPYNACEL-UHFFFAOYSA-N 1 0 333.366 0.118 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]([NH3+])Cc3ccccc32)n1 ZINC000599103969 439359048 /nfs/dbraw/zinc/35/90/48/439359048.db2.gz YACQHXBENMSNMF-SNVBAGLBSA-N 1 0 337.361 0.407 20 5 ECBDRO C[NH2+]CCOCCNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000599107981 439360858 /nfs/dbraw/zinc/36/08/58/439360858.db2.gz QBRRDNLOSSNCNI-UHFFFAOYSA-N 1 0 331.394 0.726 20 5 ECBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)CCOCC[NH3+])cc1C ZINC000599110632 439362010 /nfs/dbraw/zinc/36/20/10/439362010.db2.gz DHKWGUOMOSODME-UHFFFAOYSA-N 1 0 331.394 0.807 20 5 ECBDRO C[NH+](C)CCN1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1=O ZINC000593234615 439355438 /nfs/dbraw/zinc/35/54/38/439355438.db2.gz KIOZCGMZFOQESI-UHFFFAOYSA-N 1 0 334.376 0.370 20 5 ECBDRO Cc1ccc(S(=O)(=O)NC2(C[NH3+])CCOCC2)cc1[N+](=O)[O-] ZINC000599101339 439356961 /nfs/dbraw/zinc/35/69/61/439356961.db2.gz COVJXLIZIIGMBF-UHFFFAOYSA-N 1 0 329.378 0.689 20 5 ECBDRO C[NH2+]CCOCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000599106654 439357971 /nfs/dbraw/zinc/35/79/71/439357971.db2.gz FWOGXWPJLMCGGW-UHFFFAOYSA-N 1 0 347.393 0.460 20 5 ECBDRO C[C@@H]1CCCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000599103965 439357993 /nfs/dbraw/zinc/35/79/93/439357993.db2.gz XUMUQHCTTJPLKG-ZJUUUORDSA-N 1 0 331.398 0.466 20 5 ECBDRO C[NH2+]CCOCCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000599105910 439358464 /nfs/dbraw/zinc/35/84/64/439358464.db2.gz GFHGHQFEXHMNQS-UHFFFAOYSA-N 1 0 347.393 0.460 20 5 ECBDRO CCc1ccc(S(=O)(=O)NC2(C[NH3+])CCOCC2)cc1[N+](=O)[O-] ZINC000599104390 439358800 /nfs/dbraw/zinc/35/88/00/439358800.db2.gz VCHACFFRIQYAIA-UHFFFAOYSA-N 1 0 343.405 0.943 20 5 ECBDRO CC1([NH+]2CCOCC2)CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000599160268 439369732 /nfs/dbraw/zinc/36/97/32/439369732.db2.gz KWNIWIXUAAELHB-UHFFFAOYSA-N 1 0 349.391 0.780 20 5 ECBDRO C[NH+]1CCC(CNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000569878475 439372046 /nfs/dbraw/zinc/37/20/46/439372046.db2.gz MHSJHBYUIRNVDS-UHFFFAOYSA-N 1 0 328.394 0.996 20 5 ECBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)NCCc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000569943150 439378165 /nfs/dbraw/zinc/37/81/65/439378165.db2.gz VSUFOHGRTOQECM-UONOGXRCSA-N 1 0 347.375 0.091 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2([NH+](C)C)CCCCC2)n1 ZINC000599202836 439379894 /nfs/dbraw/zinc/37/98/94/439379894.db2.gz BQLRHFGTENUXOM-UHFFFAOYSA-N 1 0 345.425 0.871 20 5 ECBDRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599247626 439399397 /nfs/dbraw/zinc/39/93/97/439399397.db2.gz GKTAYEGELBQTPV-LLVKDONJSA-N 1 0 345.425 0.823 20 5 ECBDRO Cn1cc(N2CCC[C@H]([NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000570038051 439384515 /nfs/dbraw/zinc/38/45/15/439384515.db2.gz RRLRCVOBXPPYGX-WFASDCNBSA-N 1 0 349.395 0.144 20 5 ECBDRO CCc1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000582848124 439388670 /nfs/dbraw/zinc/38/86/70/439388670.db2.gz GYRPBJQLWKWEGV-LBPRGKRZSA-N 1 0 342.421 0.421 20 5 ECBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599288735 439419303 /nfs/dbraw/zinc/41/93/03/439419303.db2.gz NXLDHTHSSVSVCH-UHFFFAOYSA-N 1 0 345.425 0.825 20 5 ECBDRO O=C(C[C@@H]1COCC[NH2+]1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000583201588 439431897 /nfs/dbraw/zinc/43/18/97/439431897.db2.gz HTMAAGHUSMSFQF-LLVKDONJSA-N 1 0 331.332 1.302 20 5 ECBDRO CCO[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C[NH3+] ZINC000593730908 439455905 /nfs/dbraw/zinc/45/59/05/439455905.db2.gz NHVHVQWJBIMFEU-BXUZGUMPSA-N 1 0 343.405 0.888 20 5 ECBDRO O=C([C@@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1)N1CC[NH2+]CC1 ZINC000593724982 439455039 /nfs/dbraw/zinc/45/50/39/439455039.db2.gz DEWBKCKTIINNRH-CYBMUJFWSA-N 1 0 348.403 0.944 20 5 ECBDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000593918113 439494293 /nfs/dbraw/zinc/49/42/93/439494293.db2.gz ARCYNYNZKQYYBI-UPJWGTAASA-N 1 0 337.380 0.679 20 5 ECBDRO [NH3+]CC1(CCNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000593915003 439494615 /nfs/dbraw/zinc/49/46/15/439494615.db2.gz SOJJXFJRDWJYFQ-UHFFFAOYSA-N 1 0 348.359 0.565 20 5 ECBDRO O=C(CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000594027998 439509599 /nfs/dbraw/zinc/50/95/99/439509599.db2.gz YNYMQSUTOCWYIQ-LSDHHAIUSA-N 1 0 346.387 0.235 20 5 ECBDRO CNc1nccc(C(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000594333117 439542418 /nfs/dbraw/zinc/54/24/18/439542418.db2.gz UNSYNVAAPQXCNS-WDEREUQCSA-N 1 0 339.421 1.149 20 5 ECBDRO [NH3+]CCCOCCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599895797 439570871 /nfs/dbraw/zinc/57/08/71/439570871.db2.gz KXLQQKHFZQQPSD-UHFFFAOYSA-N 1 0 344.755 0.668 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC1(C[NH3+])CCOCC1 ZINC000599907345 439574120 /nfs/dbraw/zinc/57/41/20/439574120.db2.gz MLGHMECORQLWOA-UHFFFAOYSA-N 1 0 338.364 0.911 20 5 ECBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000599900284 439574323 /nfs/dbraw/zinc/57/43/23/439574323.db2.gz VJLNBBITDIDTIU-LLVKDONJSA-N 1 0 336.348 0.255 20 5 ECBDRO COc1ccc(CC(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000599938341 439578703 /nfs/dbraw/zinc/57/87/03/439578703.db2.gz NTPLBMYTKIDXEV-KBPBESRZSA-N 1 0 349.387 0.813 20 5 ECBDRO CC(C)c1[nH]nc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599939520 439581537 /nfs/dbraw/zinc/58/15/37/439581537.db2.gz WGZOUHXANGXFSU-GHMZBOCLSA-N 1 0 337.380 0.722 20 5 ECBDRO CO[C@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000594717991 439596018 /nfs/dbraw/zinc/59/60/18/439596018.db2.gz JRKZHCCWVXYYKW-DVOMOZLQSA-N 1 0 340.376 0.976 20 5 ECBDRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594753763 439602708 /nfs/dbraw/zinc/60/27/08/439602708.db2.gz MXGNOBIABNKWBM-NSHDSACASA-N 1 0 328.394 0.952 20 5 ECBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000610260681 439607139 /nfs/dbraw/zinc/60/71/39/439607139.db2.gz GIKXBVRUXFKGMC-SNVBAGLBSA-N 1 0 326.378 0.752 20 5 ECBDRO C[C@@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000572764854 439607950 /nfs/dbraw/zinc/60/79/50/439607950.db2.gz QDWWSNWNIBXJDC-JGVFFNPUSA-N 1 0 326.378 0.638 20 5 ECBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000572764853 439609191 /nfs/dbraw/zinc/60/91/91/439609191.db2.gz QDWWSNWNIBXJDC-HTQZYQBOSA-N 1 0 326.378 0.638 20 5 ECBDRO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000584715068 439610475 /nfs/dbraw/zinc/61/04/75/439610475.db2.gz DOALOQQSSVJSDS-DSPQJCBJSA-N 1 0 349.387 0.933 20 5 ECBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000573754611 439664175 /nfs/dbraw/zinc/66/41/75/439664175.db2.gz IGHAWFMDQHUPPK-DOMZBBRYSA-N 1 0 337.376 0.907 20 5 ECBDRO Cn1c2cc([N+](=O)[O-])c(N3CCN(CCCO)CC3)cc2n(C)c1=O ZINC000587617160 439667275 /nfs/dbraw/zinc/66/72/75/439667275.db2.gz FWYVLLNLZXRSPY-UHFFFAOYSA-N 1 0 349.391 0.290 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H](O)[C@H]1CCCO1 ZINC000600752507 439699666 /nfs/dbraw/zinc/69/96/66/439699666.db2.gz BYUICPTXNGRBSL-OSAQELSMSA-N 1 0 326.349 0.464 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H](O)[C@H]2CCCO2)c1 ZINC000600761006 439700511 /nfs/dbraw/zinc/70/05/11/439700511.db2.gz VUXNKUKAYBVZPN-BPLDGKMQSA-N 1 0 326.349 0.464 20 5 ECBDRO C[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000611572439 439707338 /nfs/dbraw/zinc/70/73/38/439707338.db2.gz ARWMPDDJICBGRY-NEPJUHHUSA-N 1 0 336.396 0.956 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H](n2cccn2)C(F)(F)F)c1 ZINC000600744500 439697961 /nfs/dbraw/zinc/69/79/61/439697961.db2.gz GOXYZPQOONBLHA-GHMZBOCLSA-N 1 0 348.285 0.742 20 5 ECBDRO COC1(CO)CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000618550716 440132714 /nfs/dbraw/zinc/13/27/14/440132714.db2.gz BDXQSBDDCGMKMW-CYBMUJFWSA-N 1 0 340.376 0.808 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000330600937 320842798 /nfs/dbraw/zinc/84/27/98/320842798.db2.gz GCTRCUMZOFYYID-UWVGGRQHSA-N 1 0 331.398 0.278 20 5 ECBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000330940440 320875057 /nfs/dbraw/zinc/87/50/57/320875057.db2.gz CLUGQEVQZACQGV-NEPJUHHUSA-N 1 0 338.412 0.990 20 5 ECBDRO COc1cc(CN2CCN(C(=O)C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000351971409 321343117 /nfs/dbraw/zinc/34/31/17/321343117.db2.gz SRVUYGQKNHKMOZ-UHFFFAOYSA-N 1 0 336.392 0.809 20 5 ECBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352516526 321362982 /nfs/dbraw/zinc/36/29/82/321362982.db2.gz APYHWPDQYIZCSY-CQSZACIVSA-N 1 0 347.419 0.821 20 5 ECBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000356465753 321532483 /nfs/dbraw/zinc/53/24/83/321532483.db2.gz ZCCANKOOONFSFI-NSHDSACASA-N 1 0 325.369 0.511 20 5 ECBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NCC(=O)N1CC[NH2+]CC1 ZINC000493748971 321946423 /nfs/dbraw/zinc/94/64/23/321946423.db2.gz FCNDDHLDFGWQEH-DUXPYHPUSA-N 1 0 336.323 0.295 20 5 ECBDRO O=C(CNC(=O)c1cc([N+](=O)[O-])n[nH]1)NCC[NH+]1CCCCCC1 ZINC000554232459 322169286 /nfs/dbraw/zinc/16/92/86/322169286.db2.gz HVBBJYXCUJSXHG-UHFFFAOYSA-N 1 0 338.368 0.040 20 5 ECBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)NC1C[NH2+]C1 ZINC000556988149 322201326 /nfs/dbraw/zinc/20/13/26/322201326.db2.gz ZUTJQPBYTGNFJZ-UHFFFAOYSA-N 1 0 343.137 0.384 20 5 ECBDRO C[C@H](CS(C)(=O)=O)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564854820 322399983 /nfs/dbraw/zinc/39/99/83/322399983.db2.gz BREFELBTZRXTEE-ZYHUDNBSSA-N 1 0 332.378 0.357 20 5 ECBDRO O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000564943634 322411159 /nfs/dbraw/zinc/41/11/59/322411159.db2.gz DILWAJMICOIUOQ-UHFFFAOYSA-N 1 0 347.335 0.140 20 5 ECBDRO CC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](O)C(F)(F)F ZINC000566231788 322515781 /nfs/dbraw/zinc/51/57/81/322515781.db2.gz UDNNZFLOXCBFRQ-LPEHRKFASA-N 1 0 326.275 0.444 20 5 ECBDRO CN(C)c1ncc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1C ZINC000566791964 322554486 /nfs/dbraw/zinc/55/44/86/322554486.db2.gz HLKAXDHSOMXDLN-CQSZACIVSA-N 1 0 349.391 0.924 20 5 ECBDRO [NH3+]C[C@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCCO1 ZINC000570161006 322678072 /nfs/dbraw/zinc/67/80/72/322678072.db2.gz CHQLBZMPNNTNBR-AWEZNQCLSA-N 1 0 345.359 0.970 20 5 ECBDRO CCOc1ccc(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000571179043 322712962 /nfs/dbraw/zinc/71/29/62/322712962.db2.gz FWPUJBRVKDHODW-VXGBXAGGSA-N 1 0 348.359 0.378 20 5 ECBDRO [NH3+]C1(CNC(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CCC1 ZINC000571388708 322719518 /nfs/dbraw/zinc/71/95/18/322719518.db2.gz RCMUERYVNCLLOC-UHFFFAOYSA-N 1 0 332.360 0.477 20 5 ECBDRO C[C@H]([NH3+])[C@H](C)NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000572764856 322750766 /nfs/dbraw/zinc/75/07/66/322750766.db2.gz QDWWSNWNIBXJDC-YUMQZZPRSA-N 1 0 326.378 0.638 20 5 ECBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000574757835 322784861 /nfs/dbraw/zinc/78/48/61/322784861.db2.gz KRDJJZUBUUZGQS-LLVKDONJSA-N 1 0 348.359 0.443 20 5 ECBDRO CN(C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CC[NH2+]C1 ZINC000575174055 322791949 /nfs/dbraw/zinc/79/19/49/322791949.db2.gz OBODPURWZKKNQJ-GHMZBOCLSA-N 1 0 336.348 0.613 20 5 ECBDRO Cc1cc(S(=O)(=O)NC[C@@H]2C[NH2+]CCN2C)c(C)cc1[N+](=O)[O-] ZINC000577964421 322851867 /nfs/dbraw/zinc/85/18/67/322851867.db2.gz LHHQKGVWNHXWTG-LBPRGKRZSA-N 1 0 342.421 0.394 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H](CO)CC(F)F)cc1 ZINC000579592167 322901407 /nfs/dbraw/zinc/90/14/07/322901407.db2.gz GTVYMOYTOMFHRV-SECBINFHSA-N 1 0 338.332 0.974 20 5 ECBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000266296964 535595996 /nfs/dbraw/zinc/59/59/96/535595996.db2.gz IHNHLRDHTPPNJT-CYBMUJFWSA-N 1 0 336.392 0.947 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)NCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000592367044 546293523 /nfs/dbraw/zinc/29/35/23/546293523.db2.gz PIKFIPMDRQLCDO-UHFFFAOYSA-N 1 0 343.361 0.412 20 5 ECBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000619873529 546376424 /nfs/dbraw/zinc/37/64/24/546376424.db2.gz KMCDHWCJQWCKPC-AWEZNQCLSA-N 1 0 347.419 0.903 20 5 ECBDRO CCCc1n[nH]c(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c1[N+](=O)[O-] ZINC000619874040 546376593 /nfs/dbraw/zinc/37/65/93/546376593.db2.gz WZIYCUKMHBSMQS-NSHDSACASA-N 1 0 336.396 0.390 20 5 ECBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](CCCCO)CC1 ZINC000750182782 579348564 /nfs/dbraw/zinc/34/85/64/579348564.db2.gz YTRIIEYGINJCAL-UHFFFAOYSA-N 1 0 336.392 0.849 20 5 ECBDRO CC(C)(C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)n1cc([N+](=O)[O-])cn1 ZINC000726531579 578142979 /nfs/dbraw/zinc/14/29/79/578142979.db2.gz LXCUHJQPSKKFCD-AAEUAGOBSA-N 1 0 337.380 0.506 20 5 ECBDRO CN1CC[N@H+](C)C[C@H]1CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736864124 578458843 /nfs/dbraw/zinc/45/88/43/578458843.db2.gz PITRCLXGZCJZPE-LLVKDONJSA-N 1 0 332.368 0.433 20 5 ECBDRO COCC[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@@H]1C ZINC000737002415 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334.376 0.925 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)NC2CC([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000773494092 579228148 /nfs/dbraw/zinc/22/81/48/579228148.db2.gz WKQJKNKVYVOUBY-UHFFFAOYSA-N 1 0 334.376 0.842 20 5 ECBDRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000773530399 579228742 /nfs/dbraw/zinc/22/87/42/579228742.db2.gz LFBZWRBKYYBDQG-AWEZNQCLSA-N 1 0 349.347 0.623 20 5 ECBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000762714744 579546555 /nfs/dbraw/zinc/54/65/55/579546555.db2.gz CWBMDXUNSWRRJL-GOEBONIOSA-N 1 0 348.359 0.271 20 5 ECBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CCC[N@@H+](CCO)CC1 ZINC000738359397 579623933 /nfs/dbraw/zinc/62/39/33/579623933.db2.gz QVPMFQUKACOAMI-UHFFFAOYSA-N 1 0 333.352 0.279 20 5 ECBDRO O=[N+]([O-])c1cnc(NC[C@@H](O)C[NH+]2CCCCC2)c(-c2nn[nH]n2)c1 ZINC000738368098 579624480 /nfs/dbraw/zinc/62/44/80/579624480.db2.gz DZVTZSYKKGHYBL-LLVKDONJSA-N 1 0 348.367 0.429 20 5 ECBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CN1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000748265265 579857509 /nfs/dbraw/zinc/85/75/09/579857509.db2.gz WAXGDLZYVIRDBH-KOLCDFICSA-N 1 0 332.316 0.813 20 5 ECBDRO CN1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[C@H](C[NH3+])C1 ZINC000834306665 588894904 /nfs/dbraw/zinc/89/49/04/588894904.db2.gz AHZXAPVQNOQVTR-CYBMUJFWSA-N 1 0 332.364 0.046 20 5 ECBDRO COc1cc(S(=O)(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000842744923 589034678 /nfs/dbraw/zinc/03/46/78/589034678.db2.gz XUGVDAVOHMFIEC-NOZJJQNGSA-N 1 0 345.377 0.340 20 5 ECBDRO COc1cc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000896567064 586256838 /nfs/dbraw/zinc/25/68/38/586256838.db2.gz YVPURGRNZJBBEA-BXUZGUMPSA-N 1 0 336.392 0.968 20 5 ECBDRO COC(=O)Nc1ccc(S(=O)(=O)N(C)C2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000842866503 589039941 /nfs/dbraw/zinc/03/99/41/589039941.db2.gz CPTWCYQTZSTVPS-UHFFFAOYSA-N 1 0 344.349 0.365 20 5 ECBDRO Cn1c(=O)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c2ccccc21 ZINC000894431931 586394046 /nfs/dbraw/zinc/39/40/46/586394046.db2.gz KGHBUUZQKJINRF-NWDGAFQWSA-N 1 0 344.371 0.702 20 5 ECBDRO O=C(N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C12CC[NH+](CC1)C2 ZINC000900162865 586528148 /nfs/dbraw/zinc/52/81/48/586528148.db2.gz DXNFCNZHFQTNAJ-UHFFFAOYSA-N 1 0 331.376 0.734 20 5 ECBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000843314143 589060987 /nfs/dbraw/zinc/06/09/87/589060987.db2.gz CQILANNKDDDFSM-UHFFFAOYSA-N 1 0 337.336 0.446 20 5 ECBDRO O=C(CO[C@@H]1CCC[NH2+]C1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000843492601 589071881 /nfs/dbraw/zinc/07/18/81/589071881.db2.gz SZIWFIQPBVUJGE-CYBMUJFWSA-N 1 0 337.380 0.723 20 5 ECBDRO CC[C@H](CNS(C)(=O)=O)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819343612 587476972 /nfs/dbraw/zinc/47/69/72/587476972.db2.gz OEKHRWJKWOCZIL-YPMHNXCESA-N 1 0 331.394 0.546 20 5 ECBDRO NC(=O)c1cn(CCCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000819376537 587477850 /nfs/dbraw/zinc/47/78/50/587477850.db2.gz ZKBJIUJMGQHYHF-CQSZACIVSA-N 1 0 348.363 0.389 20 5 ECBDRO C[N@@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)C[C@@H]21 ZINC000821629069 587609311 /nfs/dbraw/zinc/60/93/11/587609311.db2.gz XVDWLLWSUVPUHB-QWHCGFSZSA-N 1 0 331.336 0.294 20 5 ECBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000823620937 587735214 /nfs/dbraw/zinc/73/52/14/587735214.db2.gz TZUTVXYCNSNDPX-SNVBAGLBSA-N 1 0 328.336 0.620 20 5 ECBDRO CNc1nccc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000847406508 589245776 /nfs/dbraw/zinc/24/57/76/589245776.db2.gz CQSIKZBCGPCLMZ-MNOVXSKESA-N 1 0 335.364 0.625 20 5 ECBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000848025295 589273808 /nfs/dbraw/zinc/27/38/08/589273808.db2.gz QHYQWDFPQPLYCQ-DZGCQCFKSA-N 1 0 339.392 0.837 20 5 ECBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848585186 589300966 /nfs/dbraw/zinc/30/09/66/589300966.db2.gz HOTSDUQJFRIKOI-ZDUSSCGKSA-N 1 0 347.318 0.995 20 5 ECBDRO C[C@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850506209 589368867 /nfs/dbraw/zinc/36/88/67/589368867.db2.gz CMCDFUGLOAGYCE-NHYWBVRUSA-N 1 0 325.365 0.996 20 5 ECBDRO O=C(CC[NH+]1CCC(O)(CO)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000852500857 589499406 /nfs/dbraw/zinc/49/94/06/589499406.db2.gz SGYUFEVVDGHZRK-UHFFFAOYSA-N 1 0 341.339 0.882 20 5 ECBDRO COC(=O)N(C)CC[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000852569150 589501101 /nfs/dbraw/zinc/50/11/01/589501101.db2.gz GEAIQLSBOODZJC-GFCCVEGCSA-N 1 0 341.364 0.965 20 5 ECBDRO [NH3+]C[C@H]1CC(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)=NO1 ZINC000852802063 589512845 /nfs/dbraw/zinc/51/28/45/589512845.db2.gz BVPOTANXPXREIC-CYBMUJFWSA-N 1 0 333.348 0.347 20 5 ECBDRO CN(CC1C[NH+](C)C1)CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000853553563 589547859 /nfs/dbraw/zinc/54/78/59/589547859.db2.gz FRFCZIYLOHCAMM-INIZCTEOSA-N 1 0 334.376 0.983 20 5 ECBDRO Cc1noc(CONC(=[NH2+])[C@@H]2CN(C(C)C)CCO2)c1[N+](=O)[O-] ZINC000853685734 589555089 /nfs/dbraw/zinc/55/50/89/589555089.db2.gz OQWNBXXYBZBXBU-JTQLQIEISA-N 1 0 327.341 0.999 20 5 ECBDRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000854568473 589593460 /nfs/dbraw/zinc/59/34/60/589593460.db2.gz AXBMAYWHVKGJCD-LLVKDONJSA-N 1 0 349.391 0.897 20 5 ECBDRO CN1CC[NH+](CC2CN(c3nc4ccccn4c3[N+](=O)[O-])C2)CC1 ZINC000858610904 589759764 /nfs/dbraw/zinc/75/97/64/589759764.db2.gz IXWSQNQUIVWOHC-UHFFFAOYSA-N 1 0 330.392 0.926 20 5 ECBDRO C[NH2+]CCOCCN(C)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000858627397 589761234 /nfs/dbraw/zinc/76/12/34/589761234.db2.gz STGOZLDHAHNBNX-UHFFFAOYSA-N 1 0 335.357 0.590 20 5 ECBDRO O=C(NC[C@@H]1COCC[NH2+]1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000861522392 589859597 /nfs/dbraw/zinc/85/95/97/589859597.db2.gz VCJRDHNMIBCILD-MRVPVSSYSA-N 1 0 342.739 0.291 20 5 ECBDRO O=C(C[N@H+]1CCC[C@H]1CO)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000118401062 589869928 /nfs/dbraw/zinc/86/99/28/589869928.db2.gz CNJRSBBRZSGZBW-INIZCTEOSA-N 1 0 348.403 0.700 20 5 ECBDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000861729378 589882872 /nfs/dbraw/zinc/88/28/72/589882872.db2.gz WENPFCKBSQRKQD-VIFPVBQESA-N 1 0 342.783 0.713 20 5 ECBDRO Cc1ccc(CNC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000868236264 589883578 /nfs/dbraw/zinc/88/35/78/589883578.db2.gz POCGTNMCMLYLFY-CQSZACIVSA-N 1 0 335.408 0.948 20 5 ECBDRO NC(=O)[C@@H]1CCCN1CCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000863570456 590024233 /nfs/dbraw/zinc/02/42/33/590024233.db2.gz HOCPSVPZAMTCKG-GJZGRUSLSA-N 1 0 336.392 0.558 20 5 ECBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000863830613 590041035 /nfs/dbraw/zinc/04/10/35/590041035.db2.gz VTUBKWXLMVVQCD-AWEZNQCLSA-N 1 0 348.403 0.991 20 5 ECBDRO C[C@]12C[NH2+]C[C@H]1CN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000872154187 590098877 /nfs/dbraw/zinc/09/88/77/590098877.db2.gz QQNBSZIMLAFAQT-SWLSCSKDSA-N 1 0 339.417 0.910 20 5 ECBDRO C[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CCN1c1cc[nH+]cc1 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CS(=O)(=O)c1nc(Cl)c([N+](=O)[O-])c(-n2cc(C[NH3+])cn2)n1 ZINC001168254184 752008717 /nfs/dbraw/zinc/00/87/17/752008717.db2.gz HGVTXABEHDFACC-UHFFFAOYSA-N 1 0 332.729 0.086 20 5 ECBDRO Cc1nn[nH]c1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000984516685 746546281 /nfs/dbraw/zinc/54/62/81/746546281.db2.gz RNXWEUIZSFJWPQ-MGCOHNPYSA-N 1 0 348.367 0.053 20 5 ECBDRO O=C(Cn1cnnn1)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001002302723 747194389 /nfs/dbraw/zinc/19/43/89/747194389.db2.gz GEQBTICBLSFAMO-UHFFFAOYSA-N 1 0 345.363 0.362 20 5 ECBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC1CCN(C(=O)C(N)=O)CC1 ZINC001029989210 750398259 /nfs/dbraw/zinc/39/82/59/750398259.db2.gz QKKCOMLICSEGGC-UHFFFAOYSA-N 1 0 334.376 0.751 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C[C@H]1C[C@H](NC(=O)c2ccon2)C1 ZINC000983246866 754988180 /nfs/dbraw/zinc/98/81/80/754988180.db2.gz UPBGISYUHVDFBM-MGCOHNPYSA-N 1 0 334.336 0.615 20 5 ECBDRO O=C(NCCNCc1nnc(C(F)(F)F)s1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936860 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ECBDRO CCC[N@H+](C)CC(=O)NC1(C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001073012771 789273001 /nfs/dbraw/zinc/27/30/01/789273001.db2.gz CNDNXHLMIHGJJI-CHWSQXEVSA-N 1 0 340.424 0.491 20 5 ECBDRO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1c[nH]c(=O)n1C ZINC001267414618 837372023 /nfs/dbraw/zinc/37/20/23/837372023.db2.gz KSUFIIIRKOQZEL-UHFFFAOYSA-N 1 0 333.348 0.896 20 5 ECBDRO O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000428121653 210245186 /nfs/dbraw/zinc/24/51/86/210245186.db2.gz PYKFSYZOAMHEIZ-GHMZBOCLSA-N 1 0 336.348 0.661 20 5 ECBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](CCOC)CC2)n1 ZINC000427816686 210220823 /nfs/dbraw/zinc/22/08/23/210220823.db2.gz CKCUMPNTCRRBMM-UHFFFAOYSA-N 1 0 325.369 0.606 20 5 ECBDRO C[NH2+][C@H]1CCN(C(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000423114567 209700604 /nfs/dbraw/zinc/70/06/04/209700604.db2.gz ZPVFVAALGRYMRX-ZDUSSCGKSA-N 1 0 346.387 0.906 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCCC[C@@H]1n1cc(CO)nn1 ZINC000355310996 299237044 /nfs/dbraw/zinc/23/70/44/299237044.db2.gz JKMNDYYPLWFOOI-RYUDHWBXSA-N 1 0 335.368 0.686 20 5 ECBDRO NC(=O)c1ccc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000267326865 283378773 /nfs/dbraw/zinc/37/87/73/283378773.db2.gz BALIJAOGHMUQHK-LBPRGKRZSA-N 1 0 334.376 0.852 20 5 ECBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@H]2C[NH2+]CCN2C)c1[N+](=O)[O-] ZINC000420453925 209370115 /nfs/dbraw/zinc/37/01/15/209370115.db2.gz KQEPMLRYLBBZSB-GFCCVEGCSA-N 1 0 342.421 0.394 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)NCC[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000420419396 209363406 /nfs/dbraw/zinc/36/34/06/209363406.db2.gz MIENRNANNRBFNP-MRVPVSSYSA-N 1 0 331.350 0.397 20 5 ECBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000418875483 296023082 /nfs/dbraw/zinc/02/30/82/296023082.db2.gz WVHOZJRJMKUUAV-DOMZBBRYSA-N 1 0 348.403 0.982 20 5 ECBDRO [NH3+]C[C@H](NC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000420063491 209293447 /nfs/dbraw/zinc/29/34/47/209293447.db2.gz NKOHNHSSBIEWPI-AWEZNQCLSA-N 1 0 332.360 0.333 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000193415444 201055993 /nfs/dbraw/zinc/05/59/93/201055993.db2.gz UYUVEFQFHZUWTE-KOLCDFICSA-N 1 0 329.378 0.880 20 5 ECBDRO CS(=O)(=O)c1cc(C(=O)NC2CCC([NH3+])CC2)cc([N+](=O)[O-])c1 ZINC000131926751 223284918 /nfs/dbraw/zinc/28/49/18/223284918.db2.gz BBPAVRRYDGCWMQ-UHFFFAOYSA-N 1 0 341.389 0.998 20 5 ECBDRO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC[NH+](C)C ZINC000292965597 201343085 /nfs/dbraw/zinc/34/30/85/201343085.db2.gz KTOWEBDPROJDCA-UHFFFAOYSA-N 1 0 345.377 0.611 20 5 ECBDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000193658253 240254309 /nfs/dbraw/zinc/25/43/09/240254309.db2.gz DHEPLQIVFFSPSS-MEBBXXQBSA-N 1 0 332.360 0.598 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000419763121 209199812 /nfs/dbraw/zinc/19/98/12/209199812.db2.gz UKDNXLFHCBRWKJ-CYBMUJFWSA-N 1 0 334.376 0.778 20 5 ECBDRO C[NH+](C)CCN1C[C@H](C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000074225598 203282693 /nfs/dbraw/zinc/28/26/93/203282693.db2.gz NJZGMGIPIORZKH-CYBMUJFWSA-N 1 0 334.376 0.621 20 5 ECBDRO Cc1cc(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000106921901 204219992 /nfs/dbraw/zinc/21/99/92/204219992.db2.gz KMABVTJLGPXXLF-GFCCVEGCSA-N 1 0 335.408 0.851 20 5 ECBDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000109093993 204277824 /nfs/dbraw/zinc/27/78/24/204277824.db2.gz ZLFOBBKZTXEIJC-ZDUSSCGKSA-N 1 0 330.348 1.000 20 5 ECBDRO C[NH+](C)CC(=O)N1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000127556179 205106758 /nfs/dbraw/zinc/10/67/58/205106758.db2.gz AZESJFQKSHOZFA-UHFFFAOYSA-N 1 0 349.391 0.239 20 5 ECBDRO CC[C@@H](CO)[NH+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000131647877 205297779 /nfs/dbraw/zinc/29/77/79/205297779.db2.gz WHTGLJNNEHPDPM-LBPRGKRZSA-N 1 0 325.369 0.097 20 5 ECBDRO C[NH2+][C@H]1CCCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000132803435 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1 0 335.408 0.760 20 5 ECBDRO CNS(=O)(=O)[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000155921063 436806922 /nfs/dbraw/zinc/80/69/22/436806922.db2.gz GFGUJQZKKVEELT-AWEZNQCLSA-N 1 0 343.405 0.987 20 5 ECBDRO CC(C)[C@@H](CO)[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000274302410 436814142 /nfs/dbraw/zinc/81/41/42/436814142.db2.gz JXBPMIPQYWWJKD-SNVBAGLBSA-N 1 0 325.321 0.869 20 5 ECBDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000156742372 436821343 /nfs/dbraw/zinc/82/13/43/436821343.db2.gz RZQXQYZNMBIJNV-LBPRGKRZSA-N 1 0 334.376 0.994 20 5 ECBDRO C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)[NH+]1CCC(C)CC1 ZINC000127052515 436796384 /nfs/dbraw/zinc/79/63/84/436796384.db2.gz KQRIBKLBPNQPAR-ZDUSSCGKSA-N 1 0 336.392 0.993 20 5 ECBDRO COCCN(C)CCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000159994240 436865159 /nfs/dbraw/zinc/86/51/59/436865159.db2.gz DUBAEXULLIUEJA-UHFFFAOYSA-N 1 0 335.357 0.590 20 5 ECBDRO C[C@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293958577 436923886 /nfs/dbraw/zinc/92/38/86/436923886.db2.gz ZUTDDBRPJIUNFC-LBPRGKRZSA-N 1 0 335.408 0.992 20 5 ECBDRO COCC1(CNC(=O)CCn2cc([N+](=O)[O-])nc2C)CC[NH2+]CC1 ZINC000261662213 436880387 /nfs/dbraw/zinc/88/03/87/436880387.db2.gz FLHUZBUCSATRPT-UHFFFAOYSA-N 1 0 339.396 0.622 20 5 ECBDRO C[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000293635257 436894760 /nfs/dbraw/zinc/89/47/60/436894760.db2.gz DAGKIKDIINGHEU-JTQLQIEISA-N 1 0 343.405 0.926 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c1 ZINC000162606271 436911423 /nfs/dbraw/zinc/91/14/23/436911423.db2.gz SNURYBWVCPSVGF-JSGCOSHPSA-N 1 0 335.368 0.156 20 5 ECBDRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000165650644 436936334 /nfs/dbraw/zinc/93/63/34/436936334.db2.gz MFNHSLKOEDTGLH-SECBINFHSA-N 1 0 335.769 0.596 20 5 ECBDRO COCCC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000173427819 437049394 /nfs/dbraw/zinc/04/93/94/437049394.db2.gz KPFHLGFEISFILQ-UHFFFAOYSA-N 1 0 337.423 0.903 20 5 ECBDRO NS(=O)(=O)CCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173463427 437052432 /nfs/dbraw/zinc/05/24/32/437052432.db2.gz JJBPUJAKKNPXJS-SNVBAGLBSA-N 1 0 329.382 0.155 20 5 ECBDRO C[N@@H+]1CCC[C@H]1CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000299278005 437065885 /nfs/dbraw/zinc/06/58/85/437065885.db2.gz LILMWDCOFSXCSK-AWEZNQCLSA-N 1 0 334.376 0.925 20 5 ECBDRO C[C@H](O)C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](C)CO ZINC000276209907 437073271 /nfs/dbraw/zinc/07/32/71/437073271.db2.gz OYFUGYLNBVVHKT-OBJOEFQTSA-N 1 0 328.365 0.398 20 5 ECBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000264485518 437036977 /nfs/dbraw/zinc/03/69/77/437036977.db2.gz INRCSGBVIZUGHT-AWEZNQCLSA-N 1 0 334.376 0.593 20 5 ECBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000264501306 437037545 /nfs/dbraw/zinc/03/75/45/437037545.db2.gz KHXNDPIUZVAEAH-JTQLQIEISA-N 1 0 326.378 0.726 20 5 ECBDRO CC1CC[NH+](CCCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000299497783 437082798 /nfs/dbraw/zinc/08/27/98/437082798.db2.gz JXSBMHIDEKINAQ-UHFFFAOYSA-N 1 0 336.392 0.995 20 5 ECBDRO CNS(=O)(=O)c1ccc(N2CC[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000301244638 437117826 /nfs/dbraw/zinc/11/78/26/437117826.db2.gz HDYJWVMUWCJBJI-NSHDSACASA-N 1 0 342.421 0.891 20 5 ECBDRO COc1cc(C(=O)N2CCCO[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000313345476 437172527 /nfs/dbraw/zinc/17/25/27/437172527.db2.gz QKFFYZVIWMWXJR-JTQLQIEISA-N 1 0 339.348 0.802 20 5 ECBDRO COCC[N@H+](C)CCCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000277153343 437197419 /nfs/dbraw/zinc/19/74/19/437197419.db2.gz RPNPJZJOOQAYSO-UHFFFAOYSA-N 1 0 346.409 0.622 20 5 ECBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000331865771 437170813 /nfs/dbraw/zinc/17/08/13/437170813.db2.gz ZKNFOLZTSUADLY-NWDGAFQWSA-N 1 0 327.362 0.265 20 5 ECBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000179504511 437266992 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0.099 20 5 ECBDRO CC(C)(C)[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C(N)=O ZINC000182156140 437339884 /nfs/dbraw/zinc/33/98/84/437339884.db2.gz INAOHBAFDZRONT-GXFFZTMASA-N 1 0 325.365 0.824 20 5 ECBDRO CN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H](C[NH3+])C1CC1 ZINC000359914208 437486901 /nfs/dbraw/zinc/48/69/01/437486901.db2.gz TZKJCVITHSPYRF-LBPRGKRZSA-N 1 0 336.348 0.931 20 5 ECBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000186950380 437487621 /nfs/dbraw/zinc/48/76/21/437487621.db2.gz FGOZECXOCMCGEM-NSHDSACASA-N 1 0 325.369 0.095 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000269158240 437461353 /nfs/dbraw/zinc/46/13/53/437461353.db2.gz IXPPSGSKEZNDNT-UHFFFAOYSA-N 1 0 331.336 0.235 20 5 ECBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCC[C@@H]1CC[NH2+]C1 ZINC000269167092 437462495 /nfs/dbraw/zinc/46/24/95/437462495.db2.gz FTZWPJWTQQGHBP-LBPRGKRZSA-N 1 0 334.376 0.831 20 5 ECBDRO CN(C)CC[N@H+](C)CCCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000290600155 437505227 /nfs/dbraw/zinc/50/52/27/437505227.db2.gz JJGOCLKBNPBXSG-UHFFFAOYSA-N 1 0 338.408 0.973 20 5 ECBDRO COc1cc(CCNC(=O)[C@H]2C[C@H](F)C[NH2+]2)c([N+](=O)[O-])cc1OC ZINC000188274254 437538943 /nfs/dbraw/zinc/53/89/43/437538943.db2.gz UQEWQCSHTDCOGN-WDEREUQCSA-N 1 0 341.339 0.971 20 5 ECBDRO C[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@@H+]1CC(C)(C)O ZINC000188633056 437559169 /nfs/dbraw/zinc/55/91/69/437559169.db2.gz LGDPJNIDYPKRDS-LLVKDONJSA-N 1 0 325.369 0.095 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]C[C@H]2CCCOC2)cc1 ZINC000343817856 437666124 /nfs/dbraw/zinc/66/61/24/437666124.db2.gz YMWSSCNCRWANML-GFCCVEGCSA-N 1 0 343.405 0.889 20 5 ECBDRO C[C@@H]1OCC[C@@H]1[N@H+](CCO)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000361556056 437671822 /nfs/dbraw/zinc/67/18/22/437671822.db2.gz DZQGGQZHPPVMSG-MJBXVCDLSA-N 1 0 340.376 0.806 20 5 ECBDRO COCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000340947850 437762733 /nfs/dbraw/zinc/76/27/33/437762733.db2.gz 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CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000415857420 437872085 /nfs/dbraw/zinc/87/20/85/437872085.db2.gz CECPCTLFOPFEAG-LBPRGKRZSA-N 1 0 336.348 0.200 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000415862889 437874284 /nfs/dbraw/zinc/87/42/84/437874284.db2.gz SYDCLYZAOJXEJT-UHFFFAOYSA-N 1 0 336.348 0.800 20 5 ECBDRO COc1ccc(NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000415635473 437836544 /nfs/dbraw/zinc/83/65/44/437836544.db2.gz UQXJCEGCDYJJSE-TXEJJXNPSA-N 1 0 348.359 0.895 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415752483 437855058 /nfs/dbraw/zinc/85/50/58/437855058.db2.gz XLVFGDUWRVWBLK-RYUDHWBXSA-N 1 0 332.360 0.910 20 5 ECBDRO O=[N+]([O-])c1cnc2ccc(NC[C@H]3CCC[C@@H]3[NH+]3CCOCC3)nn21 ZINC000371336595 437919930 /nfs/dbraw/zinc/91/99/30/437919930.db2.gz RWVSPYUXBGGKMT-OLZOCXBDSA-N 1 0 346.391 1.550 20 5 ECBDRO COc1cc(N2CCCN(CC(N)=O)CC2)c([N+](=O)[O-])cc1F ZINC000365261979 437882928 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325.369 0.457 20 5 ECBDRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000423307176 438658726 /nfs/dbraw/zinc/65/87/26/438658726.db2.gz MSHBGDSDFFSNJI-LLVKDONJSA-N 1 0 332.360 0.287 20 5 ECBDRO CNc1nc(C(=O)NCCCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000454352496 438715296 /nfs/dbraw/zinc/71/52/96/438715296.db2.gz VYDXHFTXZMZSGC-UHFFFAOYSA-N 1 0 336.396 0.399 20 5 ECBDRO CNc1nc(C(=O)NCCCC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000454764389 438727692 /nfs/dbraw/zinc/72/76/92/438727692.db2.gz OSBIOVNOCSFIOL-UHFFFAOYSA-N 1 0 337.380 0.874 20 5 ECBDRO CC(C)C[C@@H]([NH3+])CNCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000415084083 438729212 /nfs/dbraw/zinc/72/92/12/438729212.db2.gz QXCLWVRZUFQGCR-GFCCVEGCSA-N 1 0 344.437 0.836 20 5 ECBDRO CNc1nc(C(=O)NCCC[NH+]2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000455760272 438752585 /nfs/dbraw/zinc/75/25/85/438752585.db2.gz XVLBYIFVOOZMMA-UHFFFAOYSA-N 1 0 337.380 0.608 20 5 ECBDRO C[C@H]1CC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000577290717 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ECBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@]1(CCO)CCOC1 ZINC000580075030 439060945 /nfs/dbraw/zinc/06/09/45/439060945.db2.gz SCQANSYJEVOQEY-BBRMVZONSA-N 1 0 340.376 0.713 20 5 ECBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000518887374 439014985 /nfs/dbraw/zinc/01/49/85/439014985.db2.gz PFCYDMFIFGROPM-GJZGRUSLSA-N 1 0 336.392 0.839 20 5 ECBDRO C[NH+](C)CC1(C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000602157337 439025742 /nfs/dbraw/zinc/02/57/42/439025742.db2.gz GWPCAGMUWHDUIE-UHFFFAOYSA-N 1 0 333.392 0.980 20 5 ECBDRO NC(=O)c1ccnc(N2CCC[C@H]([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000519182015 439026329 /nfs/dbraw/zinc/02/63/29/439026329.db2.gz ZIPHMGVKNZCJFF-LBPRGKRZSA-N 1 0 349.391 0.780 20 5 ECBDRO CN1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000566301315 439038740 /nfs/dbraw/zinc/03/87/40/439038740.db2.gz WRVCGIPBLYHRAL-VIFPVBQESA-N 1 0 348.812 0.512 20 5 ECBDRO O=C(CCC1C[NH2+]C1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000602454606 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ECBDRO O=C(Cn1cc([N+](=O)[O-])cc(F)c1=O)NC1CC[NH+](C2CC2)CC1 ZINC000521435173 439120596 /nfs/dbraw/zinc/12/05/96/439120596.db2.gz RKMAINHRVSWORA-UHFFFAOYSA-N 1 0 338.339 0.639 20 5 ECBDRO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000580775198 439129443 /nfs/dbraw/zinc/12/94/43/439129443.db2.gz QZDDJXDQUXAYHF-CQSZACIVSA-N 1 0 342.355 0.841 20 5 ECBDRO O=C1CNC(=O)N1CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000580932360 439148853 /nfs/dbraw/zinc/14/88/53/439148853.db2.gz LWTHYLJITOMGGB-QWRGUYRKSA-N 1 0 336.352 0.416 20 5 ECBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000592389809 439220753 /nfs/dbraw/zinc/22/07/53/439220753.db2.gz RXAHBOQHSLODEX-RYUDHWBXSA-N 1 0 331.369 0.757 20 5 ECBDRO COC(=O)[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000581186599 439179334 /nfs/dbraw/zinc/17/93/34/439179334.db2.gz QUHHCGDKBGTNIK-PHIMTYICSA-N 1 0 342.373 0.910 20 5 ECBDRO O=[N+]([O-])c1cc2c(cc1CN1CCN([C@H]3CC[NH2+]C3)CC1)OCCO2 ZINC000592434884 439227123 /nfs/dbraw/zinc/22/71/23/439227123.db2.gz PYRZZEUNKOXUEC-AWEZNQCLSA-N 1 0 348.403 0.846 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)ccc1[N+](=O)[O-] ZINC000592247920 439189045 /nfs/dbraw/zinc/18/90/45/439189045.db2.gz QGRACHDTKPRZDA-JSGCOSHPSA-N 1 0 346.387 0.843 20 5 ECBDRO COc1cc(OCC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000592310831 439200297 /nfs/dbraw/zinc/20/02/97/439200297.db2.gz YXEFRUNOMFDUQD-HZMBPMFUSA-N 1 0 339.348 0.557 20 5 ECBDRO O=[N+]([O-])c1ccc(OCCn2cc(CCN3CC[NH2+]CC3)nn2)cc1 ZINC000603202720 439209282 /nfs/dbraw/zinc/20/92/82/439209282.db2.gz XEUXPEXBGNXFJQ-UHFFFAOYSA-N 1 0 346.391 0.713 20 5 ECBDRO CCn1cc(S(=O)(=O)N(C2CC2)C2CC[NH2+]CC2)c([N+](=O)[O-])n1 ZINC000592364746 439212918 /nfs/dbraw/zinc/21/29/18/439212918.db2.gz AAYMVUWDPKZAJN-UHFFFAOYSA-N 1 0 343.409 0.716 20 5 ECBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000598538872 439276142 /nfs/dbraw/zinc/27/61/42/439276142.db2.gz DNMGEXMWCONIJI-NSHDSACASA-N 1 0 325.369 0.511 20 5 ECBDRO C[C@@H]1[C@H](C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC[N@@H+]1C ZINC000592804921 439282527 /nfs/dbraw/zinc/28/25/27/439282527.db2.gz TULVONOCTUDSDA-CHWSQXEVSA-N 1 0 333.392 0.979 20 5 ECBDRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000598183758 439236007 /nfs/dbraw/zinc/23/60/07/439236007.db2.gz ARNBHIOBBMJDPH-UHFFFAOYSA-N 1 0 336.392 0.616 20 5 ECBDRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000592553618 439252294 /nfs/dbraw/zinc/25/22/94/439252294.db2.gz QTFCFEZWSLPPOR-LBPRGKRZSA-N 1 0 325.296 0.711 20 5 ECBDRO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)nc1 ZINC000603423953 439259524 /nfs/dbraw/zinc/25/95/24/439259524.db2.gz RXJQUKGRHBFOBF-ZDUSSCGKSA-N 1 0 336.396 0.593 20 5 ECBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000598451843 439263725 /nfs/dbraw/zinc/26/37/25/439263725.db2.gz DCESSLLXXHTIST-AWEZNQCLSA-N 1 0 334.376 0.969 20 5 ECBDRO NC(=O)NC(=O)CCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000604482984 439317159 /nfs/dbraw/zinc/31/71/59/439317159.db2.gz HYLICFWBVICCLT-UHFFFAOYSA-N 1 0 336.352 0.087 20 5 ECBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[N@H+](CCO)C[C@H]2C)c1 ZINC000593032215 439332280 /nfs/dbraw/zinc/33/22/80/439332280.db2.gz MIFFQDIEQLGEDM-GFCCVEGCSA-N 1 0 337.376 0.880 20 5 ECBDRO CNS(=O)(=O)CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000598597156 439285633 /nfs/dbraw/zinc/28/56/33/439285633.db2.gz WYIDSYFWIVWZJG-SNVBAGLBSA-N 1 0 329.382 0.025 20 5 ECBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCN1CC[C@@H](O)C1 ZINC000599085231 439353480 /nfs/dbraw/zinc/35/34/80/439353480.db2.gz NEVZCRZJQPBSPU-SWLSCSKDSA-N 1 0 336.392 0.968 20 5 ECBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])C[C@H]21 ZINC000599084722 439353551 /nfs/dbraw/zinc/35/35/51/439353551.db2.gz WBZWPHMCWXEOCC-YABSGUDNSA-N 1 0 325.390 0.995 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000599098893 439354810 /nfs/dbraw/zinc/35/48/10/439354810.db2.gz AFUYFXUPOZZJHE-AEJSXWLSSA-N 1 0 329.382 0.076 20 5 ECBDRO Cc1cc(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc([N+](=O)[O-])c1 ZINC000593234120 439355890 /nfs/dbraw/zinc/35/58/90/439355890.db2.gz FGVDAMDMQUMPOR-UHFFFAOYSA-N 1 0 334.376 0.749 20 5 ECBDRO Cc1cc(S(=O)(=O)NC2(C[NH3+])CCOCC2)c(C)cc1[N+](=O)[O-] ZINC000599104986 439358044 /nfs/dbraw/zinc/35/80/44/439358044.db2.gz WFCKNCUWFJHFFX-UHFFFAOYSA-N 1 0 343.405 0.998 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000582677993 439366972 /nfs/dbraw/zinc/36/69/72/439366972.db2.gz ZDHCQCSQIRODEF-CHWSQXEVSA-N 1 0 347.375 0.086 20 5 ECBDRO COCC[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC000593340537 439369156 /nfs/dbraw/zinc/36/91/56/439369156.db2.gz WIQIHZUMJOTWLP-UHFFFAOYSA-N 1 0 325.369 0.361 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H](CO)[C@@H]2CCCOC2)c1 ZINC000570279867 439407584 /nfs/dbraw/zinc/40/75/84/439407584.db2.gz 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ECBDRO C[C@@H](NC(=O)NCC(=O)N1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000583613873 439487298 /nfs/dbraw/zinc/48/72/98/439487298.db2.gz WSKNMLOSUUOYNZ-LLVKDONJSA-N 1 0 335.364 0.387 20 5 ECBDRO C[NH+](C)CC[C@@H](N)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000593926493 439496683 /nfs/dbraw/zinc/49/66/83/439496683.db2.gz WYTRMNXQDMTCQZ-GFCCVEGCSA-N 1 0 332.364 1.202 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2CC[C@@H]([NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000593930407 439497603 /nfs/dbraw/zinc/49/76/03/439497603.db2.gz HNSBYYCCFUIFRR-DGCLKSJQSA-N 1 0 334.376 0.971 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2CC[C@H]([NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000593930406 439498116 /nfs/dbraw/zinc/49/81/16/439498116.db2.gz HNSBYYCCFUIFRR-AAEUAGOBSA-N 1 0 334.376 0.971 20 5 ECBDRO COc1ccc(OCC[NH+]2C[C@@H](CO)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000599531010 439499237 /nfs/dbraw/zinc/49/92/37/439499237.db2.gz DKHXUNAQUJZOLA-RYUDHWBXSA-N 1 0 326.349 0.515 20 5 ECBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 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ECBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000573754612 439664631 /nfs/dbraw/zinc/66/46/31/439664631.db2.gz IGHAWFMDQHUPPK-IUODEOHRSA-N 1 0 337.376 0.907 20 5 ECBDRO CN(C)[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000573084094 439626729 /nfs/dbraw/zinc/62/67/29/439626729.db2.gz LJCURBLMIRJENI-RDJZCZTQSA-N 1 0 347.419 0.915 20 5 ECBDRO CN1C(=O)c2ccccc2[C@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000600753410 439699499 /nfs/dbraw/zinc/69/94/99/439699499.db2.gz AWMFOGMWJNXVTP-IUODEOHRSA-N 1 0 345.359 0.569 20 5 ECBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2C[NH2+]CCO2)cc1OC ZINC000574392647 439700932 /nfs/dbraw/zinc/70/09/32/439700932.db2.gz DPYUOXNSLSFCEM-SNVBAGLBSA-N 1 0 339.348 0.720 20 5 ECBDRO O=C(Cc1cccc([N+](=O)[O-])c1)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000574398145 439703165 /nfs/dbraw/zinc/70/31/65/439703165.db2.gz PUAXTCXDCULOOW-UHFFFAOYSA-N 1 0 331.336 0.304 20 5 ECBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cc([N+](=O)[O-])ccc1OC(F)F 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CCn1cc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCCC2)c([N+](=O)[O-])n1 ZINC000353214188 321385423 /nfs/dbraw/zinc/38/54/23/321385423.db2.gz FIBQRMJMMDRQJI-NSHDSACASA-N 1 0 345.425 0.997 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H](O)COc2ccccc2)c1 ZINC000562449922 322274961 /nfs/dbraw/zinc/27/49/61/322274961.db2.gz WYTUUPOORMZFAA-KBPBESRZSA-N 1 0 336.348 0.182 20 5 ECBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000563116592 322298982 /nfs/dbraw/zinc/29/89/82/322298982.db2.gz JYDITBWZWDZPTP-OLZOCXBDSA-N 1 0 336.348 0.664 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000563125858 322299309 /nfs/dbraw/zinc/29/93/09/322299309.db2.gz PCNGPRJNXHPFHQ-IUCAKERBSA-N 1 0 345.377 0.786 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000563125859 322299368 /nfs/dbraw/zinc/29/93/68/322299368.db2.gz PCNGPRJNXHPFHQ-RKDXNWHRSA-N 1 0 345.377 0.786 20 5 ECBDRO O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563619682 322333373 /nfs/dbraw/zinc/33/33/73/322333373.db2.gz ROKMUBZRLWWQCW-KRWDZBQOSA-N 1 0 346.387 0.813 20 5 ECBDRO COc1ccc(CNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000566236406 322516775 /nfs/dbraw/zinc/51/67/75/322516775.db2.gz DHINOJQMCRIXIL-NXEZZACHSA-N 1 0 338.364 0.462 20 5 ECBDRO CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000568857835 322635106 /nfs/dbraw/zinc/63/51/06/322635106.db2.gz RPLTUIRXLNYWTH-BZPMIXESSA-N 1 0 339.396 0.389 20 5 ECBDRO COc1cc(C(=O)NC[C@@H]2C[NH2+]CCN2C)cc([N+](=O)[O-])c1OC ZINC000570079763 322675190 /nfs/dbraw/zinc/67/51/90/322675190.db2.gz UAMLQWPGNNUVNS-NSHDSACASA-N 1 0 338.364 0.245 20 5 ECBDRO C[C@@H](CN1CCCC1=O)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000574552263 322781178 /nfs/dbraw/zinc/78/11/78/322781178.db2.gz YSZBRMZAIYQCGG-STQMWFEESA-N 1 0 337.376 0.935 20 5 ECBDRO [NH3+][C@H]1C[C@H]2CN(C(=O)CCc3cccc([N+](=O)[O-])c3)CCN2C1=O 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CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000855695929 589642222 /nfs/dbraw/zinc/64/22/22/589642222.db2.gz XNNINUWBEFABMQ-UHFFFAOYSA-N 1 0 340.355 0.826 20 5 ECBDRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000867811244 589847294 /nfs/dbraw/zinc/84/72/94/589847294.db2.gz OFPOVTLKDPLLJJ-CMPLNLGQSA-N 1 0 326.378 0.705 20 5 ECBDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000861539798 589861159 /nfs/dbraw/zinc/86/11/59/589861159.db2.gz HXTNTJAESRXQLD-ZETCQYMHSA-N 1 0 346.290 0.940 20 5 ECBDRO CC(=O)N1CCN(CC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000876931752 590427720 /nfs/dbraw/zinc/42/77/20/590427720.db2.gz UVEVCRKYSRWNPS-UHFFFAOYSA-N 1 0 336.396 0.249 20 5 ECBDRO COc1ccc(C[NH2+]C[C@]2(CO)COCCN2C)cc1[N+](=O)[O-] ZINC000922536244 611353845 /nfs/dbraw/zinc/35/38/45/611353845.db2.gz SMZOPDCOJPGSQI-HNNXBMFYSA-N 1 0 325.365 0.386 20 5 ECBDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)Nc3ccncc3[N+](=O)[O-])CC2)C1 ZINC000930618143 611448026 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ZINC001267370604 837269187 /nfs/dbraw/zinc/26/91/87/837269187.db2.gz BFCOQFCQVZOUKG-UHFFFAOYSA-N 1 0 333.352 0.289 20 5 ECBDRO CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCCC[NH3+] ZINC000428490816 210262286 /nfs/dbraw/zinc/26/22/86/210262286.db2.gz PIBVGDIEDOEGLW-SECBINFHSA-N 1 0 344.393 0.504 20 5 ECBDRO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000116900710 282141031 /nfs/dbraw/zinc/14/10/31/282141031.db2.gz QBUNEMGMJBHIOK-JTQLQIEISA-N 1 0 347.368 0.685 20 5 ECBDRO Cc1nn(C)c(C(=O)NCCC[NH2+]Cc2cccnc2)c1[N+](=O)[O-] ZINC000428125528 210245948 /nfs/dbraw/zinc/24/59/48/210245948.db2.gz MHYVKLNYFGZDEG-UHFFFAOYSA-N 1 0 332.364 0.941 20 5 ECBDRO O=C(NC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1)[C@@H]1CCC[NH2+]1 ZINC000262145818 295683376 /nfs/dbraw/zinc/68/33/76/295683376.db2.gz FKOINGVUNLGIPB-NEPJUHHUSA-N 1 0 349.391 0.643 20 5 ECBDRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCCNc1ccccc1[N+](=O)[O-] ZINC000354664942 299089623 /nfs/dbraw/zinc/08/96/23/299089623.db2.gz 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Cc1nc(N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)ncc1[N+](=O)[O-] ZINC000420148691 209321626 /nfs/dbraw/zinc/32/16/26/209321626.db2.gz AKYHHPPTSUZWQD-GFCCVEGCSA-N 1 0 334.380 0.341 20 5 ECBDRO [NH3+]C[C@H](NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000420070655 209297119 /nfs/dbraw/zinc/29/71/19/209297119.db2.gz WVKXZAQAQQZPQP-HNNXBMFYSA-N 1 0 346.387 0.939 20 5 ECBDRO COc1ccc(S(=O)(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000248624146 201180084 /nfs/dbraw/zinc/18/00/84/201180084.db2.gz NRWALPIUJINBEC-DLOVCJGASA-N 1 0 341.389 0.961 20 5 ECBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419953791 209258054 /nfs/dbraw/zinc/25/80/54/209258054.db2.gz PVMBDCJBMOAZJD-CQSZACIVSA-N 1 0 348.403 0.854 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N2CCC(C[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000419756183 209197180 /nfs/dbraw/zinc/19/71/80/209197180.db2.gz GEPVFVOZGODSLA-UHFFFAOYSA-N 1 0 334.376 0.717 20 5 ECBDRO Nc1ccc(C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1[N+](=O)[O-] ZINC000262751052 245160179 /nfs/dbraw/zinc/16/01/79/245160179.db2.gz GNSPGZMXLYATKX-GFCCVEGCSA-N 1 0 349.391 0.637 20 5 ECBDRO Cn1cnnc1Sc1ccc(C(=O)N[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000126166246 205043997 /nfs/dbraw/zinc/04/39/97/205043997.db2.gz XSJQHKPLHBYJAJ-JTQLQIEISA-N 1 0 348.388 0.966 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246658083 205220739 /nfs/dbraw/zinc/22/07/39/205220739.db2.gz HAFFFDFAGHVPOJ-NEPJUHHUSA-N 1 0 339.396 0.403 20 5 ECBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000161643390 206361586 /nfs/dbraw/zinc/36/15/86/206361586.db2.gz VVIXJODOWUFMMT-OCCSQVGLSA-N 1 0 336.396 0.917 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)Cn2c3ccccc3nc2NCCO)c1 ZINC000266517066 248341427 /nfs/dbraw/zinc/34/14/27/248341427.db2.gz ZCDXISSRMVGOPH-GFCCVEGCSA-N 1 0 346.347 0.606 20 5 ECBDRO COC(=O)[C@@H]1CC12CC[NH+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000266563086 248361400 /nfs/dbraw/zinc/36/14/00/248361400.db2.gz YKUNVXIOAJKHDE-OLZOCXBDSA-N 1 0 338.364 0.427 20 5 ECBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450203796 211312222 /nfs/dbraw/zinc/31/22/22/211312222.db2.gz HYCDBMHGXFBJIK-INIZCTEOSA-N 1 0 347.375 0.823 20 5 ECBDRO CN(C(=O)CN1c2cc([N+](=O)[O-])ccc2OCC1=O)C1(C[NH3+])CCC1 ZINC000449677514 211290596 /nfs/dbraw/zinc/29/05/96/211290596.db2.gz MWRIHULSFCYAMS-UHFFFAOYSA-N 1 0 348.359 0.660 20 5 ECBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000449197531 211277388 /nfs/dbraw/zinc/27/73/88/211277388.db2.gz ZQRQVZAUAGERMB-GFCCVEGCSA-N 1 0 330.348 0.868 20 5 ECBDRO CC[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC[N@@H+]1C[C@@H](C)O ZINC000174616549 207036549 /nfs/dbraw/zinc/03/65/49/207036549.db2.gz UZCAAWCSOZELPC-DGCLKSJQSA-N 1 0 339.396 0.403 20 5 ECBDRO CC[NH+](CC)CC[C@H](CO)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000439131785 210767959 /nfs/dbraw/zinc/76/79/59/210767959.db2.gz IQAQPFXOBQBVJA-SNVBAGLBSA-N 1 0 325.369 0.593 20 5 ECBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000429445917 210318538 /nfs/dbraw/zinc/31/85/38/210318538.db2.gz GBLIKVHRINBOEZ-VXGBXAGGSA-N 1 0 338.412 0.943 20 5 ECBDRO C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+](C2CCC2)C1 ZINC000429351660 210313008 /nfs/dbraw/zinc/31/30/08/210313008.db2.gz FWKZQKCPFNBWJV-CJNGLKHVSA-N 1 0 337.424 0.958 20 5 ECBDRO CC(C)[C@@H]([NH3+])CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000429180327 210303245 /nfs/dbraw/zinc/30/32/45/210303245.db2.gz XOAUCSJCCBZGIG-ZDUSSCGKSA-N 1 0 337.380 0.494 20 5 ECBDRO COc1cc(CCNC(=O)N2CC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000416919223 208696637 /nfs/dbraw/zinc/69/66/37/208696637.db2.gz MDRSUZCWUGJGRL-NSHDSACASA-N 1 0 338.364 0.897 20 5 ECBDRO CC(C)[C@H]([NH3+])CNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000418415492 208806798 /nfs/dbraw/zinc/80/67/98/208806798.db2.gz URRFTBGGSKGGMX-GFCCVEGCSA-N 1 0 336.396 0.805 20 5 ECBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)NCCc3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000418922968 208909776 /nfs/dbraw/zinc/90/97/76/208909776.db2.gz LOXGYFWLAJFZPT-AEGPPILISA-N 1 0 346.387 0.449 20 5 ECBDRO CN(C)C(=O)OC1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000495794705 255043805 /nfs/dbraw/zinc/04/38/05/255043805.db2.gz UTCGSCCVQQPIIU-LBPRGKRZSA-N 1 0 341.368 0.315 20 5 ECBDRO Cc1ccc([C@H](C)NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000419268045 209046161 /nfs/dbraw/zinc/04/61/61/209046161.db2.gz JZCUYADCLFTDOL-WCQYABFASA-N 1 0 334.376 0.949 20 5 ECBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000419276524 209048214 /nfs/dbraw/zinc/04/82/14/209048214.db2.gz SZIAVKYBELHHFD-AAEUAGOBSA-N 1 0 334.376 0.949 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[NH2+][C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000262762260 286348829 /nfs/dbraw/zinc/34/88/29/286348829.db2.gz JUNDIXXJLXYUEG-NXEZZACHSA-N 1 0 329.378 0.974 20 5 ECBDRO COc1cc(S(=O)(=O)N2CC[C@@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000154363659 164763713 /nfs/dbraw/zinc/76/37/13/164763713.db2.gz HIJUCKPDUNGREL-CQSZACIVSA-N 1 0 341.389 0.978 20 5 ECBDRO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1(CO)CCOCC1 ZINC000191022960 165028495 /nfs/dbraw/zinc/02/84/95/165028495.db2.gz LSTFFCDKIIIIPC-UHFFFAOYSA-N 1 0 349.387 0.957 20 5 ECBDRO C[NH+]1CCN(c2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cn2)CC1 ZINC000193157603 165053101 /nfs/dbraw/zinc/05/31/01/165053101.db2.gz WUVPPQGTPNNARA-UHFFFAOYSA-N 1 0 345.363 0.577 20 5 ECBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000246008414 165121309 /nfs/dbraw/zinc/12/13/09/165121309.db2.gz SRFOBRFXVKUCTM-GXTWGEPZSA-N 1 0 336.396 0.917 20 5 ECBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261765713 165240408 /nfs/dbraw/zinc/24/04/08/165240408.db2.gz WFFUGEXWUZAIDO-LBPRGKRZSA-N 1 0 334.376 0.830 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000261860234 165254115 /nfs/dbraw/zinc/25/41/15/165254115.db2.gz KJCVFRGBPRUARE-GHMZBOCLSA-N 1 0 341.389 0.833 20 5 ECBDRO C[NH2+]CCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000262299850 165325588 /nfs/dbraw/zinc/32/55/88/165325588.db2.gz ZVZNFZFSLVGTCN-UHFFFAOYSA-N 1 0 326.378 0.550 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000262382475 165342459 /nfs/dbraw/zinc/34/24/59/165342459.db2.gz YXZQWSJIGAJLSV-NXEZZACHSA-N 1 0 329.378 0.961 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000262573255 165364395 /nfs/dbraw/zinc/36/43/95/165364395.db2.gz XRBGIMDPQZRKSY-CYBMUJFWSA-N 1 0 329.378 0.963 20 5 ECBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000262744048 165381010 /nfs/dbraw/zinc/38/10/10/165381010.db2.gz JIQZEOSFJXBKDG-WDEREUQCSA-N 1 0 330.348 0.998 20 5 ECBDRO C[NH+](C)C1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000301213093 296883716 /nfs/dbraw/zinc/88/37/16/296883716.db2.gz WCLUGYNVOUBTLF-UHFFFAOYSA-N 1 0 328.394 0.773 20 5 ECBDRO O=[N+]([O-])c1cnc2ccc(N3CC[NH+](C[C@@H]4CCOC4)CC3)nn21 ZINC000301977213 296893840 /nfs/dbraw/zinc/89/38/40/296893840.db2.gz WLNORWLQVCXNCJ-LBPRGKRZSA-N 1 0 332.364 0.796 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])n1 ZINC000331238849 296911189 /nfs/dbraw/zinc/91/11/89/296911189.db2.gz VXAILERVANNZOP-JTQLQIEISA-N 1 0 331.398 0.526 20 5 ECBDRO C[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000187708942 263160578 /nfs/dbraw/zinc/16/05/78/263160578.db2.gz ZNOXBLPDEDWRLO-CYBMUJFWSA-N 1 0 336.392 0.922 20 5 ECBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000269435656 263183119 /nfs/dbraw/zinc/18/31/19/263183119.db2.gz OKOLCIKZVKVXNM-SNVBAGLBSA-N 1 0 325.369 0.892 20 5 ECBDRO COc1cc(N2CCN(C(=O)C[NH+](C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000270586278 263254557 /nfs/dbraw/zinc/25/45/57/263254557.db2.gz UFQQMGBZTYSMEB-UHFFFAOYSA-N 1 0 340.355 0.953 20 5 ECBDRO NC(=O)c1ccc(SCC(=O)NC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000273061001 263391141 /nfs/dbraw/zinc/39/11/41/263391141.db2.gz STUKJEYNERPHEF-SECBINFHSA-N 1 0 338.389 0.512 20 5 ECBDRO Cn1cc([C@H](CO)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000275205500 263566324 /nfs/dbraw/zinc/56/63/24/263566324.db2.gz RDNJSOHOFIUJPH-HIFRSBDPSA-N 1 0 336.348 0.391 20 5 ECBDRO Cn1c(=O)cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n(C)c1=O ZINC000282433595 264043922 /nfs/dbraw/zinc/04/39/22/264043922.db2.gz KJINRPREMVLGLO-UHFFFAOYSA-N 1 0 332.360 0.667 20 5 ECBDRO C[C@@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C[C@@H](C)[NH2+]1 ZINC000153189936 274330786 /nfs/dbraw/zinc/33/07/86/274330786.db2.gz QYTWSVNDCGYFBT-GHMZBOCLSA-N 1 0 330.348 0.998 20 5 ECBDRO C[NH2+]CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000151287650 277025063 /nfs/dbraw/zinc/02/50/63/277025063.db2.gz JPYAZHJMEFUTJK-CQSZACIVSA-N 1 0 334.376 0.843 20 5 ECBDRO C[NH2+]CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000237078659 277272454 /nfs/dbraw/zinc/27/24/54/277272454.db2.gz PBLDVFXYFYEEDA-SECBINFHSA-N 1 0 326.378 0.597 20 5 ECBDRO C[C@H](CC[NH3+])NC(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000419343152 278171076 /nfs/dbraw/zinc/17/10/76/278171076.db2.gz BWYXXEGWVKUQGE-GFCCVEGCSA-N 1 0 336.392 0.887 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N[C@@H](CC[NH3+])C(F)F)ccc1[N+](=O)[O-] ZINC000423715705 278645891 /nfs/dbraw/zinc/64/58/91/278645891.db2.gz ZJGWAHXHSJJDCO-JTQLQIEISA-N 1 0 344.318 0.732 20 5 ECBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)c1C ZINC000331848952 296974063 /nfs/dbraw/zinc/97/40/63/296974063.db2.gz VSYIGJSUZCCREW-QWHCGFSZSA-N 1 0 341.389 0.573 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])n1 ZINC000332687654 297065038 /nfs/dbraw/zinc/06/50/38/297065038.db2.gz USJUEMFGOFAZBJ-SNVBAGLBSA-N 1 0 331.398 0.383 20 5 ECBDRO [NH3+][C@H]1CCCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000262753727 295335092 /nfs/dbraw/zinc/33/50/92/295335092.db2.gz ONCWYQFJCNHBFV-VIFPVBQESA-N 1 0 343.361 0.478 20 5 ECBDRO C[NH+](C)CCOc1cc(NC(=O)Cn2cnc([N+](=O)[O-])n2)ccn1 ZINC000345374873 298150969 /nfs/dbraw/zinc/15/09/69/298150969.db2.gz PWXXMNPZSSHFDV-UHFFFAOYSA-N 1 0 335.324 0.160 20 5 ECBDRO C[N@@H+]1CC[C@@H](CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000346278664 298248531 /nfs/dbraw/zinc/24/85/31/298248531.db2.gz CYEAICGIITYGKZ-NSHDSACASA-N 1 0 348.359 0.388 20 5 ECBDRO C[C@@H]1OCC[C@H]1[N@H+](CCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000361588428 300108796 /nfs/dbraw/zinc/10/87/96/300108796.db2.gz RSBFUKOIYUVQJX-JGGQBBKZSA-N 1 0 340.376 0.806 20 5 ECBDRO Cn1cc(C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c(=O)n(C)c1=O ZINC000364338261 300346822 /nfs/dbraw/zinc/34/68/22/300346822.db2.gz PGVUSJUPPJMPBK-GFCCVEGCSA-N 1 0 348.363 0.026 20 5 ECBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCO[C@H]3C[NH2+]C[C@H]32)c1C ZINC000366990960 300586147 /nfs/dbraw/zinc/58/61/47/300586147.db2.gz VSYIGJSUZCCREW-OLZOCXBDSA-N 1 0 341.389 0.573 20 5 ECBDRO O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000368247469 300657204 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0.773 20 5 ECBDRO Cn1nccc1[C@H](CO)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000514939010 301624190 /nfs/dbraw/zinc/62/41/90/301624190.db2.gz JQLGOWOEJJWSTR-NEPJUHHUSA-N 1 0 336.348 0.391 20 5 ECBDRO COCCOC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090549719 436432948 /nfs/dbraw/zinc/43/29/48/436432948.db2.gz NILASPZXRBXWGY-UHFFFAOYSA-N 1 0 325.365 0.884 20 5 ECBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000048245627 436444932 /nfs/dbraw/zinc/44/49/32/436444932.db2.gz JFXFQWGPRDEBAI-ZDUSSCGKSA-N 1 0 330.348 0.577 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000047633005 436427493 /nfs/dbraw/zinc/42/74/93/436427493.db2.gz SAKCNMICMXTJDT-CQSZACIVSA-N 1 0 337.380 0.505 20 5 ECBDRO CC(C)(C)N1C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O ZINC000521613704 301790791 /nfs/dbraw/zinc/79/07/91/301790791.db2.gz YAKDJRPUEUWLJC-PWSUYJOCSA-N 1 0 325.369 0.141 20 5 ECBDRO COc1cc(C(=O)N2CCN(CC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000114676417 436643352 /nfs/dbraw/zinc/64/33/52/436643352.db2.gz VSXUNCCAAACXLA-UHFFFAOYSA-N 1 0 336.392 0.923 20 5 ECBDRO O=C1CCCN1CCC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000551815632 302364721 /nfs/dbraw/zinc/36/47/21/302364721.db2.gz CPUTXHHQHVZLGW-ZDUSSCGKSA-N 1 0 337.376 0.937 20 5 ECBDRO Cc1sc(C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000552082641 302383738 /nfs/dbraw/zinc/38/37/38/302383738.db2.gz ZCHKLGGXIZSUEL-MRVPVSSYSA-N 1 0 328.394 0.761 20 5 ECBDRO COc1cc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000150809520 436690656 /nfs/dbraw/zinc/69/06/56/436690656.db2.gz LACKMKPJRNSTKT-SNVBAGLBSA-N 1 0 329.378 0.928 20 5 ECBDRO CC[N@@H+]1CCCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000272346523 436711795 /nfs/dbraw/zinc/71/17/95/436711795.db2.gz CNXWOCLCKKCQDH-UHFFFAOYSA-N 1 0 328.394 0.774 20 5 ECBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000556850795 302452728 /nfs/dbraw/zinc/45/27/28/302452728.db2.gz IHQZCASCPOCMJY-QGZVFWFLSA-N 1 0 348.403 0.970 20 5 ECBDRO Cc1cc(C(=O)N2CCC[C@H]2C(=O)NC[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000194936095 436675463 /nfs/dbraw/zinc/67/54/63/436675463.db2.gz RLPVYVZJGHDRRT-RISCZKNCSA-N 1 0 334.376 0.971 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1CC[NH2+]CC1 ZINC000194987224 436675469 /nfs/dbraw/zinc/67/54/69/436675469.db2.gz BDYCCXSLRBZPMZ-UHFFFAOYSA-N 1 0 329.378 0.881 20 5 ECBDRO Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NC[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000194936081 436675660 /nfs/dbraw/zinc/67/56/60/436675660.db2.gz RLPVYVZJGHDRRT-BXUZGUMPSA-N 1 0 334.376 0.971 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+](C)C1CC1 ZINC000067717816 436721523 /nfs/dbraw/zinc/72/15/23/436721523.db2.gz ASZUAUSGZYFQMJ-UHFFFAOYSA-N 1 0 329.378 0.976 20 5 ECBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000237145641 436725004 /nfs/dbraw/zinc/72/50/04/436725004.db2.gz AURBXHPVAIWKBO-ZDUSSCGKSA-N 1 0 330.348 1.000 20 5 ECBDRO Cc1c(NC(=O)CCN2CC[NH+](CCO)CC2)cccc1[N+](=O)[O-] ZINC000068128251 436734844 /nfs/dbraw/zinc/73/48/44/436734844.db2.gz VQCHLZVBKMZKQR-UHFFFAOYSA-N 1 0 336.392 0.842 20 5 ECBDRO Cc1cc(=O)c(C(=O)N(C)[C@@H](C)C[NH3+])nn1-c1ccccc1[N+](=O)[O-] ZINC000237481458 436735670 /nfs/dbraw/zinc/73/56/70/436735670.db2.gz VKKCYSMWIMDORF-NSHDSACASA-N 1 0 345.359 0.868 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000237621910 436739274 /nfs/dbraw/zinc/73/92/74/436739274.db2.gz AAUQUIISGDYXCU-ZKYQVNSYSA-N 1 0 334.376 0.957 20 5 ECBDRO Cc1cc(=O)c(C(=O)N(C)[C@H](C)C[NH3+])nn1-c1ccccc1[N+](=O)[O-] ZINC000237650204 436741727 /nfs/dbraw/zinc/74/17/27/436741727.db2.gz VKKCYSMWIMDORF-LLVKDONJSA-N 1 0 345.359 0.868 20 5 ECBDRO Cc1ccc(S(=O)(=O)NCCCN2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000237740758 436743407 /nfs/dbraw/zinc/74/34/07/436743407.db2.gz MNTILDLZMXOQNT-UHFFFAOYSA-N 1 0 342.421 0.477 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000068644780 436750443 /nfs/dbraw/zinc/75/04/43/436750443.db2.gz WQGWIJLMQBMGHC-SNVBAGLBSA-N 1 0 338.364 0.998 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000248701782 436809114 /nfs/dbraw/zinc/80/91/14/436809114.db2.gz ZTXZNVGOHQZAAB-MVWJERBFSA-N 1 0 341.389 0.961 20 5 ECBDRO C[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1CN(C)CCO1 ZINC000156292069 436813405 /nfs/dbraw/zinc/81/34/05/436813405.db2.gz LTEOYCATBZKBBI-FZMZJTMJSA-N 1 0 343.405 0.733 20 5 ECBDRO CCc1n[nH]c(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000274580925 436845793 /nfs/dbraw/zinc/84/57/93/436845793.db2.gz HLVLRLHQFZNXPY-LLVKDONJSA-N 1 0 338.412 0.636 20 5 ECBDRO O=C(C[C@@H]1CC[NH2+]C1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000129659645 436828320 /nfs/dbraw/zinc/82/83/20/436828320.db2.gz XOINRXIQOQIYGU-ZDUSSCGKSA-N 1 0 346.387 0.879 20 5 ECBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1C(=O)N1CCC[NH2+]CC1 ZINC000160829737 436878835 /nfs/dbraw/zinc/87/88/35/436878835.db2.gz FILGIRGJSJEFSB-NSHDSACASA-N 1 0 336.348 0.614 20 5 ECBDRO [NH3+][C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@H]1c1ccccc1 ZINC000261601302 436878943 /nfs/dbraw/zinc/87/89/43/436878943.db2.gz AGKNGNGMBZHDLS-LSDHHAIUSA-N 1 0 342.355 0.710 20 5 ECBDRO Cc1ccc(S(=O)(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000160807927 436879297 /nfs/dbraw/zinc/87/92/97/436879297.db2.gz ZVIAHIQNAIGCPX-ZWNOBZJWSA-N 1 0 329.378 0.640 20 5 ECBDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000161420256 436890189 /nfs/dbraw/zinc/89/01/89/436890189.db2.gz FMGMSCPDFZCXON-ZDUSSCGKSA-N 1 0 331.394 0.327 20 5 ECBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262057055 436904435 /nfs/dbraw/zinc/90/44/35/436904435.db2.gz NKQDHFIIZYAKJX-AWEZNQCLSA-N 1 0 347.419 0.903 20 5 ECBDRO CN1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C[NH3+])C1 ZINC000162492699 436907457 /nfs/dbraw/zinc/90/74/57/436907457.db2.gz ZZDZTSDWZBRIDD-AWEZNQCLSA-N 1 0 344.375 0.495 20 5 ECBDRO O=C(NC[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1)[C@@H]1CCC[NH2+]1 ZINC000262136126 436908639 /nfs/dbraw/zinc/90/86/39/436908639.db2.gz DOXYDMWKYFRTER-YPMHNXCESA-N 1 0 349.391 0.643 20 5 ECBDRO Cn1cc([C@H](CO)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000275205502 436940899 /nfs/dbraw/zinc/94/08/99/436940899.db2.gz RDNJSOHOFIUJPH-ZFWWWQNUSA-N 1 0 336.348 0.391 20 5 ECBDRO COc1ccc(NC(=O)CC[N@H+](C)CCOCCO)c([N+](=O)[O-])c1 ZINC000282559836 437014529 /nfs/dbraw/zinc/01/45/29/437014529.db2.gz SORIYTSLZDDIDA-UHFFFAOYSA-N 1 0 341.364 0.873 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CCO)C[C@H](C)O ZINC000298695536 437048965 /nfs/dbraw/zinc/04/89/65/437048965.db2.gz ZPXHEJBHOWIPGE-NSHDSACASA-N 1 0 341.364 0.607 20 5 ECBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1nnc2ccccn21 ZINC000174696583 437085895 /nfs/dbraw/zinc/08/58/95/437085895.db2.gz IDPYOPYSWXMOGA-PWSUYJOCSA-N 1 0 331.336 0.546 20 5 ECBDRO C[C@H]1CN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CCN1CCO ZINC000302347750 437143180 /nfs/dbraw/zinc/14/31/80/437143180.db2.gz BCTBTXGHGSBRMJ-JTQLQIEISA-N 1 0 333.348 0.746 20 5 ECBDRO C[N@H+]1C[C@H]2CN(c3cccc(S(C)(=O)=O)c3[N+](=O)[O-])C[C@H]2C1 ZINC000302859414 437150745 /nfs/dbraw/zinc/15/07/45/437150745.db2.gz OEQDOUMKVDHROL-PHIMTYICSA-N 1 0 325.390 0.996 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000304351236 437157976 /nfs/dbraw/zinc/15/79/76/437157976.db2.gz RHFHYHGHPHLKDU-KRWDZBQOSA-N 1 0 345.403 0.970 20 5 ECBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1(CO)CCOCC1 ZINC000276769732 437158397 /nfs/dbraw/zinc/15/83/97/437158397.db2.gz KVVLIKUJFGPESG-CQSZACIVSA-N 1 0 340.376 0.808 20 5 ECBDRO CC[C@@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC)CC1 ZINC000301419972 437122064 /nfs/dbraw/zinc/12/20/64/437122064.db2.gz CKJWJKDKHXCNKS-LBPRGKRZSA-N 1 0 336.392 0.847 20 5 ECBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301674292 437128327 /nfs/dbraw/zinc/12/83/27/437128327.db2.gz GSAJPCSBGRSFRY-NSHDSACASA-N 1 0 349.391 0.974 20 5 ECBDRO C[N@@H+]1CCC[C@H](CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000302129720 437140017 /nfs/dbraw/zinc/14/00/17/437140017.db2.gz JSGZYELYILFRSL-SNVBAGLBSA-N 1 0 328.394 0.996 20 5 ECBDRO C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000317139046 437191473 /nfs/dbraw/zinc/19/14/73/437191473.db2.gz FBTFGYRCNBBUBD-LDYMZIIASA-N 1 0 349.796 0.985 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000322438386 437218353 /nfs/dbraw/zinc/21/83/53/437218353.db2.gz RABFRZVLKQHJLB-ZANVPECISA-N 1 0 345.377 0.340 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000267239505 437308895 /nfs/dbraw/zinc/30/88/95/437308895.db2.gz KIGCUXOCNZTLHQ-UHFFFAOYSA-N 1 0 338.412 0.242 20 5 ECBDRO C[C@@H]1C[NH+](CCCNC(=O)c2cc([N+](=O)[O-])cnc2N)C[C@@H](C)O1 ZINC000180513001 437291337 /nfs/dbraw/zinc/29/13/37/437291337.db2.gz ZTEUBWPAAHYTPW-GHMZBOCLSA-N 1 0 337.380 0.801 20 5 ECBDRO CNC(=O)C1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181521748 437322406 /nfs/dbraw/zinc/32/24/06/437322406.db2.gz YQUYYYXBSCUTOR-CYBMUJFWSA-N 1 0 337.376 0.793 20 5 ECBDRO CCOc1ccc(NC(=O)CN(CCO)C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000289656050 437430599 /nfs/dbraw/zinc/43/05/99/437430599.db2.gz FBRTYKSNJWIEAH-NSHDSACASA-N 1 0 341.364 0.607 20 5 ECBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000289206563 437388925 /nfs/dbraw/zinc/38/89/25/437388925.db2.gz KBIATVQWPOZLRI-LBPRGKRZSA-N 1 0 334.376 0.723 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCOCC3(CCOCC3)C2)c1 ZINC000184099627 437398635 /nfs/dbraw/zinc/39/86/35/437398635.db2.gz SMQKYNSMDLYTAM-AWEZNQCLSA-N 1 0 340.380 0.281 20 5 ECBDRO CN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H](C[NH3+])C1CC1 ZINC000359914207 437485827 /nfs/dbraw/zinc/48/58/27/437485827.db2.gz TZKJCVITHSPYRF-GFCCVEGCSA-N 1 0 336.348 0.931 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000269167539 437462131 /nfs/dbraw/zinc/46/21/31/437462131.db2.gz RGHHAGADCLNMOB-UHFFFAOYSA-N 1 0 345.363 0.543 20 5 ECBDRO C[C@H](CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C[NH+](C)C ZINC000340658586 437705783 /nfs/dbraw/zinc/70/57/83/437705783.db2.gz BGQGWMRCPJBGNC-SECBINFHSA-N 1 0 326.328 0.986 20 5 ECBDRO CN(c1ncc([N+](=O)[O-])c(N)n1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000363063409 437766651 /nfs/dbraw/zinc/76/66/51/437766651.db2.gz AYTKAGJDSOBUII-LBPRGKRZSA-N 1 0 335.412 0.572 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000423590038 437769847 /nfs/dbraw/zinc/76/98/47/437769847.db2.gz AXRWETPXSRSMQZ-WCQYABFASA-N 1 0 334.376 0.890 20 5 ECBDRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc([N+](=O)[O-])o1 ZINC000363217957 437775777 /nfs/dbraw/zinc/77/57/77/437775777.db2.gz DFTRVGZNYGWORD-GFCCVEGCSA-N 1 0 338.364 0.324 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N[C@@H]2CCC[NH2+][C@H]2C)ccc1[N+](=O)[O-] ZINC000423620913 437781801 /nfs/dbraw/zinc/78/18/01/437781801.db2.gz XAUSJZYJZGSYBA-WCQYABFASA-N 1 0 334.376 0.890 20 5 ECBDRO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000423624109 437782788 /nfs/dbraw/zinc/78/27/88/437782788.db2.gz BEMPHMBGQLAQTL-GZMMTYOYSA-N 1 0 344.165 0.667 20 5 ECBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000423666140 437796862 /nfs/dbraw/zinc/79/68/62/437796862.db2.gz JRFRALIYYIIVDA-GWCFXTLKSA-N 1 0 335.364 0.342 20 5 ECBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415678482 437840225 /nfs/dbraw/zinc/84/02/25/437840225.db2.gz WUKTWBFYULVEQV-TXEJJXNPSA-N 1 0 332.360 0.828 20 5 ECBDRO CC(C)OCC[NH+]1CCC(NC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000347681054 437932431 /nfs/dbraw/zinc/93/24/31/437932431.db2.gz JEANUEVINCGAPQ-UHFFFAOYSA-N 1 0 339.396 0.948 20 5 ECBDRO C[NH+](C)CCn1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)n1 ZINC000357603825 438022348 /nfs/dbraw/zinc/02/23/48/438022348.db2.gz KWOTXMURTRJRBE-UHFFFAOYSA-N 1 0 336.327 1.327 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000348274437 438038002 /nfs/dbraw/zinc/03/80/02/438038002.db2.gz BLTBVJZGJFCJBL-JTQLQIEISA-N 1 0 329.378 0.928 20 5 ECBDRO CC[NH+](CC)CC[C@H](CO)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357679428 438042190 /nfs/dbraw/zinc/04/21/90/438042190.db2.gz JDXSKLNXIVXRIQ-SNVBAGLBSA-N 1 0 325.369 0.593 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])n1 ZINC000357715890 438048890 /nfs/dbraw/zinc/04/88/90/438048890.db2.gz YMQKULBZXLYCRN-VHSXEESVSA-N 1 0 329.382 0.041 20 5 ECBDRO CCCn1nc2c(cc1=O)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000371845012 438002213 /nfs/dbraw/zinc/00/22/13/438002213.db2.gz YKGCTYDNKBIKFB-UHFFFAOYSA-N 1 0 332.364 0.816 20 5 ECBDRO NC(=O)N[C@H]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000342877890 438079678 /nfs/dbraw/zinc/07/96/78/438079678.db2.gz XMGHLMUIXYJFJG-GWCFXTLKSA-N 1 0 333.348 0.443 20 5 ECBDRO O=C(NCCC[NH2+]C1CC1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000418287322 438124186 /nfs/dbraw/zinc/12/41/86/438124186.db2.gz KAWPKJVZXSOHCB-UHFFFAOYSA-N 1 0 348.407 0.964 20 5 ECBDRO Cc1cc(S(=O)(=O)NC[C@]2(O)CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000358210959 438181691 /nfs/dbraw/zinc/18/16/91/438181691.db2.gz JXVOYPPVQLDUFO-CYBMUJFWSA-N 1 0 329.378 0.248 20 5 ECBDRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000358215269 438184504 /nfs/dbraw/zinc/18/45/04/438184504.db2.gz RTWVRDBOWSDRDR-GFCCVEGCSA-N 1 0 349.796 0.593 20 5 ECBDRO COc1c[nH+]ccc1N1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000358284425 438192525 /nfs/dbraw/zinc/19/25/25/438192525.db2.gz CEAMIDUZTAWIJE-UHFFFAOYSA-N 1 0 346.347 0.694 20 5 ECBDRO O=C1C[C@H]([C@H]2CCCC[N@H+]2CCn2cc([N+](=O)[O-])ccc2=O)CN1 ZINC000367018849 438155860 /nfs/dbraw/zinc/15/58/60/438155860.db2.gz DAQIDYBYCOLVQT-GXTWGEPZSA-N 1 0 334.376 0.747 20 5 ECBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000367149706 438171954 /nfs/dbraw/zinc/17/19/54/438171954.db2.gz XLMSVFSLVPYBBQ-HNNXBMFYSA-N 1 0 333.392 0.513 20 5 ECBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)NCCc3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000418858686 438219998 /nfs/dbraw/zinc/21/99/98/438219998.db2.gz ADUMNXVXLLPRRY-BPLDGKMQSA-N 1 0 346.387 0.449 20 5 ECBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000418875485 438229999 /nfs/dbraw/zinc/22/99/99/438229999.db2.gz WVHOZJRJMKUUAV-SWLSCSKDSA-N 1 0 348.403 0.982 20 5 ECBDRO COc1ccc(CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000418950860 438261439 /nfs/dbraw/zinc/26/14/39/438261439.db2.gz UDMPZLNWZHUNOG-SNVBAGLBSA-N 1 0 336.348 0.040 20 5 ECBDRO CC(C)(NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000351526150 438278216 /nfs/dbraw/zinc/27/82/16/438278216.db2.gz WLFDLIAOWOIWRG-CYBMUJFWSA-N 1 0 334.376 0.814 20 5 ECBDRO CNC(=O)c1ccc(N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000419006366 438280638 /nfs/dbraw/zinc/28/06/38/438280638.db2.gz QEPLGNFXZLCRFJ-VXGBXAGGSA-N 1 0 336.392 0.846 20 5 ECBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000418928865 438252432 /nfs/dbraw/zinc/25/24/32/438252432.db2.gz ZWQWWBFGBHSRLF-IUODEOHRSA-N 1 0 348.403 0.982 20 5 ECBDRO COc1ccc(CNC(=O)C(=O)N2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000418934362 438253652 /nfs/dbraw/zinc/25/36/52/438253652.db2.gz JARUOEVTGJFNAZ-SNVBAGLBSA-N 1 0 336.348 0.040 20 5 ECBDRO Cc1c(C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000368368202 438320958 /nfs/dbraw/zinc/32/09/58/438320958.db2.gz ADZABCNWZLHKMT-SMDDNHRTSA-N 1 0 342.359 0.918 20 5 ECBDRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000419032314 438298156 /nfs/dbraw/zinc/29/81/56/438298156.db2.gz BAEQXUXHBZRVLP-ZDUSSCGKSA-N 1 0 336.392 0.887 20 5 ECBDRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000419881952 438375338 /nfs/dbraw/zinc/37/53/38/438375338.db2.gz BSRGWDUPNYHULJ-ZDUSSCGKSA-N 1 0 346.387 0.954 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1C[NH2+]CCN1C ZINC000394092586 438444003 /nfs/dbraw/zinc/44/40/03/438444003.db2.gz DEJAHWXWIXBLFO-GFCCVEGCSA-N 1 0 328.394 0.085 20 5 ECBDRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000408033844 438494249 /nfs/dbraw/zinc/49/42/49/438494249.db2.gz QGVUKLWMXQFWRD-INIZCTEOSA-N 1 0 330.388 0.869 20 5 ECBDRO CCCC(=O)N1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000369781810 438514074 /nfs/dbraw/zinc/51/40/74/438514074.db2.gz IYLZPKLHSZWLCF-AWEZNQCLSA-N 1 0 339.396 0.487 20 5 ECBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000353844140 438544666 /nfs/dbraw/zinc/54/46/66/438544666.db2.gz KIBREBSFMKHNJI-UHFFFAOYSA-N 1 0 348.363 0.902 20 5 ECBDRO C[C@@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]1 ZINC000422936411 438618806 /nfs/dbraw/zinc/61/88/06/438618806.db2.gz MIXCPOSLIYYOKE-RISCZKNCSA-N 1 0 342.421 0.603 20 5 ECBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423103410 438638216 /nfs/dbraw/zinc/63/82/16/438638216.db2.gz PLPVOUGWUFEXND-GXTWGEPZSA-N 1 0 346.387 0.621 20 5 ECBDRO Nc1c(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)cc(F)cc1[N+](=O)[O-] ZINC000452352677 438653928 /nfs/dbraw/zinc/65/39/28/438653928.db2.gz SMLNSTQQAXDIHU-LLVKDONJSA-N 1 0 340.355 0.893 20 5 ECBDRO O=C(C[NH2+][C@@H](CO)[C@@H]1CCCO1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000447901071 438680357 /nfs/dbraw/zinc/68/03/57/438680357.db2.gz AYFYWKRRISKOAA-ZFWWWQNUSA-N 1 0 335.360 0.613 20 5 ECBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CNCCN1C ZINC000414974395 438724444 /nfs/dbraw/zinc/72/44/44/438724444.db2.gz KFFXETRAQNOCMB-IUODEOHRSA-N 1 0 335.408 0.805 20 5 ECBDRO C[C@@]1(CNCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000415080770 438727725 /nfs/dbraw/zinc/72/77/25/438727725.db2.gz MAFMIZGZLYHRFJ-CQSZACIVSA-N 1 0 342.421 0.462 20 5 ECBDRO C[C@]1(CNCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000415080767 438728698 /nfs/dbraw/zinc/72/86/98/438728698.db2.gz MAFMIZGZLYHRFJ-AWEZNQCLSA-N 1 0 342.421 0.462 20 5 ECBDRO COc1cc(CN2C(=O)N[C@]3(CCC[NH2+]C3)C2=O)ccc1[N+](=O)[O-] ZINC000576751356 438796736 /nfs/dbraw/zinc/79/67/36/438796736.db2.gz HWTCNDYBJUGXMO-HNNXBMFYSA-N 1 0 334.332 0.777 20 5 ECBDRO COCC[N@H+](C)C[C@@H](O)CN1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000576122086 438770458 /nfs/dbraw/zinc/77/04/58/438770458.db2.gz VWHJRQBFXQRBHT-CQSZACIVSA-N 1 0 339.392 0.597 20 5 ECBDRO CCc1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000576399204 438780636 /nfs/dbraw/zinc/78/06/36/438780636.db2.gz JGCCURBFZKOJRF-LLVKDONJSA-N 1 0 329.378 0.424 20 5 ECBDRO O=C1CC[C@@H]2C[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@@H]2N1 ZINC000595742150 438855292 /nfs/dbraw/zinc/85/52/92/438855292.db2.gz OOLJOAUTZFFYLH-INWMFGNUSA-N 1 0 349.387 0.935 20 5 ECBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588860107 438843378 /nfs/dbraw/zinc/84/33/78/438843378.db2.gz DMOOYPYFYOUJDT-NWDGAFQWSA-N 1 0 345.359 0.752 20 5 ECBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@H](CO)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000588966340 438851293 /nfs/dbraw/zinc/85/12/93/438851293.db2.gz PYIWOACXCLCAMS-YWPYICTPSA-N 1 0 337.376 0.905 20 5 ECBDRO CS(=O)(=O)C1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000577603592 438855057 /nfs/dbraw/zinc/85/50/57/438855057.db2.gz OCBBGWCRNWANGY-LBPRGKRZSA-N 1 0 344.389 0.501 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000590045251 438899057 /nfs/dbraw/zinc/89/90/57/438899057.db2.gz OEUOIEUGGWZDJM-WHOFXGATSA-N 1 0 346.387 0.876 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000590045246 438899401 /nfs/dbraw/zinc/89/94/01/438899401.db2.gz OEUOIEUGGWZDJM-CORIIIEPSA-N 1 0 346.387 0.876 20 5 ECBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000578192442 438904009 /nfs/dbraw/zinc/90/40/09/438904009.db2.gz QKXOEGDDOOPUFX-CYBMUJFWSA-N 1 0 326.378 0.754 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccnc(OC(F)F)c2)c1 ZINC000515376345 438863752 /nfs/dbraw/zinc/86/37/52/438863752.db2.gz JSRBAIVMLQZUHT-LLVKDONJSA-N 1 0 343.290 0.938 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000589925683 438891290 /nfs/dbraw/zinc/89/12/90/438891290.db2.gz OAEWFMQHIFTGAH-ZYHUDNBSSA-N 1 0 341.389 0.928 20 5 ECBDRO NC(=O)CC1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCCC1 ZINC000596069522 438919933 /nfs/dbraw/zinc/91/99/33/438919933.db2.gz LJDQANPWQFAOGF-ZDUSSCGKSA-N 1 0 339.396 0.568 20 5 ECBDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000596070189 438920289 /nfs/dbraw/zinc/92/02/89/438920289.db2.gz NUMGINHGPTXPAU-DAXOMENPSA-N 1 0 334.376 0.906 20 5 ECBDRO C[N@@H+]1C[C@H]2CCN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000590447551 438925496 /nfs/dbraw/zinc/92/54/96/438925496.db2.gz YUZOVHOGOBOMBH-HIFRSBDPSA-N 1 0 346.387 0.877 20 5 ECBDRO Cc1nn(C)c(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000590565679 438935059 /nfs/dbraw/zinc/93/50/59/438935059.db2.gz PJNJJYAVWKFSKP-VXGBXAGGSA-N 1 0 337.380 0.572 20 5 ECBDRO Cc1cc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000590591661 438939331 /nfs/dbraw/zinc/93/93/31/438939331.db2.gz WFKQCUGAHFZFRV-ZDUSSCGKSA-N 1 0 349.384 0.633 20 5 ECBDRO O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000578625622 438941077 /nfs/dbraw/zinc/94/10/77/438941077.db2.gz ZJLJBKALHGOFPO-BETUJISGSA-N 1 0 332.360 0.564 20 5 ECBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)NCCN1CC[NH2+]CC1 ZINC000578742242 438948907 /nfs/dbraw/zinc/94/89/07/438948907.db2.gz LQXHGXGKLPOQJK-UHFFFAOYSA-N 1 0 337.380 0.178 20 5 ECBDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000517234019 438956569 /nfs/dbraw/zinc/95/65/69/438956569.db2.gz NQSCTAHCQYPNKK-SWLSCSKDSA-N 1 0 346.387 0.877 20 5 ECBDRO O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601983247 438995525 /nfs/dbraw/zinc/99/55/25/438995525.db2.gz MEUMPYHABSQJKY-OLZOCXBDSA-N 1 0 348.407 0.800 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000591299741 438998294 /nfs/dbraw/zinc/99/82/94/438998294.db2.gz TZLWSAVNHMUSFX-GXFFZTMASA-N 1 0 336.348 0.416 20 5 ECBDRO COc1ccc(CNC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000591346355 439006011 /nfs/dbraw/zinc/00/60/11/439006011.db2.gz YLQUTUGKMQDYSC-HZMBPMFUSA-N 1 0 338.364 0.861 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccnc(N3CCCC3)c2)c1 ZINC000566107532 439008534 /nfs/dbraw/zinc/00/85/34/439008534.db2.gz LKUFTFCRNTZKNV-HNNXBMFYSA-N 1 0 346.391 0.937 20 5 ECBDRO CC[NH+](CC)CCOCCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000566451159 439055640 /nfs/dbraw/zinc/05/56/40/439055640.db2.gz PJNQTHSHTMYZHA-UHFFFAOYSA-N 1 0 325.369 0.660 20 5 ECBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCC[NH2+]C1CC1 ZINC000591679241 439060236 /nfs/dbraw/zinc/06/02/36/439060236.db2.gz RHZVJONBTIBRJA-UHFFFAOYSA-N 1 0 334.332 0.188 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000591415863 439012147 /nfs/dbraw/zinc/01/21/47/439012147.db2.gz BJXXHFLRHGMIPN-CQSZACIVSA-N 1 0 348.403 0.976 20 5 ECBDRO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591438094 439015469 /nfs/dbraw/zinc/01/54/69/439015469.db2.gz KXIYSNFUYVANKY-GXSJLCMTSA-N 1 0 326.378 0.430 20 5 ECBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000580619662 439110814 /nfs/dbraw/zinc/11/08/14/439110814.db2.gz PXUMDEIEUBFSEG-INIZCTEOSA-N 1 0 334.376 0.580 20 5 ECBDRO CNC(=O)c1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000519803587 439064684 /nfs/dbraw/zinc/06/46/84/439064684.db2.gz XJHFXXUKZYILJA-CQSZACIVSA-N 1 0 333.348 0.302 20 5 ECBDRO Cc1cn2c(n1)[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000591757162 439081588 /nfs/dbraw/zinc/08/15/88/439081588.db2.gz MONQHSVGGUORPC-TZMCWYRMSA-N 1 0 334.380 0.824 20 5 ECBDRO O=C(Cn1cnc2c(c1=O)CC[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000592176744 439171066 /nfs/dbraw/zinc/17/10/66/439171066.db2.gz DBHVVTVNDRAYCY-UHFFFAOYSA-N 1 0 328.328 0.723 20 5 ECBDRO CO[C@@H]1C[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1OC ZINC000488032466 439171471 /nfs/dbraw/zinc/17/14/71/439171471.db2.gz GZSBEYPPLSUDRA-BPLDGKMQSA-N 1 0 326.349 0.680 20 5 ECBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000602790496 439134055 /nfs/dbraw/zinc/13/40/55/439134055.db2.gz JVNGXLTTXQGSPE-HNNXBMFYSA-N 1 0 336.440 0.812 20 5 ECBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000597627725 439143316 /nfs/dbraw/zinc/14/33/16/439143316.db2.gz WMBUZHSIPQVRHB-AWEZNQCLSA-N 1 0 336.367 0.783 20 5 ECBDRO CN1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C(C)(C)C ZINC000602873252 439149253 /nfs/dbraw/zinc/14/92/53/439149253.db2.gz IFYBQYYCDACHKW-KBPBESRZSA-N 1 0 325.413 0.814 20 5 ECBDRO CC[C@H]([NH3+])CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000568087131 439211874 /nfs/dbraw/zinc/21/18/74/439211874.db2.gz QDVDDZOCRRBLOV-QMMMGPOBSA-N 1 0 328.756 0.832 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000592367452 439212481 /nfs/dbraw/zinc/21/24/81/439212481.db2.gz VMMNDDTYJSTQJI-SECBINFHSA-N 1 0 343.361 0.351 20 5 ECBDRO C[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CO1 ZINC000592365752 439212663 /nfs/dbraw/zinc/21/26/63/439212663.db2.gz YWHFQWHIFGSQNU-MNOVXSKESA-N 1 0 329.378 0.640 20 5 ECBDRO C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000592375742 439213607 /nfs/dbraw/zinc/21/36/07/439213607.db2.gz WRSRFCPUJZUPDT-ZWNOBZJWSA-N 1 0 329.378 0.473 20 5 ECBDRO C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000592374993 439214281 /nfs/dbraw/zinc/21/42/81/439214281.db2.gz RAETXIVPBZJDAK-BXUZGUMPSA-N 1 0 343.405 0.515 20 5 ECBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c1C ZINC000592374277 439214423 /nfs/dbraw/zinc/21/44/23/439214423.db2.gz JTVFGLPHSYFPPI-WCQYABFASA-N 1 0 343.405 0.948 20 5 ECBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000568783503 439279317 /nfs/dbraw/zinc/27/93/17/439279317.db2.gz VRWGVMJKZLRHBU-VXGBXAGGSA-N 1 0 347.375 0.987 20 5 ECBDRO CC[NH+]1CCN(CCNc2nccc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000598586996 439282405 /nfs/dbraw/zinc/28/24/05/439282405.db2.gz LDNSWZIVBYWBMC-UHFFFAOYSA-N 1 0 337.380 0.826 20 5 ECBDRO COc1cc(C(=O)N(C)CCN2CC[NH2+]CC2)cc([N+](=O)[O-])c1C ZINC000592469517 439233988 /nfs/dbraw/zinc/23/39/88/439233988.db2.gz SRHREPYVZYVRDG-UHFFFAOYSA-N 1 0 336.392 0.889 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2COc3ccccc3O2)c1 ZINC000581645813 439236039 /nfs/dbraw/zinc/23/60/39/439236039.db2.gz ASSAJBBNFKRYEQ-OLZOCXBDSA-N 1 0 334.332 0.582 20 5 ECBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CCN1CC[NH2+]CC1 ZINC000592472052 439236782 /nfs/dbraw/zinc/23/67/82/439236782.db2.gz GCTSAOLCRZMGEN-UHFFFAOYSA-N 1 0 335.408 0.679 20 5 ECBDRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000598188595 439237295 /nfs/dbraw/zinc/23/72/95/439237295.db2.gz VHSBDPIRWGWMJK-UHFFFAOYSA-N 1 0 325.369 0.025 20 5 ECBDRO CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000568857838 439284253 /nfs/dbraw/zinc/28/42/53/439284253.db2.gz RPLTUIRXLNYWTH-YRGRVCCFSA-N 1 0 339.396 0.389 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592555552 439252819 /nfs/dbraw/zinc/25/28/19/439252819.db2.gz ZHIJTHIHNDMASE-ZIAGYGMSSA-N 1 0 348.403 0.995 20 5 ECBDRO [NH3+][C@H]1C[C@H]2CN(c3nccc4cc([N+](=O)[O-])ccc43)CCN2C1=O ZINC000568532496 439258035 /nfs/dbraw/zinc/25/80/35/439258035.db2.gz GYCFPJMJBURYTH-JSGCOSHPSA-N 1 0 327.344 0.891 20 5 ECBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]Cc2cn[nH]c2)c1 ZINC000604550271 439318032 /nfs/dbraw/zinc/31/80/32/439318032.db2.gz WFUNPTNYFIBVNH-UHFFFAOYSA-N 1 0 325.350 0.386 20 5 ECBDRO COC[C@H]1C[C@@H](O)C[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000593067088 439337814 /nfs/dbraw/zinc/33/78/14/439337814.db2.gz STSSMLYGZWSPLB-JHJVBQTASA-N 1 0 326.349 0.416 20 5 ECBDRO CS[C@@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000582131292 439295296 /nfs/dbraw/zinc/29/52/96/439295296.db2.gz DALRLLAITWBPGB-VHSXEESVSA-N 1 0 325.394 0.690 20 5 ECBDRO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCC[NH2+]1 ZINC000598663143 439298930 /nfs/dbraw/zinc/29/89/30/439298930.db2.gz TYFBIBDGSUMCSO-LBPRGKRZSA-N 1 0 335.364 0.975 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)cccc1[N+](=O)[O-] ZINC000598683407 439302699 /nfs/dbraw/zinc/30/26/99/439302699.db2.gz GDWCFGFEBUSDQG-CXAGYDPISA-N 1 0 346.387 0.859 20 5 ECBDRO COc1ccc(S(=O)(=O)N(C)CCOCC[NH3+])cc1[N+](=O)[O-] ZINC000599112392 439361631 /nfs/dbraw/zinc/36/16/31/439361631.db2.gz ZFGQPDRDYYKYJC-UHFFFAOYSA-N 1 0 333.366 0.199 20 5 ECBDRO CN(CCOCC[NH3+])S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000599110246 439362004 /nfs/dbraw/zinc/36/20/04/439362004.db2.gz MURBEAZTPILMCV-UHFFFAOYSA-N 1 0 331.394 0.374 20 5 ECBDRO Cc1ccc(S(=O)(=O)NCCOCCC[NH3+])c(C)c1[N+](=O)[O-] ZINC000599110272 439362486 /nfs/dbraw/zinc/36/24/86/439362486.db2.gz OCPGHIXGNXIIPY-UHFFFAOYSA-N 1 0 331.394 0.855 20 5 ECBDRO Nc1nc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nc(N)[nH+]1 ZINC000599052129 439349421 /nfs/dbraw/zinc/34/94/21/439349421.db2.gz MCXUSQKPTHTTGX-UHFFFAOYSA-N 1 0 331.336 0.653 20 5 ECBDRO O=C1CCC(=O)N1CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000569687445 439355667 /nfs/dbraw/zinc/35/56/67/439355667.db2.gz UZDZNSACVHRXLZ-LBPRGKRZSA-N 1 0 337.332 0.073 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)n1 ZINC000599100740 439356637 /nfs/dbraw/zinc/35/66/37/439356637.db2.gz MWLOFQULJLJSOD-WDEREUQCSA-N 1 0 343.409 0.481 20 5 ECBDRO C[C@H]1CC2(CN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000599099627 439356758 /nfs/dbraw/zinc/35/67/58/439356758.db2.gz GZWMDEDKOYVZEV-JTQLQIEISA-N 1 0 343.409 0.481 20 5 ECBDRO Cc1ccc(S(=O)(=O)NC2(C[NH3+])CCOCC2)c(C)c1[N+](=O)[O-] ZINC000599105136 439358735 /nfs/dbraw/zinc/35/87/35/439358735.db2.gz YYRYXMBWXRHCOV-UHFFFAOYSA-N 1 0 343.405 0.998 20 5 ECBDRO C[C@@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCC[NH+](C)C ZINC000582735957 439373892 /nfs/dbraw/zinc/37/38/92/439373892.db2.gz PIJFAOKHLFEVPP-VXGBXAGGSA-N 1 0 336.392 0.881 20 5 ECBDRO C[C@@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000599227678 439391224 /nfs/dbraw/zinc/39/12/24/439391224.db2.gz UZMHAJVXTLAYQW-NSHDSACASA-N 1 0 345.425 0.729 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC[N@H+](C)C2CCCC2)n1 ZINC000599231685 439392219 /nfs/dbraw/zinc/39/22/19/439392219.db2.gz BJRQVKOINXHBDE-UHFFFAOYSA-N 1 0 331.398 0.481 20 5 ECBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599250181 439400243 /nfs/dbraw/zinc/40/02/43/439400243.db2.gz AUAJYJBWHDLVCT-LLVKDONJSA-N 1 0 345.425 0.681 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2([NH+](C)C)CCCC2)n1 ZINC000599216809 439385667 /nfs/dbraw/zinc/38/56/67/439385667.db2.gz WSLRSUAPVVCKKN-UHFFFAOYSA-N 1 0 331.398 0.481 20 5 ECBDRO C[NH+](C)CCN1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000593485760 439387467 /nfs/dbraw/zinc/38/74/67/439387467.db2.gz CVQADRMIRRJRLL-UHFFFAOYSA-N 1 0 344.375 0.748 20 5 ECBDRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000583058891 439412969 /nfs/dbraw/zinc/41/29/69/439412969.db2.gz CRACIGKBSPDGLI-CYBMUJFWSA-N 1 0 345.359 0.815 20 5 ECBDRO O=C1C[C@H]([NH2+]CCn2cccn2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000583151577 439427972 /nfs/dbraw/zinc/42/79/72/439427972.db2.gz CAVKNSJOODQPHA-ZDUSSCGKSA-N 1 0 329.316 0.713 20 5 ECBDRO COC(=O)C1CC[NH+](CCCNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000570818591 439454324 /nfs/dbraw/zinc/45/43/24/439454324.db2.gz FMLQGHMVLXLNTO-UHFFFAOYSA-N 1 0 339.352 0.323 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000599531098 439498850 /nfs/dbraw/zinc/49/88/50/439498850.db2.gz HXRWRCCCBJSISD-STQMWFEESA-N 1 0 337.376 0.764 20 5 ECBDRO O=c1ccc([C@@H]2CCC[N@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000599642924 439524382 /nfs/dbraw/zinc/52/43/82/439524382.db2.gz XOKDVTUEFMWCAB-AAEUAGOBSA-N 1 0 334.336 0.485 20 5 ECBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000608799914 439545574 /nfs/dbraw/zinc/54/55/74/439545574.db2.gz QRWAQSNCZZNJBG-LLVKDONJSA-N 1 0 336.348 0.742 20 5 ECBDRO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+](C)C ZINC000594359326 439547946 /nfs/dbraw/zinc/54/79/46/439547946.db2.gz BUVVICKLTGGCFV-BYCMXARLSA-N 1 0 348.403 0.881 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N[C@@H](C[NH3+])C(F)(F)F)ccc1[N+](=O)[O-] ZINC000594451370 439562753 /nfs/dbraw/zinc/56/27/53/439562753.db2.gz SKYNVJYEEGWNLI-JTQLQIEISA-N 1 0 348.281 0.639 20 5 ECBDRO C[NH2+]CCOCCN(C)C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000599894124 439570822 /nfs/dbraw/zinc/57/08/22/439570822.db2.gz PNGDHNRCPMKUJT-UHFFFAOYSA-N 1 0 338.364 0.536 20 5 ECBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000599937693 439578857 /nfs/dbraw/zinc/57/88/57/439578857.db2.gz IAVSPIUOEDJFEG-QWRGUYRKSA-N 1 0 349.343 0.605 20 5 ECBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594761359 439603908 /nfs/dbraw/zinc/60/39/08/439603908.db2.gz XIINUXWWRYCGQO-MNOVXSKESA-N 1 0 328.394 0.951 20 5 ECBDRO Cc1c(CC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000572735847 439606238 /nfs/dbraw/zinc/60/62/38/439606238.db2.gz FWVVGDGEVXOHIQ-QWHCGFSZSA-N 1 0 332.360 0.216 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](CCO)CCc2ccccc2)c1 ZINC000610369601 439612789 /nfs/dbraw/zinc/61/27/89/439612789.db2.gz UWCWZIOGIZYGND-INIZCTEOSA-N 1 0 334.376 0.689 20 5 ECBDRO CN1CC[NH2+]C[C@H]1CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000584769441 439613786 /nfs/dbraw/zinc/61/37/86/439613786.db2.gz NLTOBHAYUUERPQ-ZDUSSCGKSA-N 1 0 337.380 0.176 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC2CC1(C[NH3+])C2 ZINC000595116998 439656372 /nfs/dbraw/zinc/65/63/72/439656372.db2.gz BLKSGHGIWFEBJG-UHFFFAOYSA-N 1 0 327.362 0.715 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595123112 439657330 /nfs/dbraw/zinc/65/73/30/439657330.db2.gz RWRHYEXSNYXEFH-RKDXNWHRSA-N 1 0 333.341 0.663 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000600470910 439667776 /nfs/dbraw/zinc/66/77/76/439667776.db2.gz JOWYAJXFDZEKOU-ZDUSSCGKSA-N 1 0 334.376 0.890 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H](O)[C@H]2CCCO2)cc1 ZINC000600752921 439699122 /nfs/dbraw/zinc/69/91/22/439699122.db2.gz DXBMROZTVKGSDY-UONOGXRCSA-N 1 0 344.389 0.498 20 5 ECBDRO C[C@@H]1[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCS1(=O)=O ZINC000600757206 439699640 /nfs/dbraw/zinc/69/96/40/439699640.db2.gz QPXVVEYWPWAIEX-MPKXVKKWSA-N 1 0 344.389 0.500 20 5 ECBDRO C[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000611572440 439707742 /nfs/dbraw/zinc/70/77/42/439707742.db2.gz ARWMPDDJICBGRY-NWDGAFQWSA-N 1 0 336.396 0.956 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CCOCC[NH3+] ZINC000600732540 439697045 /nfs/dbraw/zinc/69/70/45/439697045.db2.gz CONKMUOVGARLDP-UHFFFAOYSA-N 1 0 326.353 0.449 20 5 ECBDRO CCc1n[nH]c(C(=O)NCCCN2CCC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000618214137 440074467 /nfs/dbraw/zinc/07/44/67/440074467.db2.gz CPQZRONDZVWOJZ-UHFFFAOYSA-N 1 0 338.412 0.638 20 5 ECBDRO COC1(CO)CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000618550717 440132082 /nfs/dbraw/zinc/13/20/82/440132082.db2.gz BDXQSBDDCGMKMW-ZDUSSCGKSA-N 1 0 340.376 0.808 20 5 ECBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCNS(=O)(=O)NC(C)C ZINC000277099993 320583735 /nfs/dbraw/zinc/58/37/35/320583735.db2.gz WGRBWTHRXWQSBQ-UHFFFAOYSA-N 1 0 330.410 0.825 20 5 ECBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C ZINC000342144300 321075636 /nfs/dbraw/zinc/07/56/36/321075636.db2.gz ZFBCKGUMHQFERX-LLVKDONJSA-N 1 0 338.364 0.189 20 5 ECBDRO C[C@@](CO)([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(O)c1 ZINC000347724730 321248753 /nfs/dbraw/zinc/24/87/53/321248753.db2.gz VENAVDSMXGADBE-GJZGRUSLSA-N 1 0 336.348 0.355 20 5 ECBDRO NC(=O)CCC1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000347949628 321258343 /nfs/dbraw/zinc/25/83/43/321258343.db2.gz OAABHBGXRSKXLN-ZDUSSCGKSA-N 1 0 325.369 0.130 20 5 ECBDRO COc1ccc(C[NH2+]C[C@@H]2CS(=O)(=O)CCO2)cc1[N+](=O)[O-] ZINC000350750690 321329349 /nfs/dbraw/zinc/32/93/49/321329349.db2.gz WZOJYPXHYPTRMR-LLVKDONJSA-N 1 0 330.362 0.507 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CCN(CC)C[C@H]2C)c([N+](=O)[O-])n1 ZINC000352626733 321367311 /nfs/dbraw/zinc/36/73/11/321367311.db2.gz PRUMSEPARVTFAK-SNVBAGLBSA-N 1 0 331.398 0.526 20 5 ECBDRO CC[NH+]1CCN([C@H]2CCN(c3ncc([N+](=O)[O-])cc3C(N)=O)C2)CC1 ZINC000358894912 321579932 /nfs/dbraw/zinc/57/99/32/321579932.db2.gz LEPBRTGNXGWICU-LBPRGKRZSA-N 1 0 348.407 0.305 20 5 ECBDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000533569503 322071309 /nfs/dbraw/zinc/07/13/09/322071309.db2.gz TXNBWRPLAPHCFG-OAHLLOKOSA-N 1 0 339.348 0.408 20 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ZINC000566230911 322515898 /nfs/dbraw/zinc/51/58/98/322515898.db2.gz GKMYBIZRTVDKET-GOEBONIOSA-N 1 0 334.376 0.654 20 5 ECBDRO COc1cccc(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000567816901 322599084 /nfs/dbraw/zinc/59/90/84/322599084.db2.gz ZDCQJQQLMMCHPW-GFCCVEGCSA-N 1 0 334.376 0.723 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CC[C@@H](CO)O2)cc1 ZINC000569243628 322648287 /nfs/dbraw/zinc/64/82/87/322648287.db2.gz KSUZOURMGGEDDX-OLZOCXBDSA-N 1 0 344.389 0.498 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000569579955 322658316 /nfs/dbraw/zinc/65/83/16/322658316.db2.gz QSRGYJLIZUTLCI-LBPRGKRZSA-N 1 0 334.376 0.717 20 5 ECBDRO [NH3+][C@H]1C[C@@H]2CN(C(=O)NCc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000571300021 322717127 /nfs/dbraw/zinc/71/71/27/322717127.db2.gz UWRPWUAOGHZOIR-OLZOCXBDSA-N 1 0 333.348 0.048 20 5 ECBDRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000571669787 322729680 /nfs/dbraw/zinc/72/96/80/322729680.db2.gz UBAWPRJURNAZNO-LBPRGKRZSA-N 1 0 346.387 0.677 20 5 ECBDRO COc1cccc(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000573680659 322765826 /nfs/dbraw/zinc/76/58/26/322765826.db2.gz ASTQROGYKUJIRR-LBPRGKRZSA-N 1 0 334.376 0.723 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCN1CCCOCC1 ZINC000575862843 322797335 /nfs/dbraw/zinc/79/73/35/322797335.db2.gz TZLJQHZAQHZACT-AWEZNQCLSA-N 1 0 339.392 0.646 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H](O)CCc2ccccc2)c1 ZINC000576108269 322801749 /nfs/dbraw/zinc/80/17/49/322801749.db2.gz UUDKSQAONWPMIE-HZPDHXFCSA-N 1 0 334.376 0.736 20 5 ECBDRO O=C1[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1c1ccccc1 ZINC000577216516 322828867 /nfs/dbraw/zinc/82/88/67/322828867.db2.gz NVOHNLWWLZOAFN-HUUCEWRRSA-N 1 0 345.359 0.547 20 5 ECBDRO C[C@H](NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000579573008 322900617 /nfs/dbraw/zinc/90/06/17/322900617.db2.gz ZJWCZMGPZADMEJ-NWDGAFQWSA-N 1 0 334.376 0.969 20 5 ECBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)C2)CC1 ZINC000193559348 535734731 /nfs/dbraw/zinc/73/47/31/535734731.db2.gz PHBCBNCTYCWPJV-CYBMUJFWSA-N 1 0 349.391 0.547 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000420405248 546211884 /nfs/dbraw/zinc/21/18/84/546211884.db2.gz OQRGHHFHKOWEDH-QMMMGPOBSA-N 1 0 329.334 0.022 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000619253615 546311379 /nfs/dbraw/zinc/31/13/79/546311379.db2.gz BEJNFIIMNVMIJW-AWEZNQCLSA-N 1 0 325.369 0.015 20 5 ECBDRO CC(C)[N@@H+]1CCO[C@H](COC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000753951604 579409823 /nfs/dbraw/zinc/40/98/23/579409823.db2.gz XOJFEKAMTIIAOT-ZDUSSCGKSA-N 1 0 326.353 0.834 20 5 ECBDRO C[NH+](C)CCCOC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000727864826 578285848 /nfs/dbraw/zinc/28/58/48/578285848.db2.gz FKBJMSVCZIXBFZ-UHFFFAOYSA-N 1 0 337.332 0.815 20 5 ECBDRO CS(=O)(=O)c1ccc(N2CCC([NH3+])(CO)CC2)c([N+](=O)[O-])c1 ZINC000733896061 578349076 /nfs/dbraw/zinc/34/90/76/578349076.db2.gz ZVVFHFDGJASFHS-UHFFFAOYSA-N 1 0 329.378 0.288 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C(=O)NCCO)CC1 ZINC000797517650 578634319 /nfs/dbraw/zinc/63/43/19/578634319.db2.gz PTGHXENMFGKPQP-UHFFFAOYSA-N 1 0 337.376 0.924 20 5 ECBDRO COc1ccccc1[C@H](O)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000743260347 579796091 /nfs/dbraw/zinc/79/60/91/579796091.db2.gz BJJATHXTVXYHPU-TZMCWYRMSA-N 1 0 336.348 0.484 20 5 ECBDRO O=C(NCCO)C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000743274343 579796251 /nfs/dbraw/zinc/79/62/51/579796251.db2.gz YTEGFMPLQAVHLN-UHFFFAOYSA-N 1 0 337.376 0.794 20 5 ECBDRO COc1cc(S(=O)(=O)N2CC[NH2+]CC2(C)C)ccc1[N+](=O)[O-] ZINC000842729404 589034224 /nfs/dbraw/zinc/03/42/24/589034224.db2.gz KSFKDLROBCZLSC-UHFFFAOYSA-N 1 0 329.378 0.976 20 5 ECBDRO C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCN1C ZINC000896579626 586259865 /nfs/dbraw/zinc/25/98/65/586259865.db2.gz HRFVYYYVKJKHLB-SWLSCSKDSA-N 1 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COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@]1(CO)COCCN1C ZINC000903280209 586774646 /nfs/dbraw/zinc/77/46/46/586774646.db2.gz UAVIXOMBFVEQMJ-LRDDRELGSA-N 1 0 339.392 0.947 20 5 ECBDRO COCC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000843452676 589067601 /nfs/dbraw/zinc/06/76/01/589067601.db2.gz MRNPHDIJCUMFHO-UHFFFAOYSA-N 1 0 326.309 0.777 20 5 ECBDRO C[NH+]1CCN(C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c2ccccc2)CC1 ZINC000839639687 586886371 /nfs/dbraw/zinc/88/63/71/586886371.db2.gz CFFAZUWEMLDDDY-BZUAXINKSA-N 1 0 332.404 0.757 20 5 ECBDRO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839715151 586890070 /nfs/dbraw/zinc/89/00/70/586890070.db2.gz OEWPLJZHFWZZGP-BFHYXJOUSA-N 1 0 341.408 0.918 20 5 ECBDRO COc1cc(S(=O)(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000813742056 587261341 /nfs/dbraw/zinc/26/13/41/587261341.db2.gz XXWXSSVCRRTWQX-ZWNOBZJWSA-N 1 0 341.389 0.928 20 5 ECBDRO CS(=O)(=O)N1CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818947570 587461828 /nfs/dbraw/zinc/46/18/28/587461828.db2.gz GHYDVLPUQVUPOP-CQSZACIVSA-N 1 0 343.405 0.642 20 5 ECBDRO CS(=O)(=O)N1CCC[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818976634 587462969 /nfs/dbraw/zinc/46/29/69/587462969.db2.gz LHQVNRBUIWQAOO-OCCSQVGLSA-N 1 0 343.405 0.642 20 5 ECBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]C[C@@H](O)C1CC1 ZINC000819081235 587467212 /nfs/dbraw/zinc/46/72/12/587467212.db2.gz JZGJVDQHHINLRG-GFCCVEGCSA-N 1 0 329.378 0.234 20 5 ECBDRO Cn1ncc(CCC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000819331487 587476875 /nfs/dbraw/zinc/47/68/75/587476875.db2.gz VMRZPDJRMIXAFQ-ZDUSSCGKSA-N 1 0 335.364 0.685 20 5 ECBDRO O=C(Cc1noc(C[C@H]2CC[NH2+]C2)n1)NCc1ccc([N+](=O)[O-])cc1 ZINC000823115035 587703213 /nfs/dbraw/zinc/70/32/13/587703213.db2.gz HLWWDZMBOMBALR-GFCCVEGCSA-N 1 0 345.359 0.989 20 5 ECBDRO O=C1c2ccc([N+](=O)[O-])cc2S(=O)(=O)N1CC[C@H]1CC[NH2+]C1 ZINC000830414687 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C[C@H]([NH3+])CN(C)C(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000863752348 590034045 /nfs/dbraw/zinc/03/40/45/590034045.db2.gz ROBJUKGMUFVXEJ-NSHDSACASA-N 1 0 334.376 0.891 20 5 ECBDRO C[C@@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000119836968 590053724 /nfs/dbraw/zinc/05/37/24/590053724.db2.gz WIZOBJJENDAFNU-JTQLQIEISA-N 1 0 348.450 0.571 20 5 ECBDRO C[C@]12C[NH2+]C[C@H]1CN(S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000871812829 590089121 /nfs/dbraw/zinc/08/91/21/590089121.db2.gz LGPKDNJMPNSMLV-GXTWGEPZSA-N 1 0 325.390 0.966 20 5 ECBDRO Cc1nonc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589438 611356508 /nfs/dbraw/zinc/35/65/08/611356508.db2.gz ZHYIQATVERSEEI-QVHKTLOISA-N 1 0 349.391 0.714 20 5 ECBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928092206 611672804 /nfs/dbraw/zinc/67/28/04/611672804.db2.gz GZFCXPCXQANSBB-MNOVXSKESA-N 1 0 325.394 0.487 20 5 ECBDRO C[N@@H+]1CC[C@H]1CNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 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CC(C)N(C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCCC1 ZINC001126936476 756761218 /nfs/dbraw/zinc/76/12/18/756761218.db2.gz JYQHWTBOLQQCGO-ZIAGYGMSSA-N 1 0 340.424 0.537 20 5 ECBDRO Cc1cc(C)n(CC[N@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)n1 ZINC001048814718 757082644 /nfs/dbraw/zinc/08/26/44/757082644.db2.gz ZPGYEBHSWKODSA-QKPAOTATSA-N 1 0 347.419 0.555 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1CCN(C(=O)c2ncc[nH]2)CC1 ZINC000996363960 757422440 /nfs/dbraw/zinc/42/24/40/757422440.db2.gz PKZUZHKIIWUQDF-UHFFFAOYSA-N 1 0 333.352 0.446 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)Cc2ccon2)C1 ZINC001021908707 758045428 /nfs/dbraw/zinc/04/54/28/758045428.db2.gz APMIYAARSWCVTB-PHIMTYICSA-N 1 0 334.336 0.296 20 5 ECBDRO Cn1c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nc2ccccc21 ZINC001022064167 758227705 /nfs/dbraw/zinc/22/77/05/758227705.db2.gz YZVQLSCOEYQPRT-NWJSVONSSA-N 1 0 343.387 0.975 20 5 ECBDRO CC(C)(C)n1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1 ZINC001022064122 758227883 /nfs/dbraw/zinc/22/78/83/758227883.db2.gz XCCIOAIUMMHUAK-LYIQGSDWSA-N 1 0 336.396 0.435 20 5 ECBDRO Cc1cncn1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001022437581 758726861 /nfs/dbraw/zinc/72/68/61/758726861.db2.gz RDSKGZNBINXVNN-TXEJJXNPSA-N 1 0 347.379 0.270 20 5 ECBDRO CCc1ncoc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001022683531 758996025 /nfs/dbraw/zinc/99/60/25/758996025.db2.gz CTZYEWSDBCWLLV-AOOOYVTPSA-N 1 0 348.363 0.929 20 5 ECBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1cccn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048525079 760662406 /nfs/dbraw/zinc/66/24/06/760662406.db2.gz JYZDIHKKLOUQHL-YIDVYQOGSA-N 1 0 347.419 0.908 20 5 ECBDRO Cc1c(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)ccc2c[nH+]cn21 ZINC000995011065 767412101 /nfs/dbraw/zinc/41/21/01/767412101.db2.gz FKEAKGWGZUJFTI-ZIAGYGMSSA-N 1 0 343.343 0.249 20 5 ECBDRO CCN(CCNc1ncc([N+](=O)[O-])c(N)n1)C(=O)C[NH+](CC)CC ZINC001106775817 768928392 /nfs/dbraw/zinc/92/83/92/768928392.db2.gz GTLGBFOZVCCRSZ-UHFFFAOYSA-N 1 0 339.400 0.569 20 5 ECBDRO O=C(Cn1ncnn1)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001020156294 772226398 /nfs/dbraw/zinc/22/63/98/772226398.db2.gz FPPRKKXNLQXSLQ-MGCOHNPYSA-N 1 0 337.365 0.080 20 5 ECBDRO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001045436251 775609860 /nfs/dbraw/zinc/60/98/60/775609860.db2.gz OADLHDVQCIDHHR-CHWSQXEVSA-N 1 0 338.408 0.245 20 5 ECBDRO Cn1cncc1C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001040699409 783295324 /nfs/dbraw/zinc/29/53/24/783295324.db2.gz CLCHKPNJFUMYPX-HUUCEWRRSA-N 1 0 347.419 0.900 20 5 ECBDRO NC(=O)C(=O)N1CCC2(C1)CC[NH+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC001040828628 783521820 /nfs/dbraw/zinc/52/18/20/783521820.db2.gz OGKFHDHWEQDIFM-UHFFFAOYSA-N 1 0 346.387 0.895 20 5 ECBDRO O=C(NCC1=CC[NH2+]CC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000427603735 210209152 /nfs/dbraw/zinc/20/91/52/210209152.db2.gz WLGNOFSYTMHYJQ-GFCCVEGCSA-N 1 0 348.359 0.828 20 5 ECBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000153514825 530053185 /nfs/dbraw/zinc/05/31/85/530053185.db2.gz FIRLNUYFTGZYSP-LBPRGKRZSA-N 1 0 336.396 0.560 20 5 ECBDRO COc1c(F)cc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1[N+](=O)[O-] ZINC000420423270 209363859 /nfs/dbraw/zinc/36/38/59/209363859.db2.gz GVJVCXYCDDEANI-XVKPBYJWSA-N 1 0 333.341 0.853 20 5 ECBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000420173565 209330603 /nfs/dbraw/zinc/33/06/03/209330603.db2.gz VMFHDPQVIMIDPP-DOMZBBRYSA-N 1 0 348.403 0.852 20 5 ECBDRO C[NH+](C)CCOc1cc(CNC(=O)Cn2ccc([N+](=O)[O-])n2)ccn1 ZINC000124005205 201094726 /nfs/dbraw/zinc/09/47/26/201094726.db2.gz SJYOGHZTIAFNRM-UHFFFAOYSA-N 1 0 348.363 0.443 20 5 ECBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000420032546 209283156 /nfs/dbraw/zinc/28/31/56/209283156.db2.gz GKVUQPNUEIPSDO-UKRRQHHQSA-N 1 0 348.403 0.839 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248613133 201179736 /nfs/dbraw/zinc/17/97/36/201179736.db2.gz LKNJIRVSKBDQBF-DLOVCJGASA-N 1 0 341.389 0.961 20 5 ECBDRO COc1c(F)cc(S(=O)(=O)NC[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000193315109 240102370 /nfs/dbraw/zinc/10/23/70/240102370.db2.gz YVQZCBHGWQGVIP-SNVBAGLBSA-N 1 0 333.341 0.758 20 5 ECBDRO COCC[NH2+]CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000193362455 240133469 /nfs/dbraw/zinc/13/34/69/240133469.db2.gz MGFHEYMERLLUAY-UHFFFAOYSA-N 1 0 337.785 0.763 20 5 ECBDRO CN(C)CC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000356428789 299387407 /nfs/dbraw/zinc/38/74/07/299387407.db2.gz PNMVADJZSRXOBL-UHFFFAOYSA-N 1 0 338.412 0.332 20 5 ECBDRO Cn1cnnc1Sc1ccc(C(=O)N[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000126166056 205043802 /nfs/dbraw/zinc/04/38/02/205043802.db2.gz XSJQHKPLHBYJAJ-SNVBAGLBSA-N 1 0 348.388 0.966 20 5 ECBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 ZINC000151029246 205604079 /nfs/dbraw/zinc/60/40/79/205604079.db2.gz AMJJUOBSUVONRY-LLVKDONJSA-N 1 0 341.389 0.822 20 5 ECBDRO C[C@H]([NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000451102893 211360457 /nfs/dbraw/zinc/36/04/57/211360457.db2.gz FSPWICNFTXFGLS-WCQYABFASA-N 1 0 334.376 0.969 20 5 ECBDRO CC[C@@H]([NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)C(=O)NC ZINC000449780803 211297365 /nfs/dbraw/zinc/29/73/65/211297365.db2.gz VUYKOTVXGXHDJA-LLVKDONJSA-N 1 0 339.348 0.761 20 5 ECBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000449702176 211292882 /nfs/dbraw/zinc/29/28/82/211292882.db2.gz RWIIYEMFGRHGLM-CQSZACIVSA-N 1 0 347.419 0.828 20 5 ECBDRO Cc1cc(=O)c(C(=O)N[C@@H](C)[C@@H](C)[NH3+])nn1-c1ccccc1[N+](=O)[O-] ZINC000449586353 211284554 /nfs/dbraw/zinc/28/45/54/211284554.db2.gz FYTXZVRDKSISQB-MNOVXSKESA-N 1 0 345.359 0.915 20 5 ECBDRO O=C(NCc1ccccc1[N+](=O)[O-])c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000449198083 211277382 /nfs/dbraw/zinc/27/73/82/211277382.db2.gz ZRZKMEDVCCQEHN-GFCCVEGCSA-N 1 0 330.348 0.868 20 5 ECBDRO O=C(C[NH2+][C@@H](CO)[C@H]1CCCO1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000447919539 211218034 /nfs/dbraw/zinc/21/80/34/211218034.db2.gz FHKBOUMHULZVPM-DZGCQCFKSA-N 1 0 335.360 0.613 20 5 ECBDRO CC[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@@H+]1C[C@@H](C)O ZINC000174593688 207035097 /nfs/dbraw/zinc/03/50/97/207035097.db2.gz HQBGIVWQFMQFPW-VXGBXAGGSA-N 1 0 325.369 0.095 20 5 ECBDRO COC[C@@](C)(CCO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000267486128 251102130 /nfs/dbraw/zinc/10/21/30/251102130.db2.gz VBUFWHFUUQSQDI-OAHLLOKOSA-N 1 0 341.364 0.919 20 5 ECBDRO C[NH+](C)CCOC1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000357259112 299550665 /nfs/dbraw/zinc/55/06/65/299550665.db2.gz FRERTGIMCYBPOO-UHFFFAOYSA-N 1 0 337.380 0.636 20 5 ECBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000430652437 210396040 /nfs/dbraw/zinc/39/60/40/210396040.db2.gz XKDDRPIRAVKHDA-LBPRGKRZSA-N 1 0 349.391 0.285 20 5 ECBDRO COc1ccc(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000415767928 208576603 /nfs/dbraw/zinc/57/66/03/208576603.db2.gz NKHSLSNVSAPEDD-PWSUYJOCSA-N 1 0 348.359 0.752 20 5 ECBDRO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC[NH2+]1 ZINC000429357237 210313976 /nfs/dbraw/zinc/31/39/76/210313976.db2.gz VQQFVVAAOZKJBG-MNOVXSKESA-N 1 0 336.348 0.613 20 5 ECBDRO CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000429181319 210303956 /nfs/dbraw/zinc/30/39/56/210303956.db2.gz ABYAWTIERQPTGB-MNOVXSKESA-N 1 0 338.364 0.892 20 5 ECBDRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000419153724 209002905 /nfs/dbraw/zinc/00/29/05/209002905.db2.gz QBXVRTJTVUNUFY-AVGNSLFASA-N 1 0 346.387 0.840 20 5 ECBDRO Cc1c(C(=O)NCC(C)(C)[NH3+])cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000269199112 255543790 /nfs/dbraw/zinc/54/37/90/255543790.db2.gz WNBGAROUPFWFID-UHFFFAOYSA-N 1 0 330.366 0.018 20 5 ECBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000419268923 209046749 /nfs/dbraw/zinc/04/67/49/209046749.db2.gz LFRNOKKIEOULIO-VXGBXAGGSA-N 1 0 334.376 0.901 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])n1 ZINC000357715888 299618838 /nfs/dbraw/zinc/61/88/38/299618838.db2.gz YMQKULBZXLYCRN-NXEZZACHSA-N 1 0 329.382 0.041 20 5 ECBDRO CO[C@@H]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000261910876 285717888 /nfs/dbraw/zinc/71/78/88/285717888.db2.gz QEWDZCZGMBNFLI-NXEZZACHSA-N 1 0 347.368 0.861 20 5 ECBDRO [NH3+]C[C@@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000358130904 299692101 /nfs/dbraw/zinc/69/21/01/299692101.db2.gz WSLRCEMQOMTPPG-SNVBAGLBSA-N 1 0 328.756 0.846 20 5 ECBDRO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000248957560 165191635 /nfs/dbraw/zinc/19/16/35/165191635.db2.gz ATYVCLHCGGGASB-KGYLQXTDSA-N 1 0 326.353 0.283 20 5 ECBDRO C[NH2+][C@@H]1CCCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000261691940 165226819 /nfs/dbraw/zinc/22/68/19/165226819.db2.gz FFZCQIFOJDZNBI-SNVBAGLBSA-N 1 0 336.348 0.946 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000261975646 165270992 /nfs/dbraw/zinc/27/09/92/165270992.db2.gz QOOVWMMYSCGYHM-JTQLQIEISA-N 1 0 329.378 0.881 20 5 ECBDRO COc1ccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000261983480 165272606 /nfs/dbraw/zinc/27/26/06/165272606.db2.gz APZJNUKRSWCVLJ-LBPRGKRZSA-N 1 0 329.378 0.961 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000262097575 165290574 /nfs/dbraw/zinc/29/05/74/165290574.db2.gz ILKZPCMBBPHGRN-MWLCHTKSSA-N 1 0 329.378 0.961 20 5 ECBDRO COC[C@@]1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000262515329 165357589 /nfs/dbraw/zinc/35/75/89/165357589.db2.gz NJZJRJXODZPVGX-ZDUSSCGKSA-N 1 0 329.378 0.642 20 5 ECBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCC[C@H]1CC[NH2+]C1 ZINC000262581845 165364382 /nfs/dbraw/zinc/36/43/82/165364382.db2.gz MHPIRXOCRSBZGP-LLVKDONJSA-N 1 0 348.359 0.436 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000262737732 165379155 /nfs/dbraw/zinc/37/91/55/165379155.db2.gz AZKJKXAMKQZBCL-GXSJLCMTSA-N 1 0 329.378 0.880 20 5 ECBDRO O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NC1CC[NH2+]CC1)OCCO2 ZINC000262741531 165380232 /nfs/dbraw/zinc/38/02/32/165380232.db2.gz JGLFYRCBXKXKLH-UHFFFAOYSA-N 1 0 343.361 0.396 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000237620939 263174053 /nfs/dbraw/zinc/17/40/53/263174053.db2.gz VYLNQDKALZIWKA-NWDGAFQWSA-N 1 0 334.376 0.910 20 5 ECBDRO CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC(C)(CO)CO ZINC000269702916 263198382 /nfs/dbraw/zinc/19/83/82/263198382.db2.gz MPUJUGDYGYNGNN-UHFFFAOYSA-N 1 0 326.349 0.884 20 5 ECBDRO COC(=O)C1CC[NH+](CCCNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000270688506 263263146 /nfs/dbraw/zinc/26/31/46/263263146.db2.gz GVBDYITVPNGVDW-UHFFFAOYSA-N 1 0 339.352 0.323 20 5 ECBDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000270731034 263267292 /nfs/dbraw/zinc/26/72/92/263267292.db2.gz CJXYTZFQUKCDCO-PHIMTYICSA-N 1 0 325.369 0.557 20 5 ECBDRO NC(=O)c1ccc(SCC(=O)NC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000273061003 263391389 /nfs/dbraw/zinc/39/13/89/263391389.db2.gz STUKJEYNERPHEF-VIFPVBQESA-N 1 0 338.389 0.512 20 5 ECBDRO CNC(=O)c1ccc(N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000284556059 264226820 /nfs/dbraw/zinc/22/68/20/264226820.db2.gz MXLPESSMARFMQY-GJZGRUSLSA-N 1 0 334.376 0.864 20 5 ECBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)[C@H]2C1 ZINC000284852262 264245860 /nfs/dbraw/zinc/24/58/60/264245860.db2.gz CYELUMFDRSPKBW-STQMWFEESA-N 1 0 338.339 0.861 20 5 ECBDRO NC(=O)NC(=O)CCCN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298053110 265220244 /nfs/dbraw/zinc/22/02/44/265220244.db2.gz IZWHGTKYQXGQEC-UHFFFAOYSA-N 1 0 336.352 0.087 20 5 ECBDRO Cc1cc(NC(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000298844632 265288569 /nfs/dbraw/zinc/28/85/69/265288569.db2.gz IEYLMNIOPURSKS-TXEJJXNPSA-N 1 0 332.360 0.862 20 5 ECBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1 ZINC000424224285 277430880 /nfs/dbraw/zinc/43/08/80/277430880.db2.gz JRUCAIFTBMZYSC-UONOGXRCSA-N 1 0 345.359 0.904 20 5 ECBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000238003157 280192361 /nfs/dbraw/zinc/19/23/61/280192361.db2.gz LSLBUSSOXWRGRV-SNVBAGLBSA-N 1 0 338.389 0.693 20 5 ECBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@H]2CCNC2=O)c([N+](=O)[O-])c1 ZINC000340223477 437610490 /nfs/dbraw/zinc/61/04/90/437610490.db2.gz VNTPCGYCGDQNSM-LBPRGKRZSA-N 1 0 336.348 0.752 20 5 ECBDRO COc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000262079210 295196471 /nfs/dbraw/zinc/19/64/71/295196471.db2.gz GWRCCUSDGNNCGJ-VHSXEESVSA-N 1 0 329.378 0.961 20 5 ECBDRO 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C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000178970610 437244279 /nfs/dbraw/zinc/24/42/79/437244279.db2.gz KBPCLZYWIZKIDY-VXGBXAGGSA-N 1 0 334.376 0.781 20 5 ECBDRO NC(=O)NC1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000266882587 437259331 /nfs/dbraw/zinc/25/93/31/437259331.db2.gz XYGDPJHBYGOYBG-CYBMUJFWSA-N 1 0 338.364 0.467 20 5 ECBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000288417530 437320406 /nfs/dbraw/zinc/32/04/06/437320406.db2.gz GXYSLZLTSUZFOB-CYBMUJFWSA-N 1 0 337.376 0.937 20 5 ECBDRO CCc1n[nH]c(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000267937146 437345165 /nfs/dbraw/zinc/34/51/65/437345165.db2.gz GTDFRWLAUDJFHV-LLVKDONJSA-N 1 0 337.380 0.675 20 5 ECBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000267959615 437346819 /nfs/dbraw/zinc/34/68/19/437346819.db2.gz CCCLEALHMHQJJI-OAHLLOKOSA-N 1 0 348.403 0.983 20 5 ECBDRO Cc1n[nH]c(C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000278970492 437360833 /nfs/dbraw/zinc/36/08/33/437360833.db2.gz CIPASPFLGOPPER-SNVBAGLBSA-N 1 0 337.380 0.952 20 5 ECBDRO CC(C)[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000269060067 437449836 /nfs/dbraw/zinc/44/98/36/437449836.db2.gz JOPDPKUNRHVVRC-CQSZACIVSA-N 1 0 334.376 0.863 20 5 ECBDRO Cc1c(C(=O)N2CCC[C@@H]2C[NH3+])cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000269190515 437464891 /nfs/dbraw/zinc/46/48/91/437464891.db2.gz IQXHFLNHMQODKQ-SECBINFHSA-N 1 0 342.377 0.114 20 5 ECBDRO CCCc1[nH]nc(C(=O)N2CCN(CCO)[C@H](C)C2)c1[N+](=O)[O-] ZINC000187255712 437496235 /nfs/dbraw/zinc/49/62/35/437496235.db2.gz XOELWCOJURBXTR-SNVBAGLBSA-N 1 0 325.369 0.409 20 5 ECBDRO CC[N@H+](C)CCNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000354020782 437507899 /nfs/dbraw/zinc/50/78/99/437507899.db2.gz UMYLMQJMYGGBCO-UHFFFAOYSA-N 1 0 337.380 0.462 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN1CCCOCC1 ZINC000189083922 437582043 /nfs/dbraw/zinc/58/20/43/437582043.db2.gz XKKXZDMAHIGLEV-UHFFFAOYSA-N 1 0 343.405 0.904 20 5 ECBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000356465750 437767744 /nfs/dbraw/zinc/76/77/44/437767744.db2.gz ZCCANKOOONFSFI-LLVKDONJSA-N 1 0 325.369 0.511 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000415579708 437825370 /nfs/dbraw/zinc/82/53/70/437825370.db2.gz QMVLFEGDRNABSU-VHSXEESVSA-N 1 0 336.348 0.738 20 5 ECBDRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000423643307 437788933 /nfs/dbraw/zinc/78/89/33/437788933.db2.gz XMGMTWFZEFDFFC-VXGBXAGGSA-N 1 0 334.376 0.762 20 5 ECBDRO C[C@H]1CN(C(=O)C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000423656920 437793602 /nfs/dbraw/zinc/79/36/02/437793602.db2.gz UYJMFYNGBUAKRK-STQMWFEESA-N 1 0 348.403 0.805 20 5 ECBDRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000364938009 437829293 /nfs/dbraw/zinc/82/92/93/437829293.db2.gz SKGTVXVHOMWOJK-ZDUSSCGKSA-N 1 0 337.376 0.889 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423957544 437867337 /nfs/dbraw/zinc/86/73/37/437867337.db2.gz APOGPKMCGOMRLS-UONOGXRCSA-N 1 0 329.360 0.972 20 5 ECBDRO CC(C)c1n[nH]c(C(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000347098156 437832546 /nfs/dbraw/zinc/83/25/46/437832546.db2.gz LKHFOBWIVBEIEB-NSHDSACASA-N 1 0 339.396 0.970 20 5 ECBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000424036409 437880272 /nfs/dbraw/zinc/88/02/72/437880272.db2.gz DZXQTBNXLKMXMS-MRXNPFEDSA-N 1 0 348.403 0.993 20 5 ECBDRO [NH3+]CCC(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000423901609 437850196 /nfs/dbraw/zinc/85/01/96/437850196.db2.gz NWCMPOVOMFXMKA-UHFFFAOYSA-N 1 0 332.364 0.859 20 5 ECBDRO [NH3+][C@@H]1C[C@@H]1C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000424196519 437901645 /nfs/dbraw/zinc/90/16/45/437901645.db2.gz ZVPLCMGVMYLQRW-NWDGAFQWSA-N 1 0 344.375 0.857 20 5 ECBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000371268330 437909191 /nfs/dbraw/zinc/90/91/91/437909191.db2.gz JDTHBSNMEOAOIH-CYBMUJFWSA-N 1 0 330.348 0.800 20 5 ECBDRO COc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000416492645 437943843 /nfs/dbraw/zinc/94/38/43/437943843.db2.gz AQJCJVJEXFPSMK-SNVBAGLBSA-N 1 0 329.378 0.833 20 5 ECBDRO C[N@H+](C[C@@H](O)COc1ccc([N+](=O)[O-])cc1-n1cnnn1)C1CC1 ZINC000357444150 437990764 /nfs/dbraw/zinc/99/07/64/437990764.db2.gz XLMFGINPVOVZLY-GFCCVEGCSA-N 1 0 334.336 0.404 20 5 ECBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000348284257 438041473 /nfs/dbraw/zinc/04/14/73/438041473.db2.gz PNCYVKHDNWJIPU-GDBMZVCRSA-N 1 0 337.424 0.816 20 5 ECBDRO CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000348001917 437997302 /nfs/dbraw/zinc/99/73/02/437997302.db2.gz DSWHNWXIFBARPS-VXGBXAGGSA-N 1 0 337.380 0.654 20 5 ECBDRO CNC(=O)N[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000342362286 438012035 /nfs/dbraw/zinc/01/20/35/438012035.db2.gz ZTXHYEYFLVGGOG-LBPRGKRZSA-N 1 0 335.364 0.927 20 5 ECBDRO Cc1nn(C)c(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1[N+](=O)[O-] ZINC000342952093 438092672 /nfs/dbraw/zinc/09/26/72/438092672.db2.gz VPHSAWCLADEFHU-LBPRGKRZSA-N 1 0 339.396 0.603 20 5 ECBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000418780543 438188755 /nfs/dbraw/zinc/18/87/55/438188755.db2.gz KWNGBYAOOZMHRD-MDZLAQPJSA-N 1 0 334.376 0.968 20 5 ECBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000367073901 438163606 /nfs/dbraw/zinc/16/36/06/438163606.db2.gz MQPSPQJSHYFIAY-ONGXEEELSA-N 1 0 347.368 0.924 20 5 ECBDRO [NH3+]C[C@H](NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000418917396 438247561 /nfs/dbraw/zinc/24/75/61/438247561.db2.gz AYXXWZKHOWIFMW-HNNXBMFYSA-N 1 0 348.403 0.887 20 5 ECBDRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000358510211 438240787 /nfs/dbraw/zinc/24/07/87/438240787.db2.gz ISTUVJKYBHVBKR-UHFFFAOYSA-N 1 0 346.347 0.591 20 5 ECBDRO C[NH2+][C@H]1CCN(C(=O)C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000418945650 438259769 /nfs/dbraw/zinc/25/97/69/438259769.db2.gz NDAXNMHAJUCOOQ-NSHDSACASA-N 1 0 336.348 0.040 20 5 ECBDRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000351546223 438285073 /nfs/dbraw/zinc/28/50/73/438285073.db2.gz YLMWWLHVDITSOA-OAHLLOKOSA-N 1 0 348.403 0.902 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351554277 438286059 /nfs/dbraw/zinc/28/60/59/438286059.db2.gz HQIXRSXLFAYIAI-LBPRGKRZSA-N 1 0 336.348 0.088 20 5 ECBDRO C[NH+]1C[C@@H]2CN(C(=O)C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000351566304 438289825 /nfs/dbraw/zinc/28/98/25/438289825.db2.gz DPOCBAPUHDEHHT-NXEZZACHSA-N 1 0 336.323 0.692 20 5 ECBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)NCCc3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000418922969 438250889 /nfs/dbraw/zinc/25/08/89/438250889.db2.gz LOXGYFWLAJFZPT-BPLDGKMQSA-N 1 0 346.387 0.449 20 5 ECBDRO O=C(NC1CC1)[C@H](O)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000434713151 438319122 /nfs/dbraw/zinc/31/91/22/438319122.db2.gz YKJANDLYQYQSKT-CQSZACIVSA-N 1 0 337.380 0.143 20 5 ECBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000368486830 438336866 /nfs/dbraw/zinc/33/68/66/438336866.db2.gz DRGLOYQGUSJZEX-INIZCTEOSA-N 1 0 332.404 0.986 20 5 ECBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000368859104 438392391 /nfs/dbraw/zinc/39/23/91/438392391.db2.gz FHBYLGPPEDOLSY-UKRRQHHQSA-N 1 0 335.360 0.953 20 5 ECBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000368859102 438393639 /nfs/dbraw/zinc/39/36/39/438393639.db2.gz FHBYLGPPEDOLSY-DZGCQCFKSA-N 1 0 335.360 0.953 20 5 ECBDRO COc1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000389964539 438430644 /nfs/dbraw/zinc/43/06/44/438430644.db2.gz CAEGWZBBIZRTKP-SNVBAGLBSA-N 1 0 345.377 0.260 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)c([N+](=O)[O-])c1 ZINC000391516131 438440648 /nfs/dbraw/zinc/44/06/48/438440648.db2.gz JAXCOKARDCOOOG-GXFFZTMASA-N 1 0 341.389 0.976 20 5 ECBDRO COC(=O)CC1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000438836010 438486770 /nfs/dbraw/zinc/48/67/70/438486770.db2.gz XWVSDHBPSDINII-ZDUSSCGKSA-N 1 0 326.353 0.427 20 5 ECBDRO CO[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H](C[NH3+])C1 ZINC000440834568 438567027 /nfs/dbraw/zinc/56/70/27/438567027.db2.gz AKEASTQQMQUGNP-DTWKUNHWSA-N 1 0 335.407 0.783 20 5 ECBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[N@H+]1CCCO ZINC000452355899 438654968 /nfs/dbraw/zinc/65/49/68/438654968.db2.gz ZFAYHGIIHIYHIQ-ZDUSSCGKSA-N 1 0 337.376 0.937 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)NC[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000422769533 438606891 /nfs/dbraw/zinc/60/68/91/438606891.db2.gz VALLVVHTOAMXKF-LBPRGKRZSA-N 1 0 334.376 0.749 20 5 ECBDRO COc1ccc(S(=O)(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000451871488 438610299 /nfs/dbraw/zinc/61/02/99/438610299.db2.gz RQHXAJCDUSIHAT-GXFFZTMASA-N 1 0 341.389 0.928 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000423525186 438683112 /nfs/dbraw/zinc/68/31/12/438683112.db2.gz KCJHFCJDNLXBRH-QGZVFWFLSA-N 1 0 346.387 0.845 20 5 ECBDRO CNC(=O)c1ccc(N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000450791590 438692815 /nfs/dbraw/zinc/69/28/15/438692815.db2.gz MOZMGUNDRRQWBW-TXEJJXNPSA-N 1 0 336.392 0.846 20 5 ECBDRO COCC[N@H+](C)C[C@H](O)Cn1cnc2sc([N+](=O)[O-])cc2c1=O ZINC000574771782 438720463 /nfs/dbraw/zinc/72/04/63/438720463.db2.gz WKVBODMFBVDIKU-VIFPVBQESA-N 1 0 342.377 0.305 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000456160048 438759490 /nfs/dbraw/zinc/75/94/90/438759490.db2.gz GGNVDJDUAOWULA-CORIIIEPSA-N 1 0 346.387 0.876 20 5 ECBDRO C[N@@H+]1CCC[C@H](N2CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)CC2)C1 ZINC000587979563 438811683 /nfs/dbraw/zinc/81/16/83/438811683.db2.gz JKHWNGDJXMYRNP-AWEZNQCLSA-N 1 0 349.435 0.886 20 5 ECBDRO O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000515235017 438856960 /nfs/dbraw/zinc/85/69/60/438856960.db2.gz VULKQNBNDVOGCV-ZBFHGGJFSA-N 1 0 346.387 0.971 20 5 ECBDRO CCOc1cc(C(=O)NC[C@@H]2C[NH2+]CCO2)c([N+](=O)[O-])cc1OC ZINC000577721507 438863949 /nfs/dbraw/zinc/86/39/49/438863949.db2.gz MIJAHRFUIQFVFG-JTQLQIEISA-N 1 0 339.348 0.720 20 5 ECBDRO CC(C)NC(=O)[C@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595850811 438871092 /nfs/dbraw/zinc/87/10/92/438871092.db2.gz POUKIECFXJKBEJ-GXTWGEPZSA-N 1 0 339.396 0.389 20 5 ECBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595865134 438872315 /nfs/dbraw/zinc/87/23/15/438872315.db2.gz ZQWBMDCPDHKXND-HNNXBMFYSA-N 1 0 336.392 0.288 20 5 ECBDRO C[NH2+]CCCC(=O)N1CCC(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000595982953 438908001 /nfs/dbraw/zinc/90/80/01/438908001.db2.gz VRJUXYVFBVUYSE-UHFFFAOYSA-N 1 0 337.380 0.643 20 5 ECBDRO C[C@]1(NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000595991019 438910389 /nfs/dbraw/zinc/91/03/89/438910389.db2.gz FTJAVLRGFLMDLR-AWEZNQCLSA-N 1 0 340.767 0.846 20 5 ECBDRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)CCOc2ccccc2[N+](=O)[O-])n1 ZINC000595992969 438910800 /nfs/dbraw/zinc/91/08/00/438910800.db2.gz YWCLQVLPAWPBAP-UHFFFAOYSA-N 1 0 347.331 0.634 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)N[C@@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000596048867 438919445 /nfs/dbraw/zinc/91/94/45/438919445.db2.gz FGOVFAWMOJCPMQ-ZDUSSCGKSA-N 1 0 343.361 0.412 20 5 ECBDRO C[NH+]1CCN(c2ncccc2CNc2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596093819 438925763 /nfs/dbraw/zinc/92/57/63/438925763.db2.gz XSKLFBGKFNSGHN-UHFFFAOYSA-N 1 0 343.391 1.331 20 5 ECBDRO CN1CC[NH+](CC2CN(C(=O)CNc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000590564238 438932138 /nfs/dbraw/zinc/93/21/38/438932138.db2.gz YYAQUFKBOMIILG-UHFFFAOYSA-N 1 0 347.419 0.713 20 5 ECBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596288906 438951237 /nfs/dbraw/zinc/95/12/37/438951237.db2.gz QQWOJNKBFKJJML-SNVBAGLBSA-N 1 0 335.364 0.250 20 5 ECBDRO CNC(=O)c1ccc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c([N+](=O)[O-])c1 ZINC000596537211 438973653 /nfs/dbraw/zinc/97/36/53/438973653.db2.gz CQYBRQSXGOFHDG-AWEZNQCLSA-N 1 0 348.403 0.990 20 5 ECBDRO COC(=O)c1cc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)oc1C ZINC000566107255 439007930 /nfs/dbraw/zinc/00/79/30/439007930.db2.gz HUPYBIGVWOPMGY-NSHDSACASA-N 1 0 338.320 0.630 20 5 ECBDRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000591578163 439023581 /nfs/dbraw/zinc/02/35/81/439023581.db2.gz HABONBRSQVWUAV-KRWDZBQOSA-N 1 0 346.387 0.677 20 5 ECBDRO C[N@@H+]1CC[C@@H](CC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000602158671 439026993 /nfs/dbraw/zinc/02/69/93/439026993.db2.gz OVRNUMHCIKBMOI-ZDUSSCGKSA-N 1 0 333.392 0.980 20 5 ECBDRO Cn1cc(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)c([N+](=O)[O-])n1 ZINC000602457754 439090628 /nfs/dbraw/zinc/09/06/28/439090628.db2.gz CWCNMMDVSMZMNH-UHFFFAOYSA-N 1 0 336.396 0.068 20 5 ECBDRO CN(Cc1ccccc1)C[C@H](O)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000591756739 439080591 /nfs/dbraw/zinc/08/05/91/439080591.db2.gz XMGSZQFXZUNGGF-MRXNPFEDSA-N 1 0 333.392 0.874 20 5 ECBDRO Cn1nc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc21 ZINC000591760166 439081839 /nfs/dbraw/zinc/08/18/39/439081839.db2.gz TXLTZANMKDEROV-GFCCVEGCSA-N 1 0 330.348 0.829 20 5 ECBDRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000597680163 439158145 /nfs/dbraw/zinc/15/81/45/439158145.db2.gz WGIRKOMWYUFRQX-LLVKDONJSA-N 1 0 337.380 0.654 20 5 ECBDRO O=[N+]([O-])c1ccccc1OCCn1cc(CCN2CC[NH2+]CC2)nn1 ZINC000603201495 439207173 /nfs/dbraw/zinc/20/71/73/439207173.db2.gz PLQKHWBLNDQTDZ-UHFFFAOYSA-N 1 0 346.391 0.713 20 5 ECBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](O)Cc1ccccc1 ZINC000592431694 439227594 /nfs/dbraw/zinc/22/75/94/439227594.db2.gz ZVSRKKTULHYSPD-VBNZEHGJSA-N 1 0 334.376 0.734 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1=CC[NH2+]CC1 ZINC000592386823 439215509 /nfs/dbraw/zinc/21/55/09/439215509.db2.gz AKGMQKUOQRIQHK-UHFFFAOYSA-N 1 0 327.362 0.801 20 5 ECBDRO CCOc1ccc(C(=O)N(C)CCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000592468161 439233892 /nfs/dbraw/zinc/23/38/92/439233892.db2.gz GCXIRDOVNVFJBB-UHFFFAOYSA-N 1 0 336.392 0.971 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)CCN1CC[NH2+]CC1 ZINC000592471984 439234023 /nfs/dbraw/zinc/23/40/23/439234023.db2.gz BPTJBSQAIGIYIY-UHFFFAOYSA-N 1 0 335.408 0.679 20 5 ECBDRO C[C@H]([NH3+])[C@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCO1 ZINC000592475504 439236736 /nfs/dbraw/zinc/23/67/36/439236736.db2.gz LQDQGQZCUUQQDP-NILFDRSVSA-N 1 0 334.376 0.748 20 5 ECBDRO CNc1ccc(C(=O)N2CCC[NH2+]C[C@@H]2C(=O)OC)cc1[N+](=O)[O-] ZINC000592550531 439250088 /nfs/dbraw/zinc/25/00/88/439250088.db2.gz SYXLJADBDSNYJB-CYBMUJFWSA-N 1 0 336.348 0.614 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H](O)[C@H]2CCOC2)c1 ZINC000581884489 439260696 /nfs/dbraw/zinc/26/06/96/439260696.db2.gz LLPWPPJRLGHFDS-NJZAAPMLSA-N 1 0 326.349 0.322 20 5 ECBDRO Nc1c(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cccc1[N+](=O)[O-] ZINC000598452280 439264304 /nfs/dbraw/zinc/26/43/04/439264304.db2.gz INGCAMGPXCWUHV-LBPRGKRZSA-N 1 0 334.376 0.848 20 5 ECBDRO C[NH+](C)[C@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@@H]1O ZINC000569258513 439318469 /nfs/dbraw/zinc/31/84/69/439318469.db2.gz TZBQCHHBFAYDFO-GJZGRUSLSA-N 1 0 332.360 0.683 20 5 ECBDRO CCc1ccc(S(=O)(=O)NCC[N@H+](CC)CCO)cc1[N+](=O)[O-] ZINC000568979196 439292975 /nfs/dbraw/zinc/29/29/75/439292975.db2.gz JJDDHCIDZWXNIM-UHFFFAOYSA-N 1 0 345.421 0.750 20 5 ECBDRO Cc1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCO2)c(C)c1[N+](=O)[O-] ZINC000598715768 439308027 /nfs/dbraw/zinc/30/80/27/439308027.db2.gz SZSUIUALDMANIU-NSHDSACASA-N 1 0 329.378 0.478 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC3(CC[NH2+]C3)CC2)n1 ZINC000599108612 439359967 /nfs/dbraw/zinc/35/99/67/439359967.db2.gz OTDSIHVOGSQXNF-UHFFFAOYSA-N 1 0 329.382 0.093 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CCOCC[NH3+] ZINC000599110255 439362495 /nfs/dbraw/zinc/36/24/95/439362495.db2.gz NKIJIQKNYNQYLF-UHFFFAOYSA-N 1 0 333.366 0.199 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]([NH3+])c2ccccc2)n1 ZINC000599097924 439356003 /nfs/dbraw/zinc/35/60/03/439356003.db2.gz MXNMUVQEFPPWFF-JTQLQIEISA-N 1 0 325.350 0.307 20 5 ECBDRO C[NH+](C)CCN1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000593235460 439356341 /nfs/dbraw/zinc/35/63/41/439356341.db2.gz RJPHMIOVZDVBGG-UHFFFAOYSA-N 1 0 334.376 0.370 20 5 ECBDRO [NH3+]C1(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000599103159 439357490 /nfs/dbraw/zinc/35/74/90/439357490.db2.gz PUFQENYFUFZOOH-UHFFFAOYSA-N 1 0 329.378 0.522 20 5 ECBDRO CCc1nn(C)c(OC)c1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000569921554 439373559 /nfs/dbraw/zinc/37/35/59/439373559.db2.gz XTNIQZDXNJEGJZ-NSHDSACASA-N 1 0 338.368 0.247 20 5 ECBDRO C[C@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000599216967 439386151 /nfs/dbraw/zinc/38/61/51/439386151.db2.gz WVWRJZSVYUGISM-WDEREUQCSA-N 1 0 345.425 0.727 20 5 ECBDRO Cc1ccc(C)c(S(=O)(=O)N2CCN(C)C[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC000583325299 439448433 /nfs/dbraw/zinc/44/84/33/439448433.db2.gz HKBKCQZUZVNGSH-LBPRGKRZSA-N 1 0 342.421 0.475 20 5 ECBDRO O=C(NCC[C@H]1CCC[NH2+]1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000571507245 439506507 /nfs/dbraw/zinc/50/65/07/439506507.db2.gz CYVUZEDVJOWFFB-CYBMUJFWSA-N 1 0 348.407 0.964 20 5 ECBDRO Cc1c(CNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000594241612 439530399 /nfs/dbraw/zinc/53/03/99/439530399.db2.gz DWFSFXTXCYBRRC-UONOGXRCSA-N 1 0 334.376 0.864 20 5 ECBDRO [NH3+]CC1(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000599925623 439575327 /nfs/dbraw/zinc/57/53/27/439575327.db2.gz SJMWKDGMSXHVOJ-UHFFFAOYSA-N 1 0 338.364 0.781 20 5 ECBDRO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000572394457 439578766 /nfs/dbraw/zinc/57/87/66/439578766.db2.gz ALKYTSATNFQKBJ-OUCADQQQSA-N 1 0 339.396 0.435 20 5 ECBDRO COc1c(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000599941810 439580391 /nfs/dbraw/zinc/58/03/91/439580391.db2.gz YUZNBKIAMXJMEJ-NEPJUHHUSA-N 1 0 335.360 0.885 20 5 ECBDRO Nc1nccc(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)c1[N+](=O)[O-] ZINC000600007520 439593385 /nfs/dbraw/zinc/59/33/85/439593385.db2.gz ATHFBLLWLMKTSY-UHFFFAOYSA-N 1 0 349.391 0.899 20 5 ECBDRO CC(C)[N@H+](C)C[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000594718214 439594616 /nfs/dbraw/zinc/59/46/16/439594616.db2.gz SVLVQVBEAWYPRS-OAHLLOKOSA-N 1 0 337.424 0.813 20 5 ECBDRO CO[C@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000594717994 439595489 /nfs/dbraw/zinc/59/54/89/439595489.db2.gz JRKZHCCWVXYYKW-XJKCOSOUSA-N 1 0 340.376 0.976 20 5 ECBDRO Cc1cc(C)c(S(=O)(=O)N2CCN(C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000572648840 439598261 /nfs/dbraw/zinc/59/82/61/439598261.db2.gz RVFVLMRZRSMBFB-GFCCVEGCSA-N 1 0 342.421 0.475 20 5 ECBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000572764855 439609270 /nfs/dbraw/zinc/60/92/70/439609270.db2.gz QDWWSNWNIBXJDC-SFYZADRCSA-N 1 0 326.378 0.638 20 5 ECBDRO Cc1ccc(NC(=O)C(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000600099809 439614128 /nfs/dbraw/zinc/61/41/28/439614128.db2.gz RNJAOKDHGSJNND-LBPRGKRZSA-N 1 0 336.348 0.025 20 5 ECBDRO CC(C)(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1(O)CCOCC1 ZINC000572992953 439622113 /nfs/dbraw/zinc/62/21/13/439622113.db2.gz HVOPUHRTTTXFNZ-CYBMUJFWSA-N 1 0 342.396 0.310 20 5 ECBDRO COc1cc(CNCc2nc(C[NH3+])cc(=O)[nH]2)c([N+](=O)[O-])cc1OC ZINC000600771774 439700371 /nfs/dbraw/zinc/70/03/71/439700371.db2.gz BBEJGSGFKHGTQG-UHFFFAOYSA-N 1 0 349.347 0.856 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1Cn1cc(CN2CC[NH+](C)CC2)nn1 ZINC000600974210 439717326 /nfs/dbraw/zinc/71/73/26/439717326.db2.gz WYGUJXDHUONKFB-UHFFFAOYSA-N 1 0 346.391 0.991 20 5 ECBDRO C[NH+](C)CC(=O)N1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000600995650 439721688 /nfs/dbraw/zinc/72/16/88/439721688.db2.gz XWYFPRJDSAPVGI-UHFFFAOYSA-N 1 0 338.339 0.580 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000595243882 439680728 /nfs/dbraw/zinc/68/07/28/439680728.db2.gz YEYUIJCZZQSKIT-UHFFFAOYSA-N 1 0 334.332 0.410 20 5 ECBDRO C[NH+]1CCN(c2cc(CNC(=O)c3c[nH]nc3[N+](=O)[O-])ccn2)CC1 ZINC000574138681 439685518 /nfs/dbraw/zinc/68/55/18/439685518.db2.gz BXYANOWFEUPQHE-UHFFFAOYSA-N 1 0 345.363 0.395 20 5 ECBDRO C[C@@H](O)C[NH+]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611268422 439687147 /nfs/dbraw/zinc/68/71/47/439687147.db2.gz LWEVFCYTVAJCTD-GFCCVEGCSA-N 1 0 337.376 0.864 20 5 ECBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)cn1 ZINC000617457937 439887446 /nfs/dbraw/zinc/88/74/46/439887446.db2.gz NMTDRPKVUSBGFP-GFCCVEGCSA-N 1 0 340.405 0.735 20 5 ECBDRO CS[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1[NH+](C)C ZINC000272101154 320556264 /nfs/dbraw/zinc/55/62/64/320556264.db2.gz ZOXBLRJQYJXQII-STQMWFEESA-N 1 0 326.422 0.734 20 5 ECBDRO Cc1ccc(C(=O)NCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000326617785 320722625 /nfs/dbraw/zinc/72/26/25/320722625.db2.gz NXYKTXGRFMFNJC-OAHLLOKOSA-N 1 0 347.375 0.480 20 5 ECBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000343017984 321117367 /nfs/dbraw/zinc/11/73/67/321117367.db2.gz VDFRAUFPSWKSKL-UHFFFAOYSA-N 1 0 330.348 0.361 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCNc1cc[nH+]cc1 ZINC000347863537 321255921 /nfs/dbraw/zinc/25/59/21/321255921.db2.gz NKDDWTJVIFHMQC-UHFFFAOYSA-N 1 0 343.343 0.887 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CCC[C@@H](C[NH2+]C)C2)c([N+](=O)[O-])n1 ZINC000353214195 321385451 /nfs/dbraw/zinc/38/54/51/321385451.db2.gz FLAWQNZBRDZIGU-JTQLQIEISA-N 1 0 331.398 0.431 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])n1 ZINC000353430569 321391402 /nfs/dbraw/zinc/39/14/02/321391402.db2.gz XXCZHGBTDWUPOK-ZJUUUORDSA-N 1 0 329.382 0.326 20 5 ECBDRO C[NH+](C)[C@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1O ZINC000560636535 322248098 /nfs/dbraw/zinc/24/80/98/322248098.db2.gz WCTNYDMCLGEDRR-GJZGRUSLSA-N 1 0 345.359 0.527 20 5 ECBDRO C[C@H](CCO)C1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1 ZINC000563139242 322300517 /nfs/dbraw/zinc/30/05/17/322300517.db2.gz XBVXIOCCJLBIFR-OCCSQVGLSA-N 1 0 326.397 0.931 20 5 ECBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000564584405 322381733 /nfs/dbraw/zinc/38/17/33/322381733.db2.gz DYRTWZHPCVVZTN-OLZOCXBDSA-N 1 0 347.375 0.086 20 5 ECBDRO C[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000564852038 322399651 /nfs/dbraw/zinc/39/96/51/322399651.db2.gz UPCHJGHCGYZJOX-WDEREUQCSA-N 1 0 332.378 0.357 20 5 ECBDRO CC[NH2+][C@H](C)CNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000565471285 322458555 /nfs/dbraw/zinc/45/85/55/322458555.db2.gz ZXRAMQGIJZXYFK-GFCCVEGCSA-N 1 0 336.396 0.819 20 5 ECBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)CCNc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000566496962 322539143 /nfs/dbraw/zinc/53/91/43/322539143.db2.gz 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NC(=O)[C@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000130511392 205243444 /nfs/dbraw/zinc/24/34/44/205243444.db2.gz PGLNLUUPCLVPMB-RWMBFGLXSA-N 1 0 337.376 0.968 20 5 ECBDRO CC[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC[N@@H+]1C[C@H](C)O ZINC000246989565 205249090 /nfs/dbraw/zinc/24/90/90/205249090.db2.gz UZCAAWCSOZELPC-AAEUAGOBSA-N 1 0 339.396 0.403 20 5 ECBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCCC[NH+]1CCC(O)CC1 ZINC000159000857 206220954 /nfs/dbraw/zinc/22/09/54/206220954.db2.gz UCFKAFMXBORLLL-UHFFFAOYSA-N 1 0 343.405 0.720 20 5 ECBDRO C[C@@H](CC[NH+](C)C)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000264960744 247089452 /nfs/dbraw/zinc/08/94/52/247089452.db2.gz ZPIBZVJVDZADAE-JTQLQIEISA-N 1 0 348.359 0.647 20 5 ECBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)C2CC[NH2+]CC2)CC1 ZINC000161587568 206357446 /nfs/dbraw/zinc/35/74/46/206357446.db2.gz FUGMKWKTEPGITM-UHFFFAOYSA-N 1 0 346.387 0.879 20 5 ECBDRO CCOC(=O)C[N@H+](CC(C)C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266550800 248356072 /nfs/dbraw/zinc/35/60/72/248356072.db2.gz UGGBNCOFUVNKKS-ZDUSSCGKSA-N 1 0 328.369 0.673 20 5 ECBDRO C[C@](CO)([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccc(O)c1 ZINC000451035464 211356561 /nfs/dbraw/zinc/35/65/61/211356561.db2.gz BULSKVZDWLAMMH-MRXNPFEDSA-N 1 0 333.344 0.959 20 5 ECBDRO [NH3+]C1(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CCC1 ZINC000449230962 211277664 /nfs/dbraw/zinc/27/76/64/211277664.db2.gz MYHDBPADCBPUAD-UHFFFAOYSA-N 1 0 338.389 0.822 20 5 ECBDRO COCCO[C@@H]1C[C@H](CO)C[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000447395524 211188668 /nfs/dbraw/zinc/18/86/68/211188668.db2.gz SUKHZWJNTIWCKR-GXTWGEPZSA-N 1 0 328.369 0.137 20 5 ECBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000446401299 211143056 /nfs/dbraw/zinc/14/30/56/211143056.db2.gz WGELPHTWGZIZQC-CHWSQXEVSA-N 1 0 349.391 0.780 20 5 ECBDRO Cc1nn(C)c(C(=O)NC[C@@]2([NH+](C)C)CCSC2)c1[N+](=O)[O-] ZINC000267384498 251006880 /nfs/dbraw/zinc/00/68/80/251006880.db2.gz ZPTWNOLUWCXCKW-ZDUSSCGKSA-N 1 0 327.410 0.804 20 5 ECBDRO CC(C)(CN1CCOCC1)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000412001808 208186242 /nfs/dbraw/zinc/18/62/42/208186242.db2.gz IFAXAAZAZJIDQQ-UHFFFAOYSA-N 1 0 336.392 0.894 20 5 ECBDRO Cc1cc(N2CCN(CC(N)=O)C(=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000413424680 208324116 /nfs/dbraw/zinc/32/41/16/208324116.db2.gz QODGYVKIPACLBE-UHFFFAOYSA-N 1 0 343.343 0.585 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000420441329 209367290 /nfs/dbraw/zinc/36/72/90/209367290.db2.gz OJRCKVMVEDOWDC-SFYZADRCSA-N 1 0 331.350 0.395 20 5 ECBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420474160 209373628 /nfs/dbraw/zinc/37/36/28/209373628.db2.gz FPTGGQMRCYMJPI-LBPRGKRZSA-N 1 0 329.378 0.478 20 5 ECBDRO C[C@@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000429151612 210301483 /nfs/dbraw/zinc/30/14/83/210301483.db2.gz SWNARMQRKBNSGQ-PWSUYJOCSA-N 1 0 330.348 0.985 20 5 ECBDRO CC(C)([NH3+])CNC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418418949 208806634 /nfs/dbraw/zinc/80/66/34/208806634.db2.gz YHYACMMEOJBACK-UHFFFAOYSA-N 1 0 349.391 0.800 20 5 ECBDRO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418695849 208838330 /nfs/dbraw/zinc/83/83/30/208838330.db2.gz JZITVPZLHJSEQI-RYUDHWBXSA-N 1 0 349.391 0.798 20 5 ECBDRO COCC[NH2+]CCNC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418783155 208848850 /nfs/dbraw/zinc/84/88/50/208848850.db2.gz NZKWFHANNPGGAM-NSHDSACASA-N 1 0 338.364 0.124 20 5 ECBDRO CCCN(C(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000418867666 208886551 /nfs/dbraw/zinc/88/65/51/208886551.db2.gz MKTGGOGRYVGIJH-HNNXBMFYSA-N 1 0 348.403 0.854 20 5 ECBDRO C[C@@H]1CN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)[NH2+]1 ZINC000418921883 208908704 /nfs/dbraw/zinc/90/87/04/208908704.db2.gz KCRQYBWWRKHULE-VXGBXAGGSA-N 1 0 334.376 0.462 20 5 ECBDRO CC1(CNC(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000419043525 208960215 /nfs/dbraw/zinc/96/02/15/208960215.db2.gz RKBDUYWVMCLRSK-UHFFFAOYSA-N 1 0 348.403 0.759 20 5 ECBDRO O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419044220 208960705 /nfs/dbraw/zinc/96/07/05/208960705.db2.gz SSVZOJVHLGWOAO-ZDUSSCGKSA-N 1 0 348.403 0.759 20 5 ECBDRO C[C@H](NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000419158086 209005554 /nfs/dbraw/zinc/00/55/54/209005554.db2.gz XKUNFNFYYSGBLM-UTUOFQBUSA-N 1 0 334.376 0.981 20 5 ECBDRO O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000495135806 254996342 /nfs/dbraw/zinc/99/63/42/254996342.db2.gz HQQYKENYCXIOOY-BWPRHRIFSA-N 1 0 338.751 0.312 20 5 ECBDRO COC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000496344555 255092861 /nfs/dbraw/zinc/09/28/61/255092861.db2.gz MBDORQDPOOELIS-SFYZADRCSA-N 1 0 346.365 0.787 20 5 ECBDRO COC(=O)[C@H](C)[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000190085977 533198234 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SVJUERRZSUAQSF-LLVKDONJSA-N 1 0 332.360 0.749 20 5 ECBDRO COc1cc(C(=O)NCCN2CC[NH+](C)CC2)cc([N+](=O)[O-])c1C ZINC000191574799 533534039 /nfs/dbraw/zinc/53/40/39/533534039.db2.gz GWQVRLYNKAZSIC-UHFFFAOYSA-N 1 0 336.392 0.889 20 5 ECBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000358506860 299727454 /nfs/dbraw/zinc/72/74/54/299727454.db2.gz CNYMJOUZVBHPNK-SNVBAGLBSA-N 1 0 332.316 0.648 20 5 ECBDRO COc1ccc(S(=O)(=O)N2C[C@H](C)[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC000119085093 286350771 /nfs/dbraw/zinc/35/07/71/286350771.db2.gz FWMJZOFJPCQGRL-VHSXEESVSA-N 1 0 329.378 0.974 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000119068052 286384762 /nfs/dbraw/zinc/38/47/62/286384762.db2.gz FGYNASMQJSQZLW-VHSXEESVSA-N 1 0 329.378 0.974 20 5 ECBDRO O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000293241747 296786765 /nfs/dbraw/zinc/78/67/65/296786765.db2.gz FIVOTKDZFVEBTG-QWHCGFSZSA-N 1 0 342.359 1.000 20 5 ECBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]([NH3+])C(C)C ZINC000429139539 286933208 /nfs/dbraw/zinc/93/32/08/286933208.db2.gz WATKTKHGGGYHSQ-WDEREUQCSA-N 1 0 326.401 0.927 20 5 ECBDRO COc1ccc(C(=O)NCC(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000298339371 296837182 /nfs/dbraw/zinc/83/71/82/296837182.db2.gz WOXMHWBRUXMPPL-UHFFFAOYSA-N 1 0 338.364 0.401 20 5 ECBDRO COC[C@]1(CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCC[NH2+]1 ZINC000261646947 165221468 /nfs/dbraw/zinc/22/14/68/165221468.db2.gz FLNGJNAJGZHHHN-CYBMUJFWSA-N 1 0 347.368 0.781 20 5 ECBDRO CS(=O)(=O)C1(C(=O)NCc2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000262048000 165282173 /nfs/dbraw/zinc/28/21/73/165282173.db2.gz HAMOXABRIGCLNJ-UHFFFAOYSA-N 1 0 341.389 0.378 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000262290649 165324363 /nfs/dbraw/zinc/32/43/63/165324363.db2.gz NCPBYFMPCBIXHV-ZJUUUORDSA-N 1 0 329.378 0.961 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[C@@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000262520125 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20 5 ECBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000316603263 437188117 /nfs/dbraw/zinc/18/81/17/437188117.db2.gz HXQZPVHUJWFZMV-PWSUYJOCSA-N 1 0 329.378 0.640 20 5 ECBDRO COC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000178001472 437204447 /nfs/dbraw/zinc/20/44/47/437204447.db2.gz UYRQVYZGERAEKH-CQSZACIVSA-N 1 0 343.405 0.888 20 5 ECBDRO COc1cc(C(=O)NC[C@@H]2C[NH2+]CCO2)c([N+](=O)[O-])cc1OC ZINC000322599738 437217519 /nfs/dbraw/zinc/21/75/19/437217519.db2.gz LWAQAKKRADGTLR-VIFPVBQESA-N 1 0 325.321 0.330 20 5 ECBDRO C[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000178951308 437241330 /nfs/dbraw/zinc/24/13/30/437241330.db2.gz ASLFZLQOVODCDN-UHFFFAOYSA-N 1 0 329.378 0.976 20 5 ECBDRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000178939161 437242239 /nfs/dbraw/zinc/24/22/39/437242239.db2.gz MDMBAUSGNGFRHX-JTQLQIEISA-N 1 0 329.378 0.833 20 5 ECBDRO CC[N@@H+]1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 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AQHPLHQLRKSFCC-LLVKDONJSA-N 1 0 349.391 0.494 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCN2CCCOCC2)cc1 ZINC000189091227 437582295 /nfs/dbraw/zinc/58/22/95/437582295.db2.gz AJNJECXFBDHRJJ-UHFFFAOYSA-N 1 0 329.378 0.595 20 5 ECBDRO O=C1C[C@]2(CN1)CCC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000362409344 437735990 /nfs/dbraw/zinc/73/59/90/437735990.db2.gz FYWQPLYWTBVBOI-YOEHRIQHSA-N 1 0 349.387 0.937 20 5 ECBDRO Cn1c(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)ccc1[N+](=O)[O-] ZINC000423959859 437868093 /nfs/dbraw/zinc/86/80/93/437868093.db2.gz XZQKBQSXWJSNNF-UHFFFAOYSA-N 1 0 335.408 0.880 20 5 ECBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000415765976 437856530 /nfs/dbraw/zinc/85/65/30/437856530.db2.gz LDBXQAQHVYIJLO-ZANVPECISA-N 1 0 336.323 0.883 20 5 ECBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347447316 437892232 /nfs/dbraw/zinc/89/22/32/437892232.db2.gz MHSAIWNIOZNUGO-ZDUSSCGKSA-N 1 0 344.375 1.290 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000416498099 437947047 /nfs/dbraw/zinc/94/70/47/437947047.db2.gz WIKYZKOFXQTJQL-JTQLQIEISA-N 1 0 329.378 0.833 20 5 ECBDRO COc1c(F)cc(S(=O)(=O)NC[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000416498918 437947633 /nfs/dbraw/zinc/94/76/33/437947633.db2.gz ZDPPOOMOVSESMT-VIFPVBQESA-N 1 0 347.368 0.973 20 5 ECBDRO CCn1cc(S(=O)(=O)NCCCC[N@H+](C)C2CC2)c([N+](=O)[O-])n1 ZINC000416506436 437949347 /nfs/dbraw/zinc/94/93/47/437949347.db2.gz IYBLUHJKDXARSH-UHFFFAOYSA-N 1 0 345.425 0.964 20 5 ECBDRO C[NH+]1CCC(n2ccc(NC(=O)Nc3ccncc3[N+](=O)[O-])n2)CC1 ZINC000365822905 437977819 /nfs/dbraw/zinc/97/78/19/437977819.db2.gz TWOQPSYVJSZJRZ-UHFFFAOYSA-N 1 0 345.363 1.519 20 5 ECBDRO C[N@H+](C[C@H](O)COc1ccc([N+](=O)[O-])cc1-n1cnnn1)C1CC1 ZINC000357444153 437990857 /nfs/dbraw/zinc/99/08/57/437990857.db2.gz XLMFGINPVOVZLY-LBPRGKRZSA-N 1 0 334.336 0.404 20 5 ECBDRO CS[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1[NH+](C)C ZINC000342543605 438027698 /nfs/dbraw/zinc/02/76/98/438027698.db2.gz KFRCZRPKRIZKJQ-JHJVBQTASA-N 1 0 329.426 0.130 20 5 ECBDRO CC[NH+]1CCN(CCNC(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000357501791 437999938 /nfs/dbraw/zinc/99/99/38/437999938.db2.gz QCGMKNRKPOIZRX-UHFFFAOYSA-N 1 0 336.392 0.971 20 5 ECBDRO CN(C(=O)CN1CC[C@H]2OCC(=O)N[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000366810009 438130909 /nfs/dbraw/zinc/13/09/09/438130909.db2.gz PRZADEAMOQVZDV-UONOGXRCSA-N 1 0 348.359 0.147 20 5 ECBDRO COc1cc(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc([N+](=O)[O-])c1OC ZINC000358051771 438131589 /nfs/dbraw/zinc/13/15/89/438131589.db2.gz DBPJPPSTPFIMOR-HNNXBMFYSA-N 1 0 339.348 0.408 20 5 ECBDRO C[NH2+]C1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000430966017 438136454 /nfs/dbraw/zinc/13/64/54/438136454.db2.gz NMCWMFKTMHILFJ-UHFFFAOYSA-N 1 0 336.348 0.946 20 5 ECBDRO O=[N+]([O-])c1cnc2ccc(N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)nn21 ZINC000367215100 438182829 /nfs/dbraw/zinc/18/28/29/438182829.db2.gz CXWIHMRACXWLMH-VXGBXAGGSA-N 1 0 332.364 0.673 20 5 ECBDRO COCC[NH2+]CCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418504873 438153450 /nfs/dbraw/zinc/15/34/50/438153450.db2.gz CQFZGXZQURJFEV-UHFFFAOYSA-N 1 0 338.364 0.603 20 5 ECBDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000373547124 438156737 /nfs/dbraw/zinc/15/67/37/438156737.db2.gz RZMKVDUEIZZEPW-HLLBOEOZSA-N 1 0 333.388 0.747 20 5 ECBDRO C[NH+]1CCN(C[C@@H]2CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000367622208 438230211 /nfs/dbraw/zinc/23/02/11/438230211.db2.gz GMELEIMCQSDBDQ-OAHLLOKOSA-N 1 0 336.440 0.751 20 5 ECBDRO CN1CCN(C2CCN(c3ccc(N)cc3[N+](=O)[O-])CC2)C(=O)C1 ZINC000367345330 438198735 /nfs/dbraw/zinc/19/87/35/438198735.db2.gz GXOSFZUVLZAOPO-UHFFFAOYSA-N 1 0 333.392 0.920 20 5 ECBDRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351489610 438267880 /nfs/dbraw/zinc/26/78/80/438267880.db2.gz DAIAVEAYGXCCGN-UHFFFAOYSA-N 1 0 342.327 0.367 20 5 ECBDRO CS(=O)(=O)NCCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000351500477 438273184 /nfs/dbraw/zinc/27/31/84/438273184.db2.gz GTYPUUPKAZNRRL-NEPJUHHUSA-N 1 0 345.425 0.804 20 5 ECBDRO O=C(CC[N@@H+]1CC[C@H]2C(=O)NC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000377680552 438325052 /nfs/dbraw/zinc/32/50/52/438325052.db2.gz QDLUQGCGKHJMJW-NWDGAFQWSA-N 1 0 332.360 0.991 20 5 ECBDRO COc1cc(OCC(=O)N2CCO[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000368413807 438326476 /nfs/dbraw/zinc/32/64/76/438326476.db2.gz TZJFIPZFLYYDGY-LLVKDONJSA-N 1 0 325.321 0.168 20 5 ECBDRO CC[NH2+][C@H](C)CNC(=O)[C@H](CC)Nc1c([N+](=O)[O-])c(C)nn1C ZINC000358943323 438334454 /nfs/dbraw/zinc/33/44/54/438334454.db2.gz OPRBYKGVOQPCOP-KOLCDFICSA-N 1 0 326.401 0.941 20 5 ECBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000419042800 438302299 /nfs/dbraw/zinc/30/22/99/438302299.db2.gz PSKWBFXINJNTST-DGCLKSJQSA-N 1 0 334.376 0.510 20 5 ECBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000368859105 438393705 /nfs/dbraw/zinc/39/37/05/438393705.db2.gz FHBYLGPPEDOLSY-ZFWWWQNUSA-N 1 0 335.360 0.953 20 5 ECBDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000435807823 438387411 /nfs/dbraw/zinc/38/74/11/438387411.db2.gz JZDJRRJBIUPHLR-JTQLQIEISA-N 1 0 333.414 0.820 20 5 ECBDRO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369007093 438410797 /nfs/dbraw/zinc/41/07/97/438410797.db2.gz CETKFPYFJPVCPO-GFCCVEGCSA-N 1 0 345.425 0.758 20 5 ECBDRO Cc1ccc(S(=O)(=O)N2CCCO[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420470489 438411296 /nfs/dbraw/zinc/41/12/96/438411296.db2.gz MPOPUBOAORSRDQ-NSHDSACASA-N 1 0 329.378 0.642 20 5 ECBDRO CCCC(=O)N1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000369781811 438514601 /nfs/dbraw/zinc/51/46/01/438514601.db2.gz IYLZPKLHSZWLCF-CQSZACIVSA-N 1 0 339.396 0.487 20 5 ECBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000408450578 438575087 /nfs/dbraw/zinc/57/50/87/438575087.db2.gz FVUXJGAIEZQQIJ-AAEUAGOBSA-N 1 0 334.380 0.662 20 5 ECBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)/C=C\c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000493110998 438606081 /nfs/dbraw/zinc/60/60/81/438606081.db2.gz AZJSMRDOZNCGDV-AGFGORMFSA-N 1 0 330.344 0.378 20 5 ECBDRO CCc1n[nH]c(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)c1[N+](=O)[O-] ZINC000452386382 438658612 /nfs/dbraw/zinc/65/86/12/438658612.db2.gz FNVGOOPKONOXKS-SNVBAGLBSA-N 1 0 325.369 0.457 20 5 ECBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000423306880 438658963 /nfs/dbraw/zinc/65/89/63/438658963.db2.gz MGUGVGBHNSUHII-DGCLKSJQSA-N 1 0 346.387 0.675 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H](CO)Cc2cccnc2)c1 ZINC000574813264 438721679 /nfs/dbraw/zinc/72/16/79/438721679.db2.gz WIJHMKLBRNQLBS-HOCLYGCPSA-N 1 0 347.371 0.923 20 5 ECBDRO COCCN(CC[NH+](C)C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000576946623 438805861 /nfs/dbraw/zinc/80/58/61/438805861.db2.gz ZUYZWIRIKAYUQX-UHFFFAOYSA-N 1 0 339.348 0.974 20 5 ECBDRO CC[C@@H]1C[N@H+](C)CCN1c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000555242226 438774582 /nfs/dbraw/zinc/77/45/82/438774582.db2.gz HICUALJBCDURQZ-SNVBAGLBSA-N 1 0 328.394 0.773 20 5 ECBDRO CC(C)(C)OC(=O)NCCNC(=[NH2+])NCCn1cc([N+](=O)[O-])cn1 ZINC000497256241 438785629 /nfs/dbraw/zinc/78/56/29/438785629.db2.gz DDTFPZZASDWPKF-UHFFFAOYSA-N 1 0 341.372 0.430 20 5 ECBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000576576650 438789188 /nfs/dbraw/zinc/78/91/88/438789188.db2.gz ILLCVTKCWMJLCP-LBPRGKRZSA-N 1 0 334.376 0.865 20 5 ECBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000556850794 438793471 /nfs/dbraw/zinc/79/34/71/438793471.db2.gz IHQZCASCPOCMJY-KRWDZBQOSA-N 1 0 348.403 0.970 20 5 ECBDRO C[N@@H+]1CC[C@H](C(=O)NCCNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000577378913 438837736 /nfs/dbraw/zinc/83/77/36/438837736.db2.gz FGQFUZBYTUAGLL-NSHDSACASA-N 1 0 344.375 1.018 20 5 ECBDRO Cc1nn(CCC(=O)N[C@@H](CO)C[NH+]2CCCC2)c(C)c1[N+](=O)[O-] ZINC000588869383 438845197 /nfs/dbraw/zinc/84/51/97/438845197.db2.gz OCQSQFPOTSZRKE-CYBMUJFWSA-N 1 0 339.396 0.371 20 5 ECBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595947769 438895609 /nfs/dbraw/zinc/89/56/09/438895609.db2.gz NZQSJTNNCBBKRH-GMTAPVOTSA-N 1 0 342.375 0.725 20 5 ECBDRO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000595770018 438858674 /nfs/dbraw/zinc/85/86/74/438858674.db2.gz MEYYQGLZMJXZOU-BPUTZDHNSA-N 1 0 348.407 0.887 20 5 ECBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC(CO)(CO)C1 ZINC000595800897 438864399 /nfs/dbraw/zinc/86/43/99/438864399.db2.gz SURHQWKMMBKLFQ-UHFFFAOYSA-N 1 0 337.376 0.909 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000564854002 438877886 /nfs/dbraw/zinc/87/78/86/438877886.db2.gz KFBGNZUXTTXPPK-MRVWCRGKSA-N 1 0 342.421 0.797 20 5 ECBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCOC2(C[NH2+]C2)C1 ZINC000596097824 438925804 /nfs/dbraw/zinc/92/58/04/438925804.db2.gz GTYYUUSFWBQNEQ-UHFFFAOYSA-N 1 0 343.343 0.595 20 5 ECBDRO Cc1nn(C)c(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000590565677 438935441 /nfs/dbraw/zinc/93/54/41/438935441.db2.gz PJNJJYAVWKFSKP-NWDGAFQWSA-N 1 0 337.380 0.572 20 5 ECBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596175336 438936506 /nfs/dbraw/zinc/93/65/06/438936506.db2.gz RSMACEBCLLSMQZ-LBPRGKRZSA-N 1 0 334.380 0.491 20 5 ECBDRO C[NH+](C)CCN1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1=O ZINC000601655428 438950397 /nfs/dbraw/zinc/95/03/97/438950397.db2.gz YBSFADVTPNWMSO-UHFFFAOYSA-N 1 0 338.339 0.580 20 5 ECBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601651998 438950705 /nfs/dbraw/zinc/95/07/05/438950705.db2.gz ZOXLHDOIMKQOCL-JTQLQIEISA-N 1 0 338.339 0.926 20 5 ECBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCNS(=O)(=O)N(C)C ZINC000459534999 438973279 /nfs/dbraw/zinc/97/32/79/438973279.db2.gz JICFZVFBTREFQI-LLVKDONJSA-N 1 0 330.410 0.511 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2COc3ccc(F)cc3C2)c1 ZINC000519594584 439042701 /nfs/dbraw/zinc/04/27/01/439042701.db2.gz HEKLGFHBJIKHNS-TZMCWYRMSA-N 1 0 336.323 0.885 20 5 ECBDRO CN(CCC[NH3+])C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000591679911 439060926 /nfs/dbraw/zinc/06/09/26/439060926.db2.gz ZUGMRNVMGJYSRA-UHFFFAOYSA-N 1 0 344.393 0.023 20 5 ECBDRO COC[C@@H](C)OC[C@@H](O)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000567702120 439167458 /nfs/dbraw/zinc/16/74/58/439167458.db2.gz UMBJRAJEOBDAAU-PWSUYJOCSA-N 1 0 338.364 0.973 20 5 ECBDRO CO[C@@H]1COCC[C@H]1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000521863677 439130365 /nfs/dbraw/zinc/13/03/65/439130365.db2.gz ADPFOIZRZLPEHX-HEHGZKQESA-N 1 0 340.376 0.976 20 5 ECBDRO COc1ccc(CC(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000597624436 439140438 /nfs/dbraw/zinc/14/04/38/439140438.db2.gz IWTDUBIKLFSOLK-CQSZACIVSA-N 1 0 348.403 0.652 20 5 ECBDRO O=C(C[NH2+]C[C@@H]1CCCO1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000567665790 439162019 /nfs/dbraw/zinc/16/20/19/439162019.db2.gz RCEUOOBKUXBFKY-AWEZNQCLSA-N 1 0 349.391 0.407 20 5 ECBDRO COc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)c1 ZINC000592303182 439196886 /nfs/dbraw/zinc/19/68/86/439196886.db2.gz NHDRREIRRWGJOW-UHFFFAOYSA-N 1 0 347.335 0.383 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](CO)Cc2ccc(O)cc2)c1 ZINC000592429712 439227399 /nfs/dbraw/zinc/22/73/99/439227399.db2.gz ONRHDYYNPNKZRZ-SWLSCSKDSA-N 1 0 336.348 0.051 20 5 ECBDRO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1c[nH]nc1[N+](=O)[O-] ZINC000597989685 439208020 /nfs/dbraw/zinc/20/80/20/439208020.db2.gz HIGMGAIIVCDVOO-ZDUSSCGKSA-N 1 0 345.359 0.815 20 5 ECBDRO COc1ccc(Cn2cc(CN3CC[NH2+]CC3)nn2)cc1[N+](=O)[O-] ZINC000603205656 439209471 /nfs/dbraw/zinc/20/94/71/439209471.db2.gz GKDOLJQNUAIUGK-UHFFFAOYSA-N 1 0 332.364 0.648 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000592375892 439214382 /nfs/dbraw/zinc/21/43/82/439214382.db2.gz SBFYYLZBZIDPHL-UWVGGRQHSA-N 1 0 329.378 0.974 20 5 ECBDRO C[C@H]([NH3+])CNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000592383074 439215950 /nfs/dbraw/zinc/21/59/50/439215950.db2.gz DWFQUYWWVUXFKR-LURJTMIESA-N 1 0 338.183 0.983 20 5 ECBDRO CCOCCN1CCN(c2nccc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000598595432 439283288 /nfs/dbraw/zinc/28/32/88/439283288.db2.gz SREUOFPFWMAOKX-UHFFFAOYSA-N 1 0 338.364 0.935 20 5 ECBDRO C[N@@H+]1CCC[C@H](CNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000598595603 439283347 /nfs/dbraw/zinc/28/33/47/439283347.db2.gz KSCCWMJNBSSBOG-GFCCVEGCSA-N 1 0 336.396 0.975 20 5 ECBDRO C[N@@H+]1CCC[C@@H](CNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000598595604 439283470 /nfs/dbraw/zinc/28/34/70/439283470.db2.gz KSCCWMJNBSSBOG-LBPRGKRZSA-N 1 0 336.396 0.975 20 5 ECBDRO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCC[NH2+]1 ZINC000592466638 439233861 /nfs/dbraw/zinc/23/38/61/439233861.db2.gz UKFCDRDPHPIUHS-ZDUSSCGKSA-N 1 0 349.391 0.652 20 5 ECBDRO COC(=O)[C@@H]1C[NH2+]CCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000592493499 439240535 /nfs/dbraw/zinc/24/05/35/439240535.db2.gz YSRDAAVHTOXPTP-ZDUSSCGKSA-N 1 0 336.348 0.370 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCS(=O)(=O)C2)c1 ZINC000603495432 439265257 /nfs/dbraw/zinc/26/52/57/439265257.db2.gz YNUQZGGHMGCZFP-DGCLKSJQSA-N 1 0 344.389 0.359 20 5 ECBDRO O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1CCC([NH2+]C2CC2)CC1 ZINC000598608847 439287889 /nfs/dbraw/zinc/28/78/89/439287889.db2.gz XNTVTWJZSSROFP-UHFFFAOYSA-N 1 0 348.407 0.942 20 5 ECBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598665189 439300930 /nfs/dbraw/zinc/30/09/30/439300930.db2.gz LTEYJVVQEKSUTM-WDEREUQCSA-N 1 0 335.364 0.925 20 5 ECBDRO C[NH2+]CCOCCNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000599107842 439360233 /nfs/dbraw/zinc/36/02/33/439360233.db2.gz NWXUPNBYJSGNET-UHFFFAOYSA-N 1 0 331.394 0.726 20 5 ECBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)CCOCC[NH3+])c1C ZINC000599110115 439361831 /nfs/dbraw/zinc/36/18/31/439361831.db2.gz HEKPEQJVFMIOGF-UHFFFAOYSA-N 1 0 331.394 0.807 20 5 ECBDRO CN(C)S(=O)(=O)N1CC([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000599015623 439345177 /nfs/dbraw/zinc/34/51/77/439345177.db2.gz HPMZUXMLNPILEL-ALCCZGGFSA-N 1 0 340.405 0.688 20 5 ECBDRO NC(=O)c1ccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000569594462 439347726 /nfs/dbraw/zinc/34/77/26/439347726.db2.gz ATRGGYWHIWEZJF-ZDUSSCGKSA-N 1 0 346.343 0.618 20 5 ECBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC2([NH3+])CCOCC2)c1 ZINC000599100424 439357163 /nfs/dbraw/zinc/35/71/63/439357163.db2.gz DRTKQOGTZCVOLM-UHFFFAOYSA-N 1 0 343.405 0.998 20 5 ECBDRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599236908 439394884 /nfs/dbraw/zinc/39/48/84/439394884.db2.gz OWWIDYFDLPSERB-LLVKDONJSA-N 1 0 345.425 0.871 20 5 ECBDRO COCC1(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000570515256 439425349 /nfs/dbraw/zinc/42/53/49/439425349.db2.gz DNGWJQXOIBWYMJ-UHFFFAOYSA-N 1 0 344.393 0.284 20 5 ECBDRO Cc1ccnc(N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000583193975 439432428 /nfs/dbraw/zinc/43/24/28/439432428.db2.gz LKSLMFMARWPDEH-ZDUSSCGKSA-N 1 0 333.392 0.946 20 5 ECBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CC(N3CC[C@@H](O)C3)C2)cc1 ZINC000593649927 439436619 /nfs/dbraw/zinc/43/66/19/439436619.db2.gz OTISNQOGEOJYRW-CQSZACIVSA-N 1 0 341.389 0.175 20 5 ECBDRO C[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCC[C@@H](C)C1 ZINC000583376443 439456132 /nfs/dbraw/zinc/45/61/32/439456132.db2.gz NYGRBXHIDKYEGA-IPYPFGDCSA-N 1 0 325.413 0.862 20 5 ECBDRO CNc1nc(C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC000583390709 439459648 /nfs/dbraw/zinc/45/96/48/439459648.db2.gz ZBHKZKRFKWAHOU-HNNXBMFYSA-N 1 0 335.364 0.218 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCN(CC(F)(F)F)C2)c1 ZINC000571158132 439480016 /nfs/dbraw/zinc/48/00/16/439480016.db2.gz XZCJAIUHAVIEJI-GXSJLCMTSA-N 1 0 337.302 0.378 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2nnc3n2CCC3)c1 ZINC000583559957 439480803 /nfs/dbraw/zinc/48/08/03/439480803.db2.gz POVJVUJUAMCTNV-LBPRGKRZSA-N 1 0 333.348 0.662 20 5 ECBDRO CCO[C@@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000593916189 439495295 /nfs/dbraw/zinc/49/52/95/439495295.db2.gz GINCQZPVPKOVMR-IUODEOHRSA-N 1 0 336.392 0.853 20 5 ECBDRO CCO[C@@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C[NH3+] ZINC000593736584 439458081 /nfs/dbraw/zinc/45/80/81/439458081.db2.gz BTGZMWIFYXBKDK-DAXOMENPSA-N 1 0 348.403 0.996 20 5 ECBDRO NS(=O)(=O)NC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000599647604 439527229 /nfs/dbraw/zinc/52/72/29/439527229.db2.gz QXMQODHPMWEXPE-UHFFFAOYSA-N 1 0 344.393 0.231 20 5 ECBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594233570 439530594 /nfs/dbraw/zinc/53/05/94/439530594.db2.gz UQUWTKPXIXDFNZ-UONOGXRCSA-N 1 0 334.376 0.598 20 5 ECBDRO Nc1nccc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000540067083 439547355 /nfs/dbraw/zinc/54/73/55/439547355.db2.gz TXWQVUOYTAAFST-UHFFFAOYSA-N 1 0 348.407 0.426 20 5 ECBDRO Cc1n[nH]c(C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000609112591 439550491 /nfs/dbraw/zinc/55/04/91/439550491.db2.gz GKVQUJZBNLDZIB-GFCCVEGCSA-N 1 0 337.380 0.953 20 5 ECBDRO C[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000609257712 439556716 /nfs/dbraw/zinc/55/67/16/439556716.db2.gz JBOLPZAYVJGVKN-LBPRGKRZSA-N 1 0 330.348 1.000 20 5 ECBDRO CC(C)(NC(=O)NCC(=O)N1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000572105030 439556978 /nfs/dbraw/zinc/55/69/78/439556978.db2.gz WSSMWSUQDVABEX-UHFFFAOYSA-N 1 0 349.391 0.561 20 5 ECBDRO COc1cc(OCC(=O)N[C@@H](C[NH3+])C(F)(F)F)ccc1[N+](=O)[O-] ZINC000594451858 439563453 /nfs/dbraw/zinc/56/34/53/439563453.db2.gz QOKOKRSXIZRZJB-JTQLQIEISA-N 1 0 337.254 0.988 20 5 ECBDRO C[C@@H](CN1CCC[C@@H](C)C1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000583807487 439513145 /nfs/dbraw/zinc/51/31/45/439513145.db2.gz NMVZZVCPKFTFTB-IPYPFGDCSA-N 1 0 325.413 0.862 20 5 ECBDRO COc1ccc(CNC(=O)N(C)CCOCC[NH3+])cc1[N+](=O)[O-] ZINC000599906659 439573604 /nfs/dbraw/zinc/57/36/04/439573604.db2.gz 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O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1 ZINC000289910619 437448402 /nfs/dbraw/zinc/44/84/02/437448402.db2.gz NYMJZAKYHDAWKH-WCQYABFASA-N 1 0 340.771 0.949 20 5 ECBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000343096565 437504425 /nfs/dbraw/zinc/50/44/25/437504425.db2.gz FOWNCDKPZHDLPH-OAHLLOKOSA-N 1 0 333.392 0.513 20 5 ECBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000363027915 437764891 /nfs/dbraw/zinc/76/48/91/437764891.db2.gz JBMYHRCSZUPZHJ-ZIAGYGMSSA-N 1 0 337.380 0.239 20 5 ECBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000356458838 437767726 /nfs/dbraw/zinc/76/77/26/437767726.db2.gz PUKLYNVIEIOANC-GFCCVEGCSA-N 1 0 338.412 0.332 20 5 ECBDRO COC1CC[NH+](C(C)(C)CNC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000341302473 437828306 /nfs/dbraw/zinc/82/83/06/437828306.db2.gz AEINZWPVKKAZKJ-UHFFFAOYSA-N 1 0 339.396 0.797 20 5 ECBDRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423723022 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O=C(NC[C@@]1(N2CCOCC2)CCSC1)c1[nH]ncc1[N+](=O)[O-] ZINC000372361727 438079315 /nfs/dbraw/zinc/07/93/15/438079315.db2.gz RYZURWAYEVXISR-ZDUSSCGKSA-N 1 0 341.393 0.256 20 5 ECBDRO C[C@H]1CN(C)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000358034618 438128180 /nfs/dbraw/zinc/12/81/80/438128180.db2.gz HIKPOPMGOVRQGY-SMDDNHRTSA-N 1 0 342.421 0.413 20 5 ECBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000358062278 438137408 /nfs/dbraw/zinc/13/74/08/438137408.db2.gz HGNSVZQYOVOBMW-INIZCTEOSA-N 1 0 330.344 0.939 20 5 ECBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000358070039 438141006 /nfs/dbraw/zinc/14/10/06/438141006.db2.gz UDXZJNAEPOXOCE-INIZCTEOSA-N 1 0 346.343 0.645 20 5 ECBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358202310 438180523 /nfs/dbraw/zinc/18/05/23/438180523.db2.gz RIYMDEUBBPFNLX-ZDUSSCGKSA-N 1 0 329.378 0.248 20 5 ECBDRO C[C@H]1CN(C)C[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000358229855 438187325 /nfs/dbraw/zinc/18/73/25/438187325.db2.gz XQUVLAKLFRMDMB-SMDDNHRTSA-N 1 0 342.421 0.413 20 5 ECBDRO C[C@@H](NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000418781920 438187900 /nfs/dbraw/zinc/18/79/00/438187900.db2.gz MPQDYCCPTZADSH-SJKOYZFVSA-N 1 0 346.387 0.984 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCO[C@@H](C[NH3+])C1 ZINC000358131823 438163208 /nfs/dbraw/zinc/16/32/08/438163208.db2.gz XIKMWRRGTYKLRO-JQWIXIFHSA-N 1 0 338.364 0.590 20 5 ECBDRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000418867675 438226582 /nfs/dbraw/zinc/22/65/82/438226582.db2.gz MLKPJRGFTCFOPE-AWEZNQCLSA-N 1 0 348.403 0.712 20 5 ECBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000358498255 438237851 /nfs/dbraw/zinc/23/78/51/438237851.db2.gz OJZUUYAVMVZWGQ-QWRGUYRKSA-N 1 0 340.384 0.013 20 5 ECBDRO CCC[NH2+]CCNC(=O)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000418935702 438255912 /nfs/dbraw/zinc/25/59/12/438255912.db2.gz JVSKMRBDHDWPSY-UHFFFAOYSA-N 1 0 338.364 0.335 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000418954135 438264110 /nfs/dbraw/zinc/26/41/10/438264110.db2.gz XEVPRHRCGLOBKT-BXKDBHETSA-N 1 0 336.348 0.025 20 5 ECBDRO O=C(CC[N@@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000368100443 438288742 /nfs/dbraw/zinc/28/87/42/438288742.db2.gz QFDLRKWFOBWNQU-RISCZKNCSA-N 1 0 332.360 0.991 20 5 ECBDRO CCOc1cc(C(=O)N2CCO[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000358541494 438250224 /nfs/dbraw/zinc/25/02/24/438250224.db2.gz OAZHHHCFKZOKHR-JTQLQIEISA-N 1 0 339.348 0.802 20 5 ECBDRO CC[NH+]1CCN([C@@H]2CCN(c3ncc([N+](=O)[O-])cc3C(N)=O)C2)CC1 ZINC000358894906 438326040 /nfs/dbraw/zinc/32/60/40/438326040.db2.gz LEPBRTGNXGWICU-GFCCVEGCSA-N 1 0 348.407 0.305 20 5 ECBDRO CS(=O)(=O)c1cccc(NC[C@H]2C[NH2+]CCCO2)c1[N+](=O)[O-] ZINC000389904807 438429040 /nfs/dbraw/zinc/42/90/40/438429040.db2.gz 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337.380 0.872 20 5 ECBDRO CNc1nc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000455861425 438753309 /nfs/dbraw/zinc/75/33/09/438753309.db2.gz BTHSVQVSEGWORD-LBPRGKRZSA-N 1 0 349.391 0.826 20 5 ECBDRO CC[NH2+]CCCNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000575853793 438757577 /nfs/dbraw/zinc/75/75/77/438757577.db2.gz ZXWIKJYYBCNAAQ-UHFFFAOYSA-N 1 0 336.396 0.821 20 5 ECBDRO Nc1cc[nH+]cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000575923357 438760818 /nfs/dbraw/zinc/76/08/18/438760818.db2.gz GWPMWNNYEBQLOE-UHFFFAOYSA-N 1 0 328.332 0.760 20 5 ECBDRO CNS(=O)(=O)c1ccc(N2CC([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000601194280 438830923 /nfs/dbraw/zinc/83/09/23/438830923.db2.gz XDYQCZMCBAUATD-UHFFFAOYSA-N 1 0 340.405 0.787 20 5 ECBDRO COC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C1CCOCC1 ZINC000595614173 438834996 /nfs/dbraw/zinc/83/49/96/438834996.db2.gz HBGLFYRNSSOEHE-AWEZNQCLSA-N 1 0 325.365 0.788 20 5 ECBDRO O=C1CC[C@@H]2C[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CC[C@H]2N1 ZINC000595728766 438851442 /nfs/dbraw/zinc/85/14/42/438851442.db2.gz OQKLYAAOEDLVAY-HZSPNIEDSA-N 1 0 349.387 0.935 20 5 ECBDRO COC(=O)c1cc(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000595948124 438897069 /nfs/dbraw/zinc/89/70/69/438897069.db2.gz OWNGLUOIELHTIY-VXGBXAGGSA-N 1 0 325.296 0.893 20 5 ECBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C[C@@H](O)CN3CCOCC3)c2c1 ZINC000564869003 438880333 /nfs/dbraw/zinc/88/03/33/438880333.db2.gz MIQPZXCGOWIDMW-OAHLLOKOSA-N 1 0 348.403 0.901 20 5 ECBDRO C[NH+](C)CCC[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000595906832 438885304 /nfs/dbraw/zinc/88/53/04/438885304.db2.gz OHXPTJLNQKTBAS-HUUCEWRRSA-N 1 0 341.412 0.195 20 5 ECBDRO [NH3+]C[C@H]1OCC[C@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000595930862 438887612 /nfs/dbraw/zinc/88/76/12/438887612.db2.gz XTUHWDBFECKFLG-IUODEOHRSA-N 1 0 334.376 0.607 20 5 ECBDRO C[NH+](C)[C@H]1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C[C@@H]1O ZINC000516513991 438910060 /nfs/dbraw/zinc/91/00/60/438910060.db2.gz BHYXIKBFZGSBIN-GJZGRUSLSA-N 1 0 345.359 0.527 20 5 ECBDRO Cc1c(C(=O)N[C@@]2(C)CC[NH2+]C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000595993013 438910368 /nfs/dbraw/zinc/91/03/68/438910368.db2.gz VCKWLEJVVZOVOW-ZDUSSCGKSA-N 1 0 342.377 0.032 20 5 ECBDRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000516643049 438918181 /nfs/dbraw/zinc/91/81/81/438918181.db2.gz YSKHCKIEEVVCFG-LBPRGKRZSA-N 1 0 346.387 0.677 20 5 ECBDRO C[N@@H+]1C[C@H]2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000590440745 438923973 /nfs/dbraw/zinc/92/39/73/438923973.db2.gz BJPPUDSHGNPIKW-OCCSQVGLSA-N 1 0 332.360 0.487 20 5 ECBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCOC2(C[NH2+]C2)C1 ZINC000596097209 438925815 /nfs/dbraw/zinc/92/58/15/438925815.db2.gz GEMVRIRUAZSBSN-UHFFFAOYSA-N 1 0 343.343 0.595 20 5 ECBDRO C[NH+](C)[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1O ZINC000590553678 438930270 /nfs/dbraw/zinc/93/02/70/438930270.db2.gz ILIZCEMKIYOBOS-STQMWFEESA-N 1 0 327.768 0.924 20 5 ECBDRO Cc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000590586017 438936880 /nfs/dbraw/zinc/93/68/80/438936880.db2.gz HYKOPIWYVXIHJR-STQMWFEESA-N 1 0 329.378 0.199 20 5 ECBDRO Nc1ccc(NCC(=O)NCC[NH+]2CCCCCC2)nc1[N+](=O)[O-] ZINC000596240032 438947432 /nfs/dbraw/zinc/94/74/32/438947432.db2.gz PBPSWAYZLJRKJH-UHFFFAOYSA-N 1 0 336.396 0.976 20 5 ECBDRO COC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@H+](C)C1 ZINC000596271254 438949169 /nfs/dbraw/zinc/94/91/69/438949169.db2.gz YLPBFPNPPRTFJY-SNVBAGLBSA-N 1 0 336.348 0.235 20 5 ECBDRO CN(C)C(=O)CN(CC[NH+](C)C)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000596464285 438966740 /nfs/dbraw/zinc/96/67/40/438966740.db2.gz VWJCTRJJAHODMW-UHFFFAOYSA-N 1 0 334.380 0.927 20 5 ECBDRO O=C1C[C@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000566132127 439010375 /nfs/dbraw/zinc/01/03/75/439010375.db2.gz SXTKYARYPPRIRR-DOMZBBRYSA-N 1 0 349.387 0.935 20 5 ECBDRO CCNC(=O)C(C)(C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000459584287 438977375 /nfs/dbraw/zinc/97/73/75/438977375.db2.gz IKOROHILGUGUGX-NSHDSACASA-N 1 0 325.365 0.839 20 5 ECBDRO O=C1CCN1c1cccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000579228299 438990444 /nfs/dbraw/zinc/99/04/44/438990444.db2.gz HLBXHWWULABPKE-HNNXBMFYSA-N 1 0 345.359 0.679 20 5 ECBDRO C[C@H]([NH3+])CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000591304682 439000264 /nfs/dbraw/zinc/00/02/64/439000264.db2.gz CRTXGFBEQCJYIC-LURJTMIESA-N 1 0 345.153 0.759 20 5 ECBDRO O=C(CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)Nc1ccccc1 ZINC000566116867 439008341 /nfs/dbraw/zinc/00/83/41/439008341.db2.gz NSNXLNVCPQPTMS-CQSZACIVSA-N 1 0 333.348 0.771 20 5 ECBDRO O=C(N[C@H]1CCC[NH2+]CC1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000591360324 439008810 /nfs/dbraw/zinc/00/88/10/439008810.db2.gz KWBKLEHWNPKGST-ZDUSSCGKSA-N 1 0 348.407 0.964 20 5 ECBDRO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000591362138 439009293 /nfs/dbraw/zinc/00/92/93/439009293.db2.gz VSXPTEZPKNTVOW-ZDUSSCGKSA-N 1 0 333.392 0.566 20 5 ECBDRO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000579589835 439022874 /nfs/dbraw/zinc/02/28/74/439022874.db2.gz RQXVMBHBOBKRPX-LALPHHSUSA-N 1 0 337.380 0.440 20 5 ECBDRO [NH3+]CCC1CCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000567117487 439116915 /nfs/dbraw/zinc/11/69/15/439116915.db2.gz GGLQQHDJKMSPNI-UHFFFAOYSA-N 1 0 334.376 0.798 20 5 ECBDRO CO[C@@]1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCOC1 ZINC000580184372 439068361 /nfs/dbraw/zinc/06/83/61/439068361.db2.gz XJEUZGHOIZNIIL-IUODEOHRSA-N 1 0 326.349 0.730 20 5 ECBDRO [NH3+][C@H]1C[C@@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CCN2C1=O ZINC000566573014 439074524 /nfs/dbraw/zinc/07/45/24/439074524.db2.gz UWYFDLYJUOVARJ-NEPJUHHUSA-N 1 0 344.327 0.725 20 5 ECBDRO COCCN1CC[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000591734801 439078321 /nfs/dbraw/zinc/07/83/21/439078321.db2.gz HMGYANCBAMPSGM-HIFRSBDPSA-N 1 0 339.392 0.645 20 5 ECBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)N1CCCC[C@@H]1C ZINC000567690462 439166702 /nfs/dbraw/zinc/16/67/02/439166702.db2.gz BRGHSGXCNFSQPV-SGMGOOAPSA-N 1 0 339.396 0.531 20 5 ECBDRO COC1([C@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCOCC1 ZINC000567693057 439167658 /nfs/dbraw/zinc/16/76/58/439167658.db2.gz JOMKIQDPXALHEF-WCQYABFASA-N 1 0 328.369 0.326 20 5 ECBDRO O=C(CN1C(=O)N[C@]2(CCC[NH2+]C2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000592179445 439172081 /nfs/dbraw/zinc/17/20/81/439172081.db2.gz VZCWJTMOVNASEN-HNNXBMFYSA-N 1 0 332.316 0.452 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2nncn2-c2ccccc2)c1 ZINC000567345881 439132699 /nfs/dbraw/zinc/13/26/99/439132699.db2.gz XOGKWPGNEPFERG-AWEZNQCLSA-N 1 0 343.347 0.523 20 5 ECBDRO O=C(CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)N1CC[NH2+]CC1 ZINC000567362567 439136796 /nfs/dbraw/zinc/13/67/96/439136796.db2.gz IAGXUCGFAJKTSC-UHFFFAOYSA-N 1 0 347.375 0.094 20 5 ECBDRO CC(C)C[NH2+]C1(CO)CCN(Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602841041 439142940 /nfs/dbraw/zinc/14/29/40/439142940.db2.gz MSDYSLGEDXBVRB-UHFFFAOYSA-N 1 0 325.413 0.901 20 5 ECBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC(C[NH+](C)C)C1 ZINC000597707920 439164040 /nfs/dbraw/zinc/16/40/40/439164040.db2.gz JTXJINFISZYGDU-LLVKDONJSA-N 1 0 334.376 0.733 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCN1CCO[C@H](C)C1 ZINC000523747790 439178228 /nfs/dbraw/zinc/17/82/28/439178228.db2.gz JIMGQHLVCBOTKM-LLVKDONJSA-N 1 0 325.369 0.327 20 5 ECBDRO COc1cc(Cn2cnc3c(c2=O)CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000567810106 439180889 /nfs/dbraw/zinc/18/08/89/439180889.db2.gz LYPCCXXSACAIHR-UHFFFAOYSA-N 1 0 330.344 0.897 20 5 ECBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000592310766 439200040 /nfs/dbraw/zinc/20/00/40/439200040.db2.gz YMBAQVMOBLWPNH-XHDPSFHLSA-N 1 0 345.359 0.969 20 5 ECBDRO CCc1n[nH]c(C(=O)NCCN(C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000597989638 439206914 /nfs/dbraw/zinc/20/69/14/439206914.db2.gz HGPFGBNXQPJSRV-UHFFFAOYSA-N 1 0 326.401 0.494 20 5 ECBDRO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000597991811 439209143 /nfs/dbraw/zinc/20/91/43/439209143.db2.gz SFTUXRJRSBLPCS-CYBMUJFWSA-N 1 0 345.359 0.815 20 5 ECBDRO CC(C)[NH+]1CCC(NC(=O)Cn2cc([N+](=O)[O-])cc(F)c2=O)CC1 ZINC000568749198 439275759 /nfs/dbraw/zinc/27/57/59/439275759.db2.gz OQOGITIHRMVBHF-UHFFFAOYSA-N 1 0 340.355 0.885 20 5 ECBDRO CN(C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000592469628 439233638 /nfs/dbraw/zinc/23/36/38/439233638.db2.gz XIPXEOQIAIPIGK-CYBMUJFWSA-N 1 0 335.364 0.214 20 5 ECBDRO CN(CCN1CC[NH2+]CC1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000592469201 439234060 /nfs/dbraw/zinc/23/40/60/439234060.db2.gz KFSGJKSTHPUAMS-UHFFFAOYSA-N 1 0 332.364 0.448 20 5 ECBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000592469785 439234090 /nfs/dbraw/zinc/23/40/90/439234090.db2.gz ZOYJZYRZCATRIZ-UHFFFAOYSA-N 1 0 336.392 0.971 20 5 ECBDRO CN(CCN1CC[NH2+]CC1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000592469226 439234431 /nfs/dbraw/zinc/23/44/31/439234431.db2.gz LMMVWJYETBEVPR-UHFFFAOYSA-N 1 0 335.408 0.760 20 5 ECBDRO C[C@H]([NH3+])[C@@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCO1 ZINC000592475502 439236376 /nfs/dbraw/zinc/23/63/76/439236376.db2.gz LQDQGQZCUUQQDP-GLQYFDAESA-N 1 0 334.376 0.748 20 5 ECBDRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000592550087 439251374 /nfs/dbraw/zinc/25/13/74/439251374.db2.gz FKDPKCLVMHKYPR-SNVBAGLBSA-N 1 0 327.362 0.942 20 5 ECBDRO COc1c(C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)cccc1[N+](=O)[O-] ZINC000569235868 439315981 /nfs/dbraw/zinc/31/59/81/439315981.db2.gz RDSYMXHFKKIJOL-INIZCTEOSA-N 1 0 335.360 0.790 20 5 ECBDRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598915738 439327414 /nfs/dbraw/zinc/32/74/14/439327414.db2.gz NSVKYCPYVRPCFW-CABZTGNLSA-N 1 0 336.348 0.763 20 5 ECBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc(=O)n2nc(N)[nH]c2n1 ZINC000598614894 439289316 /nfs/dbraw/zinc/28/93/16/439289316.db2.gz OCTQPBCUZGCFFK-UHFFFAOYSA-N 1 0 343.347 0.413 20 5 ECBDRO O=C(NCC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)Nc1cccc([N+](=O)[O-])c1 ZINC000598664959 439299806 /nfs/dbraw/zinc/29/98/06/439299806.db2.gz LDXWBLPNBWQDFX-PHIMTYICSA-N 1 0 333.348 0.394 20 5 ECBDRO O=C(CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)N1CC[NH2+]CC1 ZINC000569204161 439310635 /nfs/dbraw/zinc/31/06/35/439310635.db2.gz CGJXQPQAOZWDEL-UHFFFAOYSA-N 1 0 347.375 0.094 20 5 ECBDRO C[NH2+]CCOCCN(C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000599108207 439360529 /nfs/dbraw/zinc/36/05/29/439360529.db2.gz SRVBOCRSXKLWFV-UHFFFAOYSA-N 1 0 331.394 0.592 20 5 ECBDRO C[NH2+]CCOCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000599108385 439360656 /nfs/dbraw/zinc/36/06/56/439360656.db2.gz XIXRAXCBXUOSLV-UHFFFAOYSA-N 1 0 333.366 0.118 20 5 ECBDRO COC(=O)COc1ccc(C[NH2+][C@H]2C[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000599003733 439340833 /nfs/dbraw/zinc/34/08/33/439340833.db2.gz NAHHBGZVDVIJID-XYPYZODXSA-N 1 0 337.332 0.500 20 5 ECBDRO Cc1ccc(S(=O)(=O)NCC2([NH3+])CCOCC2)c(C)c1[N+](=O)[O-] ZINC000599101041 439356684 /nfs/dbraw/zinc/35/66/84/439356684.db2.gz HAMTZVHVEJZDGM-UHFFFAOYSA-N 1 0 343.405 0.998 20 5 ECBDRO C[C@@H]1CCCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H]1CCC[NH3+] ZINC000599103142 439357109 /nfs/dbraw/zinc/35/71/09/439357109.db2.gz VYXDJUKQRQKBPX-GHMZBOCLSA-N 1 0 345.425 0.856 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@H+](CC3CC3)C2)n1 ZINC000599228920 439391064 /nfs/dbraw/zinc/39/10/64/439391064.db2.gz NOAFMSUBMJBJHM-JTQLQIEISA-N 1 0 329.382 0.091 20 5 ECBDRO COc1ccc(OCCN2C[C@H](O)[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000570105177 439393702 /nfs/dbraw/zinc/39/37/02/439393702.db2.gz WTTMDJJWEJOHFQ-KBPBESRZSA-N 1 0 325.365 0.589 20 5 ECBDRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000583058892 439413747 /nfs/dbraw/zinc/41/37/47/439413747.db2.gz CRACIGKBSPDGLI-ZDUSSCGKSA-N 1 0 345.359 0.815 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(C)(C)C[NH+]2CCCC2)n1 ZINC000599328639 439435187 /nfs/dbraw/zinc/43/51/87/439435187.db2.gz BVOMBVPFRIBEPV-UHFFFAOYSA-N 1 0 331.398 0.481 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@H]2C[NH+](C)C)n1 ZINC000599351012 439444458 /nfs/dbraw/zinc/44/44/58/439444458.db2.gz UQQBVRKMCSELTP-SNVBAGLBSA-N 1 0 331.398 0.433 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2nnc3n2CCC3)c1 ZINC000583559956 439480560 /nfs/dbraw/zinc/48/05/60/439480560.db2.gz POVJVUJUAMCTNV-GFCCVEGCSA-N 1 0 333.348 0.662 20 5 ECBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000593919042 439495066 /nfs/dbraw/zinc/49/50/66/439495066.db2.gz MFBVTPAKIYQUSM-XBFCOCLRSA-N 1 0 337.380 0.679 20 5 ECBDRO Cc1c(C[NH2+]CC2(O)CCS(=O)(=O)CC2)cccc1[N+](=O)[O-] ZINC000583867573 439520651 /nfs/dbraw/zinc/52/06/51/439520651.db2.gz SFLNRNXTIHVWAN-UHFFFAOYSA-N 1 0 328.390 0.933 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H](CO)CN1CCCC1 ZINC000583871907 439522871 /nfs/dbraw/zinc/52/28/71/439522871.db2.gz HYNUOGPNGHUWIL-UONOGXRCSA-N 1 0 339.392 0.381 20 5 ECBDRO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000599688668 439535977 /nfs/dbraw/zinc/53/59/77/439535977.db2.gz LIKNIWLONFCOMD-OPDFLTKYSA-N 1 0 340.380 0.814 20 5 ECBDRO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594316267 439540658 /nfs/dbraw/zinc/54/06/58/439540658.db2.gz UPZFSCQLYPYIDS-QWHCGFSZSA-N 1 0 348.359 0.119 20 5 ECBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594420430 439557798 /nfs/dbraw/zinc/55/77/98/439557798.db2.gz TVCMXVXUYQDXMZ-OLZOCXBDSA-N 1 0 334.376 0.890 20 5 ECBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000609359029 439566965 /nfs/dbraw/zinc/56/69/65/439566965.db2.gz LFHAKAJFPZSRPT-AWEZNQCLSA-N 1 0 349.391 0.734 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000599894979 439570977 /nfs/dbraw/zinc/57/09/77/439570977.db2.gz AMTBCJFYSSYMHF-ZJUUUORDSA-N 1 0 336.348 0.799 20 5 ECBDRO Cc1c(NC(=O)C(=O)NC2(C[NH3+])CCOCC2)cccc1[N+](=O)[O-] ZINC000599898238 439572662 /nfs/dbraw/zinc/57/26/62/439572662.db2.gz PUOAWEDHGHNXIK-UHFFFAOYSA-N 1 0 336.348 0.466 20 5 ECBDRO [NH3+]CCCOCCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000599918888 439575610 /nfs/dbraw/zinc/57/56/10/439575610.db2.gz RZBAGTIOGSSNGQ-UHFFFAOYSA-N 1 0 336.352 0.636 20 5 ECBDRO C[C@H]1CC[C@H](NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C[NH2+]1 ZINC000599933497 439576761 /nfs/dbraw/zinc/57/67/61/439576761.db2.gz KNWNFEJSNTZGIL-STQMWFEESA-N 1 0 348.407 0.962 20 5 ECBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000599938028 439578918 /nfs/dbraw/zinc/57/89/18/439578918.db2.gz KOYNKXOLQKJXCX-STQMWFEESA-N 1 0 335.360 0.641 20 5 ECBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000599938519 439580894 /nfs/dbraw/zinc/58/08/94/439580894.db2.gz CKHOHOSNAYVOLF-KGLIPLIRSA-N 1 0 337.351 0.944 20 5 ECBDRO Cc1[nH]nc(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1[N+](=O)[O-] ZINC000609664904 439582547 /nfs/dbraw/zinc/58/25/47/439582547.db2.gz MPJBIYJEQBRXSG-GFCCVEGCSA-N 1 0 336.396 0.478 20 5 ECBDRO [NH3+][C@H]1C[C@H]2CN(c3ccc([N+](=O)[O-])c4cnccc43)CCN2C1=O ZINC000594694864 439591480 /nfs/dbraw/zinc/59/14/80/439591480.db2.gz WQDMGBTWPDYMSK-GWCFXTLKSA-N 1 0 327.344 0.891 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2cnc(C(F)(F)F)nc2)c1 ZINC000594718818 439595170 /nfs/dbraw/zinc/59/51/70/439595170.db2.gz VDXWGJRYGYXXAY-JTQLQIEISA-N 1 0 346.269 0.751 20 5 ECBDRO CN1C[C@H]([N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])CCC1=O ZINC000572682260 439600966 /nfs/dbraw/zinc/60/09/66/439600966.db2.gz KGEJNYFHOSCEPG-OLZOCXBDSA-N 1 0 337.376 0.887 20 5 ECBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000572856913 439613298 /nfs/dbraw/zinc/61/32/98/439613298.db2.gz HTJDQUNAGSIXFO-RYUDHWBXSA-N 1 0 347.375 0.987 20 5 ECBDRO O=C(NCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000584776279 439615293 /nfs/dbraw/zinc/61/52/93/439615293.db2.gz RHLRJMRKFCIVJG-AWEZNQCLSA-N 1 0 333.348 0.172 20 5 ECBDRO C[NH2+]C[C@H](C)NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000595122061 439656908 /nfs/dbraw/zinc/65/69/08/439656908.db2.gz PUAOODOIJAKNPZ-QMMMGPOBSA-N 1 0 331.350 0.252 20 5 ECBDRO CN1CCOC[C@@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000600757801 439701630 /nfs/dbraw/zinc/70/16/30/439701630.db2.gz SYGYJJYJYXLTID-ZDUSSCGKSA-N 1 0 343.405 0.289 20 5 ECBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600808698 439704645 /nfs/dbraw/zinc/70/46/45/439704645.db2.gz PPYMMKWBIIUPEF-AWEZNQCLSA-N 1 0 345.359 0.577 20 5 ECBDRO CN(C[C@H](O)CN1CCOCC1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611705771 439723270 /nfs/dbraw/zinc/72/32/70/439723270.db2.gz BKJLIXCSZJMKER-ZDUSSCGKSA-N 1 0 347.375 0.667 20 5 ECBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1nnnn1C ZINC000611327554 439692225 /nfs/dbraw/zinc/69/22/25/439692225.db2.gz JAZPKFJELNRSTK-JTQLQIEISA-N 1 0 333.352 0.668 20 5 ECBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000616029077 439810869 /nfs/dbraw/zinc/81/08/69/439810869.db2.gz XAYFEYPPBQDQIC-ZIAGYGMSSA-N 1 0 334.376 0.924 20 5 ECBDRO CNS(=O)(=O)c1ccc(N(C)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000180108355 320524378 /nfs/dbraw/zinc/52/43/78/320524378.db2.gz XPGYUTGFQXWTEF-UHFFFAOYSA-N 1 0 330.410 0.891 20 5 ECBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000287133316 320644140 /nfs/dbraw/zinc/64/41/40/320644140.db2.gz MUJOJJQDNYGZJQ-GXTWGEPZSA-N 1 0 334.376 0.842 20 5 ECBDRO C[NH+](C)[C@@]1(CNc2nccc(C(N)=O)c2[N+](=O)[O-])CCSC1 ZINC000290731137 320688558 /nfs/dbraw/zinc/68/85/58/320688558.db2.gz FXOJERRUUMSTNE-CYBMUJFWSA-N 1 0 325.394 0.938 20 5 ECBDRO O=C1CC[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C2CC2)N1 ZINC000342042549 321073201 /nfs/dbraw/zinc/07/32/01/321073201.db2.gz CYSSQSRZVJOBEQ-IGCXYCKISA-N 1 0 349.387 0.981 20 5 ECBDRO Cc1nn(C)c(C(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000347218365 321234191 /nfs/dbraw/zinc/23/41/91/321234191.db2.gz HUKVRSGCZNMXTF-JTQLQIEISA-N 1 0 325.369 0.165 20 5 ECBDRO CC(C)[C@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)N1CC[NH+](C)CC1 ZINC000347515726 321242671 /nfs/dbraw/zinc/24/26/71/321242671.db2.gz GZWXCGVJCSOQLR-LBPRGKRZSA-N 1 0 338.412 0.330 20 5 ECBDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000352108367 321349381 /nfs/dbraw/zinc/34/93/81/321349381.db2.gz XNCXBQOQSWYFKQ-OAHLLOKOSA-N 1 0 325.365 0.793 20 5 ECBDRO Cc1c(Br)c(=O)n(CCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000566185173 322510093 /nfs/dbraw/zinc/51/00/93/322510093.db2.gz ZBHCIKQMFBXBJM-UHFFFAOYSA-N 1 0 345.197 0.733 20 5 ECBDRO Cc1ccn2cc(C[NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)nc2c1 ZINC000567681210 322592359 /nfs/dbraw/zinc/59/23/59/322592359.db2.gz MAMXMDQHIBMDOO-CQSZACIVSA-N 1 0 330.348 0.898 20 5 ECBDRO C[NH+](C)[C@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1O ZINC000568349895 322624899 /nfs/dbraw/zinc/62/48/99/322624899.db2.gz LBCCHSTWKYMWLB-STQMWFEESA-N 1 0 333.348 0.752 20 5 ECBDRO [NH3+][C@H]1C[C@@H]2CN(C(=O)NCCc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000569943149 322670530 /nfs/dbraw/zinc/67/05/30/322670530.db2.gz VSUFOHGRTOQECM-KGLIPLIRSA-N 1 0 347.375 0.091 20 5 ECBDRO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000571633965 322727937 /nfs/dbraw/zinc/72/79/37/322727937.db2.gz GIGACSIMBSCNOE-CHWSQXEVSA-N 1 0 349.395 0.992 20 5 ECBDRO Cc1ncc2c(n1)CC[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000577275040 322830609 /nfs/dbraw/zinc/83/06/09/322830609.db2.gz HIRRDKODLBPKEN-OCCSQVGLSA-N 1 0 332.364 0.398 20 5 ECBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000578133823 322855978 /nfs/dbraw/zinc/85/59/78/322855978.db2.gz VJOXZSLNEGMMKU-VHSXEESVSA-N 1 0 344.393 0.115 20 5 ECBDRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000171533732 534634778 /nfs/dbraw/zinc/63/47/78/534634778.db2.gz NLFKRFRYJIVQOD-VIFPVBQESA-N 1 0 326.378 0.583 20 5 ECBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000264899240 535705701 /nfs/dbraw/zinc/70/57/01/535705701.db2.gz LCAZYYNKXXMBQN-NSHDSACASA-N 1 0 338.412 0.630 20 5 ECBDRO CN1CC[N@H+](C)C[C@@H]1CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736864126 578458956 /nfs/dbraw/zinc/45/89/56/578458956.db2.gz PITRCLXGZCJZPE-NSHDSACASA-N 1 0 332.368 0.433 20 5 ECBDRO O=C(C[NH2+][C@H](CO)C1CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000771812779 579195738 /nfs/dbraw/zinc/19/57/38/579195738.db2.gz JQSULUYQUFVHTA-MRXNPFEDSA-N 1 0 348.403 0.604 20 5 ECBDRO Cc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c(N)c([N+](=O)[O-])c1 ZINC000774273336 579244805 /nfs/dbraw/zinc/24/48/05/579244805.db2.gz HHOYGAJGHAULOY-GFCCVEGCSA-N 1 0 333.392 0.605 20 5 ECBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+](CCO)CCN2CCOCC2)cc1 ZINC000776591238 579285319 /nfs/dbraw/zinc/28/53/19/579285319.db2.gz HYQDLMDUHAURCL-MRXNPFEDSA-N 1 0 339.392 0.255 20 5 ECBDRO NS(=O)(=O)C1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776595289 579285594 /nfs/dbraw/zinc/28/55/94/579285594.db2.gz GZHBWFDLJHEBNX-ZDUSSCGKSA-N 1 0 329.378 0.381 20 5 ECBDRO Cc1cc(S(=O)(=O)NC[C@H]2C[NH2+]CCO2)cc([N+](=O)[O-])c1F ZINC000842483358 589032140 /nfs/dbraw/zinc/03/21/40/589032140.db2.gz KDIDMRPUEGHMBV-SECBINFHSA-N 1 0 333.341 0.309 20 5 ECBDRO COc1c(O)ccc(CN2CC[NH+](C[C@@H](C)O)CC2)c1[N+](=O)[O-] ZINC000891926273 586206083 /nfs/dbraw/zinc/20/60/83/586206083.db2.gz WXCKQNHTIWGSTB-LLVKDONJSA-N 1 0 325.365 0.807 20 5 ECBDRO Cn1cc(C[C@@H](CO)C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000843111610 589050967 /nfs/dbraw/zinc/05/09/67/589050967.db2.gz HKWAJUUBPGGXJR-CJNGLKHVSA-N 1 0 334.376 0.803 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2COc3ccccc3[C@H]2O)c1 ZINC000843114699 589051301 /nfs/dbraw/zinc/05/13/01/589051301.db2.gz FRNAUPHNBFLZMV-UXIGCNINSA-N 1 0 334.332 0.236 20 5 ECBDRO COCC[C@@H]1C[NH2+]CCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000903830672 586818559 /nfs/dbraw/zinc/81/85/59/586818559.db2.gz HVIUEYKKXJWMQI-OAHLLOKOSA-N 1 0 348.403 0.794 20 5 ECBDRO COC[C@H]1C[NH2+]CCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000903877845 586822508 /nfs/dbraw/zinc/82/25/08/586822508.db2.gz YDPRICQXGSVRCO-CQSZACIVSA-N 1 0 334.376 0.404 20 5 ECBDRO COC[C@@H]1C[NH2+]CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000903882117 586822815 /nfs/dbraw/zinc/82/28/15/586822815.db2.gz WPWUCOIQVOBZTM-LBPRGKRZSA-N 1 0 340.355 0.983 20 5 ECBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC(O)(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000843502081 589073462 /nfs/dbraw/zinc/07/34/62/589073462.db2.gz XLOXPHXJPJSXMA-UHFFFAOYSA-N 1 0 338.320 0.737 20 5 ECBDRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000843476351 589070217 /nfs/dbraw/zinc/07/02/17/589070217.db2.gz DJMCCNHEMDTDGL-LBPRGKRZSA-N 1 0 325.296 0.711 20 5 ECBDRO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839720176 586890029 /nfs/dbraw/zinc/89/00/29/586890029.db2.gz ICSBCPIHVQUEJK-XUWVNRHRSA-N 1 0 333.388 0.651 20 5 ECBDRO CN(C)[C@@H](CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(F)(F)F ZINC000905577604 586903591 /nfs/dbraw/zinc/90/35/91/586903591.db2.gz XVEBKJFJFDQDRF-MNOVXSKESA-N 1 0 339.318 0.624 20 5 ECBDRO C[NH+](C)C[C@H](CO)NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000808174710 587147567 /nfs/dbraw/zinc/14/75/67/587147567.db2.gz OHKKAOZOUGAMIB-QMTHXVAHSA-N 1 0 336.348 0.127 20 5 ECBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000844037814 589090741 /nfs/dbraw/zinc/09/07/41/589090741.db2.gz VHHWKHYHPQMOEW-SNVBAGLBSA-N 1 0 338.339 0.926 20 5 ECBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000844042907 589091049 /nfs/dbraw/zinc/09/10/49/589091049.db2.gz XGIQDTPELJKDER-JTQLQIEISA-N 1 0 335.364 0.369 20 5 ECBDRO CS(=O)(=O)N1CC[C@@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819187112 587471829 /nfs/dbraw/zinc/47/18/29/587471829.db2.gz AUIWASALJBUHLH-FZMZJTMJSA-N 1 0 343.405 0.499 20 5 ECBDRO Cn1nccc1CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000819232849 587473586 /nfs/dbraw/zinc/47/35/86/587473586.db2.gz IUMWVGUBIARNJQ-UHFFFAOYSA-N 1 0 338.389 0.934 20 5 ECBDRO CC(C)NS(=O)(=O)NCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819264390 587474907 /nfs/dbraw/zinc/47/49/07/587474907.db2.gz SPLYPAPKJUFWBI-ZDUSSCGKSA-N 1 0 346.409 0.050 20 5 ECBDRO CN(CC(=O)N[C@H](CO)C[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000819837813 587493012 /nfs/dbraw/zinc/49/30/12/587493012.db2.gz SGQKWISAMRVGDV-ZDUSSCGKSA-N 1 0 336.392 0.604 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1-c1noc(-c2cn([C@H]3CCC[NH2+]C3)nn2)n1 ZINC000823087643 587701779 /nfs/dbraw/zinc/70/17/79/587701779.db2.gz DFEMOPKFURLVMX-QMMMGPOBSA-N 1 0 345.323 0.561 20 5 ECBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000823620467 587734457 /nfs/dbraw/zinc/73/44/57/587734457.db2.gz LGEFMGHJSGBORA-SNVBAGLBSA-N 1 0 330.352 0.844 20 5 ECBDRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825747376 587959014 /nfs/dbraw/zinc/95/90/14/587959014.db2.gz UPFVGZKIKYEBLL-DZGCQCFKSA-N 1 0 337.376 0.855 20 5 ECBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848307744 589288001 /nfs/dbraw/zinc/28/80/01/589288001.db2.gz MLZRMIOLOCECJU-QWHCGFSZSA-N 1 0 334.376 0.552 20 5 ECBDRO CN1CCC[NH+]=C1NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000849111458 589320791 /nfs/dbraw/zinc/32/07/91/589320791.db2.gz OTLQRFQDXJQJSS-UHFFFAOYSA-N 1 0 341.393 0.154 20 5 ECBDRO O=C(CN1CCC(CO)(CO)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000852628275 589503544 /nfs/dbraw/zinc/50/35/44/589503544.db2.gz CHMUVKXOBCTJCI-UHFFFAOYSA-N 1 0 343.767 0.863 20 5 ECBDRO CC(C)C[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000854632437 589597355 /nfs/dbraw/zinc/59/73/55/589597355.db2.gz MGMHPQVAWNVVGW-YIYPIFLZSA-N 1 0 340.424 0.345 20 5 ECBDRO Cc1c(CO)cc([N+](=O)[O-])c(NCC[N@@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000858867343 589779645 /nfs/dbraw/zinc/77/96/45/589779645.db2.gz NEZVGKAZPIBHPT-NSHDSACASA-N 1 0 340.336 0.782 20 5 ECBDRO O=C(NC[C@H]1COCC[NH2+]1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000861682193 589873338 /nfs/dbraw/zinc/87/33/38/589873338.db2.gz WRFFGPGEZWMURL-ZDUSSCGKSA-N 1 0 349.391 0.415 20 5 ECBDRO C[C@]12C[NH2+]C[C@H]1CN(S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C2 ZINC000871812653 590089126 /nfs/dbraw/zinc/08/91/26/590089126.db2.gz JJIXPNBLYONCDC-TVQRCGJNSA-N 1 0 329.353 0.964 20 5 ECBDRO O=C(C[NH+]1CCCC1)N1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885985839 590784562 /nfs/dbraw/zinc/78/45/62/590784562.db2.gz SDKXDYBRNYVJJV-UHFFFAOYSA-N 1 0 333.392 0.730 20 5 ECBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NCCC[N@@H+](C)CCN(C)C ZINC000936010048 611424818 /nfs/dbraw/zinc/42/48/18/611424818.db2.gz ULIBIXDKYBUGKY-UHFFFAOYSA-N 1 0 326.401 0.099 20 5 ECBDRO CC(C)(C)OC(=O)N1CCN([C@H]2CC[N@H+](CC[N+](=O)[O-])C2)CC1 ZINC000930473675 611432176 /nfs/dbraw/zinc/43/21/76/611432176.db2.gz VSCJSGXESTYRLM-ZDUSSCGKSA-N 1 0 328.413 0.890 20 5 ECBDRO C[N@@H+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1CO ZINC000931403898 611536629 /nfs/dbraw/zinc/53/66/29/611536629.db2.gz QLWULYFSMKFWLL-LBPRGKRZSA-N 1 0 340.355 0.671 20 5 ECBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000932714445 611658580 /nfs/dbraw/zinc/65/85/80/611658580.db2.gz IEAJRWIEOSHJMM-LBPRGKRZSA-N 1 0 338.412 0.099 20 5 ECBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928092207 611672917 /nfs/dbraw/zinc/67/29/17/611672917.db2.gz GZFCXPCXQANSBB-QWRGUYRKSA-N 1 0 325.394 0.487 20 5 ECBDRO C[NH+]1CCC2(CCN2S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000907853972 609626088 /nfs/dbraw/zinc/62/60/88/609626088.db2.gz QQBWPQLVNWWPKY-UHFFFAOYSA-N 1 0 326.378 0.849 20 5 ECBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCCN1CC[NH2+]CC1 ZINC000237768406 609900714 /nfs/dbraw/zinc/90/07/14/609900714.db2.gz UDCLCEIKXARCPP-UHFFFAOYSA-N 1 0 348.812 0.432 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[NH2+]C[C@H]2c2cccc(F)c2)c1 ZINC000923350782 611232588 /nfs/dbraw/zinc/23/25/88/611232588.db2.gz OJGRWMXZZBGCGW-CVEARBPZSA-N 1 0 349.366 0.938 20 5 ECBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@H]2C[NH2+]CCO2)c1 ZINC000842483677 611313617 /nfs/dbraw/zinc/31/36/17/611313617.db2.gz PZXDAROLJRQXDX-SECBINFHSA-N 1 0 349.796 0.823 20 5 ECBDRO CN(CC[NH3+])S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000842485823 611313736 /nfs/dbraw/zinc/31/37/36/611313736.db2.gz NCOASOHJTIZGEC-UHFFFAOYSA-N 1 0 338.183 0.937 20 5 ECBDRO COC(=O)c1cc([N+](=O)[O-])c(-n2c(C)ncc(C[NH3+])c2=N)cc1OC ZINC001167675541 737133291 /nfs/dbraw/zinc/13/32/91/737133291.db2.gz MUKBKROHIIFHHY-UHFFFAOYSA-N 1 0 347.331 0.822 20 5 ECBDRO Cc1nn[nH]c1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001025933481 740262137 /nfs/dbraw/zinc/26/21/37/740262137.db2.gz SHWFFLGPFDRSFV-NHAGDIPZSA-N 1 0 342.359 0.882 20 5 ECBDRO O=C(N[C@H]1C[C@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1)C12CC[NH+](CC1)C2 ZINC001059265971 745517906 /nfs/dbraw/zinc/51/79/06/745517906.db2.gz MQDDZWQRZQEKKY-XYPYZODXSA-N 1 0 347.375 0.850 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000984586271 746679119 /nfs/dbraw/zinc/67/91/19/746679119.db2.gz UOQQXSUWWBHATA-SIHWPTBPSA-N 1 0 349.391 0.205 20 5 ECBDRO O=C(Cn1ncnn1)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001002818530 747828872 /nfs/dbraw/zinc/82/88/72/747828872.db2.gz MPWCJXBPXTXRPA-UHFFFAOYSA-N 1 0 345.363 0.362 20 5 ECBDRO Cc1ncc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC000985425213 747972773 /nfs/dbraw/zinc/97/27/73/747972773.db2.gz DAIGEVMSPVZZJH-HUUCEWRRSA-N 1 0 333.392 0.873 20 5 ECBDRO COc1nccc(C[N@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC000985431546 747998241 /nfs/dbraw/zinc/99/82/41/747998241.db2.gz QVYXJWFZUPXAKQ-ZIAGYGMSSA-N 1 0 349.391 0.573 20 5 ECBDRO Cn1cncc1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001020930363 752353636 /nfs/dbraw/zinc/35/36/36/752353636.db2.gz PSUFHARWUXNAKE-XYPYZODXSA-N 1 0 347.379 0.041 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(F)F)C1 ZINC000982986873 754365226 /nfs/dbraw/zinc/36/52/26/754365226.db2.gz AHGIJEIHJMVWFX-KYZUINATSA-N 1 0 331.323 0.968 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C[C@H]1C[C@H](NC(=O)Cn2cccn2)C1 ZINC000983163255 754752157 /nfs/dbraw/zinc/75/21/57/754752157.db2.gz LAUGQGOEWHUDMS-HAQNSBGRSA-N 1 0 347.379 0.209 20 5 ECBDRO COc1ccccc1NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936950 756767630 /nfs/dbraw/zinc/76/76/30/756767630.db2.gz YGXUIXMCJMZKIJ-ZYHUDNBSSA-N 1 0 336.348 0.005 20 5 ECBDRO Cn1nc(C(F)(F)F)cc1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126938476 756799588 /nfs/dbraw/zinc/79/95/88/756799588.db2.gz AOYQGIRPWCTCFD-RKDXNWHRSA-N 1 0 335.286 0.310 20 5 ECBDRO CCc1cccc(C)c1NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126942602 756899945 /nfs/dbraw/zinc/89/99/45/756899945.db2.gz CJVNFMBCKSQMFY-ZIAGYGMSSA-N 1 0 348.403 0.867 20 5 ECBDRO COc1ncc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)n1 ZINC000996428831 757654499 /nfs/dbraw/zinc/65/44/99/757654499.db2.gz IPFHLQOTJCPMJV-ZIAGYGMSSA-N 1 0 349.391 0.539 20 5 ECBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2ccc3nonc3c2)CC1 ZINC000996430108 757658593 /nfs/dbraw/zinc/65/85/93/757658593.db2.gz ZVMJOJXGOOHMHU-IUODEOHRSA-N 1 0 345.359 0.969 20 5 ECBDRO O=C(Cn1ncnn1)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000996534190 757910846 /nfs/dbraw/zinc/91/08/46/757910846.db2.gz MYJRIRPLIJCEBW-UHFFFAOYSA-N 1 0 345.363 0.362 20 5 ECBDRO Cc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1C1CC1 ZINC001022064060 758228146 /nfs/dbraw/zinc/22/81/46/758228146.db2.gz SYUAZFATPRXXIB-LYIQGSDWSA-N 1 0 334.380 0.323 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)c2cnns2)C1 ZINC001020005049 772068248 /nfs/dbraw/zinc/06/82/48/772068248.db2.gz GLYJRNZNJPPOEA-ZKCHVHJHSA-N 1 0 337.365 0.230 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)c2ccnc(F)c2)C1 ZINC001020019157 772079185 /nfs/dbraw/zinc/07/91/85/772079185.db2.gz VLZSSENEAOOLSB-XYPYZODXSA-N 1 0 348.338 0.913 20 5 ECBDRO O=C(CN1CN=NC1=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001020087572 772142636 /nfs/dbraw/zinc/14/26/36/772142636.db2.gz HVUPGZSXJNOUHT-HAQNSBGRSA-N 1 0 346.347 0.329 20 5 ECBDRO CC(C)(C)n1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1 ZINC001020140076 772208020 /nfs/dbraw/zinc/20/80/20/772208020.db2.gz XCCIOAIUMMHUAK-FPQZTECRSA-N 1 0 336.396 0.435 20 5 ECBDRO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(C(N)=O)c[nH]1 ZINC001267447497 837429487 /nfs/dbraw/zinc/42/94/87/837429487.db2.gz UAXWCCPSJKJUCK-UHFFFAOYSA-N 1 0 345.359 0.884 20 5 ECBDRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000354679857 299094671 /nfs/dbraw/zinc/09/46/71/299094671.db2.gz RJDKIUYDQJHERL-OAHLLOKOSA-N 1 0 346.387 0.738 20 5 ECBDRO CC[N@H+](CCNC(=O)Cn1cnc([N+](=O)[O-])n1)CCC(F)(F)F ZINC000427427947 210199304 /nfs/dbraw/zinc/19/93/04/210199304.db2.gz KWQDMHGZSMMWRU-UHFFFAOYSA-N 1 0 338.290 0.577 20 5 ECBDRO C[NH2+][C@@H]1CCCN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000133002372 530044575 /nfs/dbraw/zinc/04/45/75/530044575.db2.gz QKGMHPHNPZJFSL-WCQYABFASA-N 1 0 334.376 0.924 20 5 ECBDRO C[NH+]1CCN(CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 ZINC000181302654 530071985 /nfs/dbraw/zinc/07/19/85/530071985.db2.gz QYBSQQGJCPSRSA-UHFFFAOYSA-N 1 0 332.360 0.828 20 5 ECBDRO COc1cc(C(=O)NCCCN2CC[NH2+]CC2)cc([N+](=O)[O-])c1C ZINC000422695542 209652589 /nfs/dbraw/zinc/65/25/89/209652589.db2.gz PYLJUDSJPDAHQA-UHFFFAOYSA-N 1 0 336.392 0.937 20 5 ECBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000419045555 283503977 /nfs/dbraw/zinc/50/39/77/283503977.db2.gz WMCSAEHEKONNPC-ZIAGYGMSSA-N 1 0 348.403 0.887 20 5 ECBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420348463 209354164 /nfs/dbraw/zinc/35/41/64/209354164.db2.gz LXJIEDMJMVHUPO-CZUORRHYSA-N 1 0 347.419 0.901 20 5 ECBDRO Cc1nc(NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000420234313 209344505 /nfs/dbraw/zinc/34/45/05/209344505.db2.gz BHMOAMANTWOLAX-SNVBAGLBSA-N 1 0 334.302 0.941 20 5 ECBDRO [NH3+]C[C@@H](NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000420055420 209292162 /nfs/dbraw/zinc/29/21/62/209292162.db2.gz GQWLPJVYCJIPCL-CQSZACIVSA-N 1 0 346.387 0.939 20 5 ECBDRO COCC[N@H+]1[C@H](C)CN(c2ncc([N+](=O)[O-])cc2C(N)=O)C[C@@H]1C ZINC000131961875 223287762 /nfs/dbraw/zinc/28/77/62/223287762.db2.gz IYSBUTPRNUXWAF-PHIMTYICSA-N 1 0 337.380 0.634 20 5 ECBDRO O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000420003181 209274397 /nfs/dbraw/zinc/27/43/97/209274397.db2.gz SQFBGHIVWNAXBF-CQSZACIVSA-N 1 0 346.387 0.738 20 5 ECBDRO [NH3+][C@@H](CNC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000419867928 209231054 /nfs/dbraw/zinc/23/10/54/209231054.db2.gz QWIMLGOJBJRARC-HNNXBMFYSA-N 1 0 346.387 0.939 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000419757836 209198817 /nfs/dbraw/zinc/19/88/17/209198817.db2.gz IZBHJJYQTWXIIJ-KRWDZBQOSA-N 1 0 346.387 0.731 20 5 ECBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)C[C@H]12 ZINC000248650296 243600896 /nfs/dbraw/zinc/60/08/96/243600896.db2.gz UQWKMKITUQTEDG-LEWSCRJBSA-N 1 0 342.359 0.985 20 5 ECBDRO C[C@H](C[NH3+])N(C)C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262598499 245053749 /nfs/dbraw/zinc/05/37/49/245053749.db2.gz LTEJRYSAXLGCCK-SNVBAGLBSA-N 1 0 344.393 0.021 20 5 ECBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000262719029 245142042 /nfs/dbraw/zinc/14/20/42/245142042.db2.gz FECQNTVWYYHBGT-NOZJJQNGSA-N 1 0 341.389 0.726 20 5 ECBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])c(NC)n3)[C@H]2C1 ZINC000456035612 211637334 /nfs/dbraw/zinc/63/73/34/211637334.db2.gz RTGYLEAXECONNQ-UONOGXRCSA-N 1 0 349.391 0.967 20 5 ECBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000264896605 247021886 /nfs/dbraw/zinc/02/18/86/247021886.db2.gz WJICSURVJCQLLM-CQSZACIVSA-N 1 0 335.408 0.982 20 5 ECBDRO COCC[N@@H+]1CC[C@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000266320196 248245867 /nfs/dbraw/zinc/24/58/67/248245867.db2.gz HYTLEESAIPHQPY-ZDUSSCGKSA-N 1 0 336.392 0.868 20 5 ECBDRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000266626307 248388533 /nfs/dbraw/zinc/38/85/33/248388533.db2.gz JEBDGUMWYJRYHV-GFCCVEGCSA-N 1 0 336.348 0.370 20 5 ECBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCOC[C@@H](O)C1 ZINC000451231473 211369547 /nfs/dbraw/zinc/36/95/47/211369547.db2.gz CXRVUQQSHGTAAJ-LBPRGKRZSA-N 1 0 337.332 0.586 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449738448 211295954 /nfs/dbraw/zinc/29/59/54/211295954.db2.gz BYWAHFPYDXAMHG-SUHUHFCYSA-N 1 0 332.360 0.533 20 5 ECBDRO O=C(C[NH2+][C@@H](CO)[C@H]1CCCO1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000447901065 211213527 /nfs/dbraw/zinc/21/35/27/211213527.db2.gz AYFYWKRRISKOAA-DZGCQCFKSA-N 1 0 335.360 0.613 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H](CO)[C@H]2CCCO2)cc1 ZINC000447901103 211213065 /nfs/dbraw/zinc/21/30/65/211213065.db2.gz GCDHVZWQACOZRU-ZIAGYGMSSA-N 1 0 344.389 0.498 20 5 ECBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000446407406 211143652 /nfs/dbraw/zinc/14/36/52/211143652.db2.gz ASUWMKWHTGHTPZ-WDEREUQCSA-N 1 0 348.359 0.706 20 5 ECBDRO CC(=O)N1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000268687902 252139103 /nfs/dbraw/zinc/13/91/03/252139103.db2.gz OCUAAUJQMJOBBZ-IUODEOHRSA-N 1 0 337.376 0.887 20 5 ECBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000430626869 210392821 /nfs/dbraw/zinc/39/28/21/210392821.db2.gz MMFBINFYWLNEGK-LBPRGKRZSA-N 1 0 349.391 0.285 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000415781527 208579173 /nfs/dbraw/zinc/57/91/73/208579173.db2.gz MQOWBNGVCFJSCB-PWSUYJOCSA-N 1 0 348.359 0.752 20 5 ECBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000429028702 210294627 /nfs/dbraw/zinc/29/46/27/210294627.db2.gz CRQXNRJNAVLYOE-LUYZLQTOSA-N 1 0 337.424 0.814 20 5 ECBDRO C[C@@H](NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000419046377 208959386 /nfs/dbraw/zinc/95/93/86/208959386.db2.gz XXMZXMPJLDTYHK-TZMCWYRMSA-N 1 0 348.403 0.758 20 5 ECBDRO C[C@H](NC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000419153727 209003264 /nfs/dbraw/zinc/00/32/64/209003264.db2.gz QBXVRTJTVUNUFY-XQQFMLRXSA-N 1 0 346.387 0.840 20 5 ECBDRO O=C1OCCN1CCC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000496258975 255085901 /nfs/dbraw/zinc/08/59/01/255085901.db2.gz XARBJRJSRAWALL-ZDUSSCGKSA-N 1 0 339.348 0.766 20 5 ECBDRO CC[C@H]([NH3+])CNS(=O)(=O)c1ccc(NC(=O)OC)c([N+](=O)[O-])c1 ZINC000496263364 255085951 /nfs/dbraw/zinc/08/59/51/255085951.db2.gz LQOZTHDFXDKSRQ-QMMMGPOBSA-N 1 0 346.365 0.789 20 5 ECBDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000419171079 209010284 /nfs/dbraw/zinc/01/02/84/209010284.db2.gz WWQHDAWRXAXEHI-SNVBAGLBSA-N 1 0 340.767 0.685 20 5 ECBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000419281056 209049938 /nfs/dbraw/zinc/04/99/38/209049938.db2.gz XOAACWFUVFPRAY-NEPJUHHUSA-N 1 0 334.376 0.901 20 5 ECBDRO COC(=O)C1([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000159429034 533227963 /nfs/dbraw/zinc/22/79/63/533227963.db2.gz BRWBPWDSMWNTTO-GFCCVEGCSA-N 1 0 326.353 0.570 20 5 ECBDRO COc1cc(S(=O)(=O)N2C[C@H](C)[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC000156201182 286244790 /nfs/dbraw/zinc/24/47/90/286244790.db2.gz LHXGRBLECQVTJJ-VHSXEESVSA-N 1 0 329.378 0.974 20 5 ECBDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000155339949 296701189 /nfs/dbraw/zinc/70/11/89/296701189.db2.gz ZTABIHRYPJXRDI-CYBMUJFWSA-N 1 0 332.364 0.475 20 5 ECBDRO CNC(=O)[C@H](C)C[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246282967 165128216 /nfs/dbraw/zinc/12/82/16/165128216.db2.gz XBURSQGCORLHSA-DGCLKSJQSA-N 1 0 325.365 0.648 20 5 ECBDRO CNC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000247585696 165165322 /nfs/dbraw/zinc/16/53/22/165165322.db2.gz MGOXWVQYJYEIPI-TZMCWYRMSA-N 1 0 337.376 0.793 20 5 ECBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000261982629 165272246 /nfs/dbraw/zinc/27/22/46/165272246.db2.gz MGJXBDKDTHGTOD-HNNXBMFYSA-N 1 0 330.348 0.986 20 5 ECBDRO COc1ccc(S(=O)(=O)NCC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000261999226 165274370 /nfs/dbraw/zinc/27/43/70/165274370.db2.gz UWAIWYIDCIEHQI-SNVBAGLBSA-N 1 0 329.378 0.881 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000262088957 165289484 /nfs/dbraw/zinc/28/94/84/165289484.db2.gz HVXHEQPNUGGEDJ-UWVGGRQHSA-N 1 0 329.378 0.961 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000262097572 165291006 /nfs/dbraw/zinc/29/10/06/165291006.db2.gz ILKZPCMBBPHGRN-KOLCDFICSA-N 1 0 329.378 0.961 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000262368904 165338366 /nfs/dbraw/zinc/33/83/66/165338366.db2.gz XJNVGMZDZUEQSF-NXEZZACHSA-N 1 0 329.378 0.974 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[NH2+][C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000262737709 165379282 /nfs/dbraw/zinc/37/92/82/165379282.db2.gz AXTWNDMAYJVVDZ-ZJUUUORDSA-N 1 0 329.378 0.974 20 5 ECBDRO CCOC(=O)c1cc(S(=O)(=O)NCC[NH2+]C)cc([N+](=O)[O-])c1C ZINC000262736108 165379609 /nfs/dbraw/zinc/37/96/09/165379609.db2.gz GXPKDPSSZLLRDH-UHFFFAOYSA-N 1 0 345.377 0.578 20 5 ECBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000262871287 165396867 /nfs/dbraw/zinc/39/68/67/165396867.db2.gz VBQFEWWZUBXWRV-JQWIXIFHSA-N 1 0 348.359 0.434 20 5 ECBDRO C[NH2+]C[C@H](C)CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000237117566 263172694 /nfs/dbraw/zinc/17/26/94/263172694.db2.gz VRLCYCDGPYEDMC-VIFPVBQESA-N 1 0 342.783 0.950 20 5 ECBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000237892778 263175154 /nfs/dbraw/zinc/17/51/54/263175154.db2.gz KLCCZFFECPUZEP-PSKZRQQASA-N 1 0 346.387 0.922 20 5 ECBDRO C[NH+](C)C[C@@](C)(O)CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000276216597 263687078 /nfs/dbraw/zinc/68/70/78/263687078.db2.gz KQHMMGKPPYZAQQ-ZDUSSCGKSA-N 1 0 331.394 0.723 20 5 ECBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000283474373 264120696 /nfs/dbraw/zinc/12/06/96/264120696.db2.gz YNCVDYDFFPSXKX-JTQLQIEISA-N 1 0 341.389 0.680 20 5 ECBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)CNc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000285105580 264279041 /nfs/dbraw/zinc/27/90/41/264279041.db2.gz UKTUWUSOQWGHBI-LSDHHAIUSA-N 1 0 334.376 0.938 20 5 ECBDRO CCCc1n[nH]c(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000289126846 264552971 /nfs/dbraw/zinc/55/29/71/264552971.db2.gz DRTITKLXLDMLSI-LLVKDONJSA-N 1 0 336.396 0.390 20 5 ECBDRO 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301708074 /nfs/dbraw/zinc/70/80/74/301708074.db2.gz ULBSQVHHJCCAMS-AWEZNQCLSA-N 1 0 337.376 0.935 20 5 ECBDRO C[N@H+](CCCO)C1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090549510 436433041 /nfs/dbraw/zinc/43/30/41/436433041.db2.gz LZYBEASBMNAPKG-UHFFFAOYSA-N 1 0 338.408 0.535 20 5 ECBDRO CCOC(=O)C1(C)CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000092836974 436476906 /nfs/dbraw/zinc/47/69/06/436476906.db2.gz CACUMNJFTLAGFO-CYBMUJFWSA-N 1 0 340.380 0.817 20 5 ECBDRO C[N@@H+]1CCC[C@@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000052590687 436511159 /nfs/dbraw/zinc/51/11/59/436511159.db2.gz CKLBYUQFMXHZQE-CYBMUJFWSA-N 1 0 348.407 0.916 20 5 ECBDRO O=C1[C@@H]([NH2+][C@H]2CCc3ncnn3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109132794 436623295 /nfs/dbraw/zinc/62/32/95/436623295.db2.gz DBOIBAUZPYHDIL-FZMZJTMJSA-N 1 0 342.359 0.896 20 5 ECBDRO CN(C)C(=O)C(C)(C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000114458445 436642139 /nfs/dbraw/zinc/64/21/39/436642139.db2.gz 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CREKLPJKWHBMRY-ZLDLUXBVSA-N 1 0 335.360 0.402 20 5 ECBDRO COC(=O)[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000378006353 438337229 /nfs/dbraw/zinc/33/72/29/438337229.db2.gz VCRGHOQIBUBDCQ-NEPJUHHUSA-N 1 0 326.353 0.283 20 5 ECBDRO CCCN(C(=O)C(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000419038608 438301599 /nfs/dbraw/zinc/30/15/99/438301599.db2.gz JUERXOPOUFEXCF-CQSZACIVSA-N 1 0 348.403 0.854 20 5 ECBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000434701033 438315798 /nfs/dbraw/zinc/31/57/98/438315798.db2.gz CRXHZQNHQTZOTA-SMDDNHRTSA-N 1 0 349.391 0.651 20 5 ECBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)CC2)C1 ZINC000378361908 438381405 /nfs/dbraw/zinc/38/14/05/438381405.db2.gz UFAJBSOUAXKTGP-CYBMUJFWSA-N 1 0 345.407 0.854 20 5 ECBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000392707865 438442907 /nfs/dbraw/zinc/44/29/07/438442907.db2.gz YABAHQMGGOIYNC-UHFFFAOYSA-N 1 0 330.348 0.990 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCO[C@]3(CCCOC3)C2)c1 ZINC000352361647 438412396 /nfs/dbraw/zinc/41/23/96/438412396.db2.gz LAOOVOIMYIBJNT-ZIAGYGMSSA-N 1 0 326.353 0.034 20 5 ECBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCCCNC1=O ZINC000369035359 438414678 /nfs/dbraw/zinc/41/46/78/438414678.db2.gz FHWJJVKPPBRACE-ZFWWWQNUSA-N 1 0 337.376 0.935 20 5 ECBDRO NC(=O)c1ccc(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000370053334 438548499 /nfs/dbraw/zinc/54/84/99/438548499.db2.gz NMHMCFZFWHJXHR-GDBMZVCRSA-N 1 0 348.403 0.725 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CCC3(C2)CC[NH2+]CC3)c([N+](=O)[O-])n1 ZINC000440845797 438567551 /nfs/dbraw/zinc/56/75/51/438567551.db2.gz SGYRCFVXRRZPDA-UHFFFAOYSA-N 1 0 343.409 0.575 20 5 ECBDRO C[N@@H+]1CCN(CCNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1(C)C ZINC000442965921 438634494 /nfs/dbraw/zinc/63/44/94/438634494.db2.gz NLORSEUOVOHNMD-UHFFFAOYSA-N 1 0 336.396 0.328 20 5 ECBDRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 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XDMLWACUOLNSNV-XQLPTFJDSA-N 1 0 340.380 0.468 20 5 ECBDRO CNc1nc(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000455519999 438747273 /nfs/dbraw/zinc/74/72/73/438747273.db2.gz OVVOMFYLLSRRSQ-LLVKDONJSA-N 1 0 336.396 0.397 20 5 ECBDRO NS(=O)(=O)c1ccc(N2CC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000589114003 438855826 /nfs/dbraw/zinc/85/58/26/438855826.db2.gz MEMJCCVPHFROLK-LBPRGKRZSA-N 1 0 340.405 0.917 20 5 ECBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000595735559 438851015 /nfs/dbraw/zinc/85/10/15/438851015.db2.gz AZKSEXXZACVKHY-DGCLKSJQSA-N 1 0 332.360 0.794 20 5 ECBDRO CC(C)([NH3+])c1noc(Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)n1 ZINC000578235281 438907840 /nfs/dbraw/zinc/90/78/40/438907840.db2.gz SZYJNFABOYTWIA-UHFFFAOYSA-N 1 0 330.304 0.930 20 5 ECBDRO CCOC(=O)CC1([NH2+]CCn2cc([N+](=O)[O-])cn2)CCOCC1 ZINC000595877342 438877495 /nfs/dbraw/zinc/87/74/95/438877495.db2.gz LCSUQCGFFSOUJO-UHFFFAOYSA-N 1 0 326.353 0.883 20 5 ECBDRO NC(=O)c1ccnc(NC2CC[NH+]([C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000589583214 438877794 /nfs/dbraw/zinc/87/77/94/438877794.db2.gz SUDGVOZPWPHEOY-NSHDSACASA-N 1 0 335.364 0.754 20 5 ECBDRO O=[N+]([O-])c1ccc(N2CCN(C[C@H]3CCC4(C[NH2+]C4)O3)CC2)cn1 ZINC000595892548 438879950 /nfs/dbraw/zinc/87/99/50/438879950.db2.gz RVIPFIFDFLIKFA-CQSZACIVSA-N 1 0 333.392 0.633 20 5 ECBDRO [NH3+]CC12CC(C1)CN2CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595903840 438880583 /nfs/dbraw/zinc/88/05/83/438880583.db2.gz ZYWAWHRDPDFZLV-UHFFFAOYSA-N 1 0 325.390 0.792 20 5 ECBDRO CC[C@@H]([NH2+]C)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000595925405 438886169 /nfs/dbraw/zinc/88/61/69/438886169.db2.gz QVBUDCSZSRWYDT-CQSZACIVSA-N 1 0 334.376 0.877 20 5 ECBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000577962482 438886349 /nfs/dbraw/zinc/88/63/49/438886349.db2.gz WBHDOVNGJOKUDT-SNVBAGLBSA-N 1 0 325.369 0.395 20 5 ECBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cn[nH]c1[C@H]1CC[NH2+]C1 ZINC000595927064 438886429 /nfs/dbraw/zinc/88/64/29/438886429.db2.gz UZCPAQFBUAQACF-QMMMGPOBSA-N 1 0 341.331 1.523 20 5 ECBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cn[nH]c1[C@@H]1CC[NH2+]C1 ZINC000595927063 438886545 /nfs/dbraw/zinc/88/65/45/438886545.db2.gz UZCPAQFBUAQACF-MRVPVSSYSA-N 1 0 341.331 1.523 20 5 ECBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000590447263 438925633 /nfs/dbraw/zinc/92/56/33/438925633.db2.gz WZTCRVGMQRHMHX-WFASDCNBSA-N 1 0 342.359 0.952 20 5 ECBDRO CN1CC[NH+](CC2CN(C(=O)c3cccc([N+](=O)[O-])c3N)C2)CC1 ZINC000590561618 438932650 /nfs/dbraw/zinc/93/26/50/438932650.db2.gz CHDDKNQDSLRFHH-UHFFFAOYSA-N 1 0 333.392 0.496 20 5 ECBDRO NC(=O)c1cc(N2CC[NH+](C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000596149170 438933135 /nfs/dbraw/zinc/93/31/35/438933135.db2.gz QUFHPAVZJHHBSA-UHFFFAOYSA-N 1 0 334.376 0.995 20 5 ECBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596167658 438934321 /nfs/dbraw/zinc/93/43/21/438934321.db2.gz GTSUWLUKJDUALW-LBPRGKRZSA-N 1 0 334.380 0.315 20 5 ECBDRO C[C@H](NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000579142461 438986555 /nfs/dbraw/zinc/98/65/55/438986555.db2.gz PDUJZGFGRXEDBT-GMXVVIOVSA-N 1 0 347.375 0.609 20 5 ECBDRO Cn1ncc2ccc(C[NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)cc21 ZINC000566064330 439000387 /nfs/dbraw/zinc/00/03/87/439000387.db2.gz OMMMUMYXGFCLQC-AWEZNQCLSA-N 1 0 330.348 0.829 20 5 ECBDRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000591348347 439005074 /nfs/dbraw/zinc/00/50/74/439005074.db2.gz VVJHLCYMLQIBDU-ZDUSSCGKSA-N 1 0 349.391 0.591 20 5 ECBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCC[NH2+]1 ZINC000591677874 439059780 /nfs/dbraw/zinc/05/97/80/439059780.db2.gz VDJSAKJKQURIFY-ZDUSSCGKSA-N 1 0 334.376 0.973 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCN1CCSCC1 ZINC000520568731 439088558 /nfs/dbraw/zinc/08/85/58/439088558.db2.gz FEAQHVKGFXCIMX-ZDUSSCGKSA-N 1 0 341.433 0.973 20 5 ECBDRO CC[NH2+][C@@H](C)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000602453547 439089058 /nfs/dbraw/zinc/08/90/58/439089058.db2.gz HXOPQWFNROQITD-LBPRGKRZSA-N 1 0 334.376 0.877 20 5 ECBDRO O=C(CC[NH2+]CCC1CS(=O)(=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000591762901 439081497 /nfs/dbraw/zinc/08/14/97/439081497.db2.gz CJNOBJOXDGFJIG-UHFFFAOYSA-N 1 0 341.389 0.948 20 5 ECBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000591765610 439082726 /nfs/dbraw/zinc/08/27/26/439082726.db2.gz HDTYIDZTCNCDOE-MDZLAQPJSA-N 1 0 326.353 0.474 20 5 ECBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCc4ncnn43)CC2)cn1 ZINC000602766662 439131343 /nfs/dbraw/zinc/13/13/43/439131343.db2.gz OTSCGIXUDPEAGB-ZDUSSCGKSA-N 1 0 329.364 0.891 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H](CO)C2CCCCC2)c1 ZINC000580893267 439143781 /nfs/dbraw/zinc/14/37/81/439143781.db2.gz QTQZCCMIJWOYGQ-DZGCQCFKSA-N 1 0 326.397 0.931 20 5 ECBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000567521145 439149601 /nfs/dbraw/zinc/14/96/01/439149601.db2.gz RJWAWHQWKCIYIP-ZYHUDNBSSA-N 1 0 348.359 0.438 20 5 ECBDRO C[NH+](C)C[C@@]1(O)CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000602891775 439153257 /nfs/dbraw/zinc/15/32/57/439153257.db2.gz OZYGSLIIQVGBDW-INIZCTEOSA-N 1 0 336.392 0.922 20 5 ECBDRO Cc1c(NC(=O)CCN2CC[N@@H+](C)C[C@H]2CO)cccc1[N+](=O)[O-] ZINC000602903142 439155248 /nfs/dbraw/zinc/15/52/48/439155248.db2.gz BUEMHYBCRJUMKW-ZDUSSCGKSA-N 1 0 336.392 0.840 20 5 ECBDRO CC(=O)c1cc([N+](=O)[O-])ccc1OC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000568008954 439204346 /nfs/dbraw/zinc/20/43/46/439204346.db2.gz QSOYRSAVQDAMID-AWEZNQCLSA-N 1 0 337.376 0.785 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N[C@H]2CCC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000592329942 439206653 /nfs/dbraw/zinc/20/66/53/439206653.db2.gz DTUQIVFXCZBDKN-ZDUSSCGKSA-N 1 0 334.376 0.891 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])n1 ZINC000568087663 439212143 /nfs/dbraw/zinc/21/21/43/439212143.db2.gz OSFOKASBHRMWSA-CYBMUJFWSA-N 1 0 343.409 0.575 20 5 ECBDRO O=[N+]([O-])c1cc(F)ccc1Cn1cc(CCN2CC[NH2+]CC2)nn1 ZINC000603224925 439213031 /nfs/dbraw/zinc/21/30/31/439213031.db2.gz VJOWJWREIIUFQO-UHFFFAOYSA-N 1 0 334.355 0.821 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2COCCO2)cc1 ZINC000581998156 439275928 /nfs/dbraw/zinc/27/59/28/439275928.db2.gz XRKKLNXGKQHRST-LBPRGKRZSA-N 1 0 330.362 0.374 20 5 ECBDRO C[NH+](C)C1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 ZINC000598587623 439283362 /nfs/dbraw/zinc/28/33/62/439283362.db2.gz SUPTXIKQMYPGRZ-UHFFFAOYSA-N 1 0 336.396 0.752 20 5 ECBDRO C[C@@H]1COCCN1CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000582057281 439283595 /nfs/dbraw/zinc/28/35/95/439283595.db2.gz BYTYYQQRORFXFE-UKRRQHHQSA-N 1 0 339.392 0.645 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2nnc3n2CCCCC3)c1 ZINC000581661855 439238616 /nfs/dbraw/zinc/23/86/16/439238616.db2.gz FUMGGGCSKQYGNC-CYBMUJFWSA-N 1 0 349.395 0.302 20 5 ECBDRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000592554443 439251985 /nfs/dbraw/zinc/25/19/85/439251985.db2.gz UBPYQEQOBOZJOV-CYBMUJFWSA-N 1 0 336.348 0.370 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000568508787 439253130 /nfs/dbraw/zinc/25/31/30/439253130.db2.gz QHIZRIZWRCQCAQ-DGCLKSJQSA-N 1 0 334.376 0.829 20 5 ECBDRO O=[N+]([O-])c1cnccc1N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000603421754 439260141 /nfs/dbraw/zinc/26/01/41/439260141.db2.gz BRRKYEAYOZQZCR-CQSZACIVSA-N 1 0 335.408 0.620 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCOc2ccc(Cl)cn2)c1 ZINC000569332361 439323694 /nfs/dbraw/zinc/32/36/94/439323694.db2.gz NIDPBKXHWZMCRC-GFCCVEGCSA-N 1 0 341.755 0.869 20 5 ECBDRO C[NH+](C)CCN1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1=O ZINC000593053337 439335837 /nfs/dbraw/zinc/33/58/37/439335837.db2.gz ZFWUPZBMMNYOFG-UHFFFAOYSA-N 1 0 349.391 0.239 20 5 ECBDRO CC1(NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000598663877 439297619 /nfs/dbraw/zinc/29/76/19/439297619.db2.gz AVPTXBGSGJPEKG-UHFFFAOYSA-N 1 0 335.364 0.975 20 5 ECBDRO O=C(NCC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)Nc1cccc([N+](=O)[O-])c1 ZINC000598664290 439298653 /nfs/dbraw/zinc/29/86/53/439298653.db2.gz CXGDYUIUTWONGG-RISCZKNCSA-N 1 0 347.375 0.927 20 5 ECBDRO C[C@@H]1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H](C)[NH2+]1 ZINC000598665723 439299536 /nfs/dbraw/zinc/29/95/36/439299536.db2.gz YYRLJDIXYQTFRQ-GHMZBOCLSA-N 1 0 335.364 0.925 20 5 ECBDRO C[C@@H]1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000598665724 439299575 /nfs/dbraw/zinc/29/95/75/439299575.db2.gz YYRLJDIXYQTFRQ-PHIMTYICSA-N 1 0 335.364 0.925 20 5 ECBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000604266167 439305053 /nfs/dbraw/zinc/30/50/53/439305053.db2.gz VORDCWACRNXQNX-ZDUSSCGKSA-N 1 0 337.424 0.937 20 5 ECBDRO CO[C@@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H](C[NH3+])C1 ZINC000582235992 439306277 /nfs/dbraw/zinc/30/62/77/439306277.db2.gz MUFMXFWLLPRQNO-NXEZZACHSA-N 1 0 337.332 0.902 20 5 ECBDRO CN1CC[NH+](CC2CN(c3nc4sccn4c3[N+](=O)[O-])C2)CC1 ZINC000599109310 439360783 /nfs/dbraw/zinc/36/07/83/439360783.db2.gz SRSKWCZOQNRYOL-UHFFFAOYSA-N 1 0 336.421 0.988 20 5 ECBDRO CN(CCOCC[NH3+])S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000599111730 439361871 /nfs/dbraw/zinc/36/18/71/439361871.db2.gz QSXQHUQEZIDTFK-UHFFFAOYSA-N 1 0 337.785 0.844 20 5 ECBDRO COc1ccc(CC(=O)NC[C@](C)(O)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000569699170 439354549 /nfs/dbraw/zinc/35/45/49/439354549.db2.gz OFAUPOKGKBPXEZ-MRXNPFEDSA-N 1 0 339.392 0.965 20 5 ECBDRO C[NH+](C)CCN(Cc1ccccn1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000569863752 439370401 /nfs/dbraw/zinc/37/04/01/439370401.db2.gz QCDUZANALBFDAW-INIZCTEOSA-N 1 0 348.407 0.611 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H](CO)Cc2ccncc2)c1 ZINC000582785397 439380654 /nfs/dbraw/zinc/38/06/54/439380654.db2.gz DXQKMQGHRXRFIS-HOCLYGCPSA-N 1 0 347.371 0.923 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000599214187 439383530 /nfs/dbraw/zinc/38/35/30/439383530.db2.gz VKJJFJVDMAVXCN-SECBINFHSA-N 1 0 329.382 0.091 20 5 ECBDRO CN(CCC[NH+]1CCCC1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599298134 439422944 /nfs/dbraw/zinc/42/29/44/439422944.db2.gz SMOYUSZNXWUGDS-UHFFFAOYSA-N 1 0 331.398 0.435 20 5 ECBDRO O=C1C[C@@H]([NH2+]CCn2cccn2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000583151576 439427826 /nfs/dbraw/zinc/42/78/26/439427826.db2.gz CAVKNSJOODQPHA-CYBMUJFWSA-N 1 0 329.316 0.713 20 5 ECBDRO COc1cc(CN2CC([N@@H+]3CC[C@@H](O)C3)C2)c([N+](=O)[O-])cc1OC ZINC000593680398 439445484 /nfs/dbraw/zinc/44/54/84/439445484.db2.gz ULHMZHKWNCJENR-CYBMUJFWSA-N 1 0 337.376 0.863 20 5 ECBDRO [NH3+]CC1(CCNC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000593717152 439452682 /nfs/dbraw/zinc/45/26/82/439452682.db2.gz ZFOHBENUHIQRNK-UHFFFAOYSA-N 1 0 348.407 0.950 20 5 ECBDRO Cc1c(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000583511823 439474594 /nfs/dbraw/zinc/47/45/94/439474594.db2.gz ZFGYGCAHMWSSFC-STQMWFEESA-N 1 0 347.375 0.357 20 5 ECBDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000593919039 439494517 /nfs/dbraw/zinc/49/45/17/439494517.db2.gz MFBVTPAKIYQUSM-BNOWGMLFSA-N 1 0 337.380 0.679 20 5 ECBDRO C[NH+](C)[C@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1O ZINC000583731446 439503754 /nfs/dbraw/zinc/50/37/54/439503754.db2.gz VWVUFGWJKXPXLB-STQMWFEESA-N 1 0 333.348 0.752 20 5 ECBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594394307 439554510 /nfs/dbraw/zinc/55/45/10/439554510.db2.gz WUOLZDJXAONOTA-UONOGXRCSA-N 1 0 344.371 0.896 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCOCCC[NH3+] ZINC000599906779 439573312 /nfs/dbraw/zinc/57/33/12/439573312.db2.gz IPDSVMXIHUTRKS-UHFFFAOYSA-N 1 0 326.353 0.768 20 5 ECBDRO [NH3+]CCCOCCNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000599933256 439577390 /nfs/dbraw/zinc/57/73/90/439577390.db2.gz AESGJYXUMDYRKI-UHFFFAOYSA-N 1 0 340.384 0.503 20 5 ECBDRO O=C1C[C@@H]([NH2+]CCN2CCOCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000572374361 439578948 /nfs/dbraw/zinc/57/89/48/439578948.db2.gz HIYCYFZGRJGLLG-CQSZACIVSA-N 1 0 348.359 0.149 20 5 ECBDRO COc1cc(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000599939531 439580184 /nfs/dbraw/zinc/58/01/84/439580184.db2.gz WKMPWQQLCZLDAN-STQMWFEESA-N 1 0 335.360 0.885 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000599938601 439580995 /nfs/dbraw/zinc/58/09/95/439580995.db2.gz QMCDZRXWUOIZFN-OLZOCXBDSA-N 1 0 335.360 0.885 20 5 ECBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000599938520 439581301 /nfs/dbraw/zinc/58/13/01/439581301.db2.gz CKHOHOSNAYVOLF-UONOGXRCSA-N 1 0 337.351 0.944 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cccc1[N+](=O)[O-] ZINC000599950552 439583808 /nfs/dbraw/zinc/58/38/08/439583808.db2.gz OUHPSDXAJIIJDK-GXFFZTMASA-N 1 0 334.376 0.776 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000599951307 439584266 /nfs/dbraw/zinc/58/42/66/439584266.db2.gz VNYXCASEHJWLJS-HNNXBMFYSA-N 1 0 348.403 0.976 20 5 ECBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)C[C@H]21 ZINC000599998937 439592027 /nfs/dbraw/zinc/59/20/27/439592027.db2.gz BBVUDHPTOAEIOO-IMRBUKKESA-N 1 0 333.344 0.998 20 5 ECBDRO CS[C@H]1CN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000594767989 439606506 /nfs/dbraw/zinc/60/65/06/439606506.db2.gz ZLXOXBFKCLOQTQ-MNOVXSKESA-N 1 0 346.434 0.656 20 5 ECBDRO C[NH+](C)C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)c2ccccc2O1 ZINC000610761993 439644984 /nfs/dbraw/zinc/64/49/84/439644984.db2.gz RZBCIJFJWHSIMW-LLVKDONJSA-N 1 0 346.347 0.542 20 5 ECBDRO [NH3+]CCCOC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000595108749 439653992 /nfs/dbraw/zinc/65/39/92/439653992.db2.gz RAICERNOLTZUAK-UHFFFAOYSA-N 1 0 344.393 0.508 20 5 ECBDRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000595109232 439654713 /nfs/dbraw/zinc/65/47/13/439654713.db2.gz XZMDINVLGIIEOO-ZMLRMANQSA-N 1 0 326.378 0.738 20 5 ECBDRO CCn1cc(S(=O)(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)c([N+](=O)[O-])n1 ZINC000595121104 439656033 /nfs/dbraw/zinc/65/60/33/439656033.db2.gz VPMSADHAUKCLFC-JTQLQIEISA-N 1 0 343.409 0.764 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000584838181 439621368 /nfs/dbraw/zinc/62/13/68/439621368.db2.gz XVGHPCIQGVIGOV-UHFFFAOYSA-N 1 0 347.335 0.383 20 5 ECBDRO Cc1noc(CN2CCC(C(=O)NCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000595365585 439714293 /nfs/dbraw/zinc/71/42/93/439714293.db2.gz OHDISMRJMUIFQY-UHFFFAOYSA-N 1 0 339.396 0.781 20 5 ECBDRO CC[N@@H+]1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000611101078 439673411 /nfs/dbraw/zinc/67/34/11/439673411.db2.gz XXDKULCYOOLSOA-GFCCVEGCSA-N 1 0 334.376 0.877 20 5 ECBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000600532052 439674958 /nfs/dbraw/zinc/67/49/58/439674958.db2.gz GEDWNILTYAPJTP-LLVKDONJSA-N 1 0 330.344 0.939 20 5 ECBDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000595245814 439680520 /nfs/dbraw/zinc/68/05/20/439680520.db2.gz WVSVSQULGYWISE-SSDOTTSWSA-N 1 0 346.290 0.859 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)cccc1[N+](=O)[O-] ZINC000595282486 439689708 /nfs/dbraw/zinc/68/97/08/439689708.db2.gz ORTNILUUUYKKPG-UHFFFAOYSA-N 1 0 332.360 0.469 20 5 ECBDRO CC[NH+](CC)CCNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000339225611 320973121 /nfs/dbraw/zinc/97/31/21/320973121.db2.gz AQLDGHVJKBHFAE-UHFFFAOYSA-N 1 0 344.393 0.314 20 5 ECBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000353736322 321411343 /nfs/dbraw/zinc/41/13/43/321411343.db2.gz JJYRLVQRGHKQQM-NSHDSACASA-N 1 0 337.332 0.467 20 5 ECBDRO COC(=O)N1CCC(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000497230531 321958991 /nfs/dbraw/zinc/95/89/91/321958991.db2.gz XMPAUUUMFRFJKP-ZDUSSCGKSA-N 1 0 341.368 0.220 20 5 ECBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000531888449 322047433 /nfs/dbraw/zinc/04/74/33/322047433.db2.gz QDZGQXGLQQAHGT-ZDUSSCGKSA-N 1 0 335.408 0.993 20 5 ECBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000531986311 322049729 /nfs/dbraw/zinc/04/97/29/322049729.db2.gz XTYBQPGZFCCDQI-ZDUSSCGKSA-N 1 0 349.391 0.312 20 5 ECBDRO O=C1C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CN1c1ccccc1 ZINC000562987467 322291461 /nfs/dbraw/zinc/29/14/61/322291461.db2.gz RKCSMWZCTXSBQU-WFASDCNBSA-N 1 0 345.359 0.547 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCC2(O)CCOCC2)c1 ZINC000563009763 322292793 /nfs/dbraw/zinc/29/27/93/322292793.db2.gz CCIVWMGJTXSQGB-AWEZNQCLSA-N 1 0 340.376 0.856 20 5 ECBDRO Cc1ccc(S(=O)(=O)N2CCN(C)C[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000563211017 322304674 /nfs/dbraw/zinc/30/46/74/322304674.db2.gz JIDIOGNTRXVEFD-LLVKDONJSA-N 1 0 328.394 0.167 20 5 ECBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)C(=O)NCC[NH+]1CCCCC1 ZINC000563984037 322357669 /nfs/dbraw/zinc/35/76/69/322357669.db2.gz AXPKJRZPJBKBTD-GFCCVEGCSA-N 1 0 349.391 0.710 20 5 ECBDRO CN1CCCC(C)(C)[C@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000564076389 322360121 /nfs/dbraw/zinc/36/01/21/322360121.db2.gz LXVFXJCREORDOT-UONOGXRCSA-N 1 0 325.413 0.862 20 5 ECBDRO C[C@@H](CS(C)(=O)=O)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566118232 322503473 /nfs/dbraw/zinc/50/34/73/322503473.db2.gz YKKRVXYKYIYKJB-QWRGUYRKSA-N 1 0 332.378 0.357 20 5 ECBDRO COc1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(OC)n1 ZINC000567709153 322593998 /nfs/dbraw/zinc/59/39/98/322593998.db2.gz HUSGMCRWDANDCT-LBPRGKRZSA-N 1 0 337.336 0.354 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC000571158134 322711950 /nfs/dbraw/zinc/71/19/50/322711950.db2.gz XZCJAIUHAVIEJI-MWLCHTKSSA-N 1 0 337.302 0.378 20 5 ECBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)NCc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000571300022 322716947 /nfs/dbraw/zinc/71/69/47/322716947.db2.gz UWRPWUAOGHZOIR-QWHCGFSZSA-N 1 0 333.348 0.048 20 5 ECBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@]12CCCO2 ZINC000575258721 322793480 /nfs/dbraw/zinc/79/34/80/322793480.db2.gz XDMLWACUOLNSNV-BARDWOONSA-N 1 0 340.380 0.468 20 5 ECBDRO CS(=O)(=O)c1cc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000579831606 322907861 /nfs/dbraw/zinc/90/78/61/322907861.db2.gz BZJGERJSKHAVGN-KOLCDFICSA-N 1 0 341.389 0.856 20 5 ECBDRO CCN(CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000749690272 579341256 /nfs/dbraw/zinc/34/12/56/579341256.db2.gz OCVWVHZWBCQTIY-AWEZNQCLSA-N 1 0 345.421 0.889 20 5 ECBDRO CCN1CCO[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736567819 578436975 /nfs/dbraw/zinc/43/69/75/578436975.db2.gz DZFIICFNLICRGA-JTQLQIEISA-N 1 0 334.340 0.303 20 5 ECBDRO C[N@H+](CCO)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736802728 578453465 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O=c1c2c(ncn1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000830517988 588374429 /nfs/dbraw/zinc/37/44/29/588374429.db2.gz MXOYLSTYMYVAAO-UHFFFAOYSA-N 1 0 345.315 0.796 20 5 ECBDRO CNc1nccc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000847406510 589245984 /nfs/dbraw/zinc/24/59/84/589245984.db2.gz CQSIKZBCGPCLMZ-QWRGUYRKSA-N 1 0 335.364 0.625 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@]23OCCC[C@H]2C3(F)F)c1 ZINC000849329211 589325861 /nfs/dbraw/zinc/32/58/61/589325861.db2.gz CXPNXVQBNRKSHQ-TUAOUCFPSA-N 1 0 332.307 0.556 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@]3(C2)CCC[NH2+]C3)nc1 ZINC000850587659 589369685 /nfs/dbraw/zinc/36/96/85/589369685.db2.gz GBOOCFYFWLCPED-CYBMUJFWSA-N 1 0 326.378 0.754 20 5 ECBDRO O=C(NCCN1CC[NH2+]CC1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857762854 589703795 /nfs/dbraw/zinc/70/37/95/589703795.db2.gz GJRSJVBEEYRULE-UHFFFAOYSA-N 1 0 344.318 0.588 20 5 ECBDRO [NH3+]C[C@H]1CN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000857767038 589704203 /nfs/dbraw/zinc/70/42/03/589704203.db2.gz WQIHMEQGTQFTGH-NSHDSACASA-N 1 0 331.275 0.753 20 5 ECBDRO COc1cc(S(=O)(=O)NCCOCCC[NH3+])ccc1[N+](=O)[O-] ZINC000858632184 589762562 /nfs/dbraw/zinc/76/25/62/589762562.db2.gz RBZUHLDZPYXQSJ-UHFFFAOYSA-N 1 0 333.366 0.247 20 5 ECBDRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3cccnc3[N+](=O)[O-])CC[C@H]21 ZINC000867811223 589847357 /nfs/dbraw/zinc/84/73/57/589847357.db2.gz AWUNUWBYCYMTFB-WDEREUQCSA-N 1 0 326.378 0.705 20 5 ECBDRO C[NH2+]CCOCCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000861516938 589858513 /nfs/dbraw/zinc/85/85/13/589858513.db2.gz XFDKSTMJGXEBCF-UHFFFAOYSA-N 1 0 344.755 0.539 20 5 ECBDRO COCC[N@H+]1[C@H](C)CN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000122158661 589905367 /nfs/dbraw/zinc/90/53/67/589905367.db2.gz RXTGPSXYZKFCNH-TXEJJXNPSA-N 1 0 325.369 0.359 20 5 ECBDRO CON(C)C(=O)[C@@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000863587610 590026008 /nfs/dbraw/zinc/02/60/08/590026008.db2.gz ZOPPURIHHCLPFK-ZYHUDNBSSA-N 1 0 327.337 0.332 20 5 ECBDRO Cc1c(C[NH2+]C[C@]23COCCN2C(=O)COC3)cccc1[N+](=O)[O-] ZINC000873150180 590185188 /nfs/dbraw/zinc/18/51/88/590185188.db2.gz ZAEAKMHCGXPMNK-MRXNPFEDSA-N 1 0 335.360 0.621 20 5 ECBDRO C[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C(C)(C)C ZINC000880612108 590411598 /nfs/dbraw/zinc/41/15/98/590411598.db2.gz CTIPHRBDZJWLTB-CYBMUJFWSA-N 1 0 336.392 0.945 20 5 ECBDRO CC[NH+](CC)CC(=O)N1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885985532 590784928 /nfs/dbraw/zinc/78/49/28/590784928.db2.gz KILNTUCLHYDQGB-UHFFFAOYSA-N 1 0 335.408 0.976 20 5 ECBDRO [NH3+][C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)C1CC1 ZINC000137503510 590822725 /nfs/dbraw/zinc/82/27/25/590822725.db2.gz VNSJWHDZJGZYFX-CQSZACIVSA-N 1 0 334.376 0.899 20 5 ECBDRO Cn1ccnc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589036 611356828 /nfs/dbraw/zinc/35/68/28/611356828.db2.gz BRRMPYGLJPQMPM-LXTVHRRPSA-N 1 0 347.419 0.756 20 5 ECBDRO C[C@@H]1COC[C@H]1[NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000932494369 611634422 /nfs/dbraw/zinc/63/44/22/611634422.db2.gz POSLCIKUJZIFSZ-CZUORRHYSA-N 1 0 348.403 0.868 20 5 ECBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2C)c1F ZINC000924976949 608679604 /nfs/dbraw/zinc/67/96/04/608679604.db2.gz AIHDBNDBXBJWRH-RKDXNWHRSA-N 1 0 329.303 0.976 20 5 ECBDRO COC(=O)CC[N@H+](CC(C)C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001167259459 733104174 /nfs/dbraw/zinc/10/41/74/733104174.db2.gz VOWHAQRKTOIFQC-CYBMUJFWSA-N 1 0 328.369 0.673 20 5 ECBDRO COC(=O)Cc1ccc(-n2c(C)ncc(C[NH3+])c2=N)cc1[N+](=O)[O-] ZINC001167675203 737096686 /nfs/dbraw/zinc/09/66/86/737096686.db2.gz ITUADQCLOVRAGL-UHFFFAOYSA-N 1 0 331.332 0.743 20 5 ECBDRO CN(C)c1cc[nH+]cc1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000973253006 738977722 /nfs/dbraw/zinc/97/77/22/738977722.db2.gz QCZWXWKHHREPPZ-ZHSDAYTOSA-N 1 0 347.375 0.190 20 5 ECBDRO 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ZINC001267193439 836957946 /nfs/dbraw/zinc/95/79/46/836957946.db2.gz QASSOOYAWSGCLH-UHFFFAOYSA-N 1 0 332.364 0.825 20 5 ECBDRO Cc1nnccc1C(=O)N(C)CC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001267397995 837358297 /nfs/dbraw/zinc/35/82/97/837358297.db2.gz UPXVBSUOZXJQRP-UHFFFAOYSA-N 1 0 333.352 0.289 20 5 ECBDRO CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCCC[NH3+] ZINC000428490817 210262772 /nfs/dbraw/zinc/26/27/72/210262772.db2.gz PIBVGDIEDOEGLW-VIFPVBQESA-N 1 0 344.393 0.504 20 5 ECBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)N2CC[NH+](CC)CC2)n1 ZINC000427847064 210222825 /nfs/dbraw/zinc/22/28/25/210222825.db2.gz ULRVCWRVZFXJCX-LBPRGKRZSA-N 1 0 338.412 0.567 20 5 ECBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000127165970 222802749 /nfs/dbraw/zinc/80/27/49/222802749.db2.gz ZXRDFXYDULNYAY-CYBMUJFWSA-N 1 0 336.392 0.993 20 5 ECBDRO CCOC(=O)[C@](C)(O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000355051325 299190196 /nfs/dbraw/zinc/19/01/96/299190196.db2.gz NCMOSGCZAOUWKP-XHDPSFHLSA-N 1 0 338.364 0.790 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)ccc1[N+](=O)[O-] ZINC000423590036 209771893 /nfs/dbraw/zinc/77/18/93/209771893.db2.gz AXRWETPXSRSMQZ-DGCLKSJQSA-N 1 0 334.376 0.890 20 5 ECBDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000186964426 236080737 /nfs/dbraw/zinc/08/07/37/236080737.db2.gz CIZVHPWLDLLSIR-CHWSQXEVSA-N 1 0 336.392 0.920 20 5 ECBDRO [NH3+][C@@H]1CCC[C@@H]1NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422979029 283576022 /nfs/dbraw/zinc/57/60/22/283576022.db2.gz IQVRATVKBOGKJD-MNOVXSKESA-N 1 0 328.394 0.343 20 5 ECBDRO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000130511551 223158814 /nfs/dbraw/zinc/15/88/14/223158814.db2.gz PGLNLUUPCLVPMB-AGIUHOORSA-N 1 0 337.376 0.968 20 5 ECBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000131357490 223225639 /nfs/dbraw/zinc/22/56/39/223225639.db2.gz RVZNNIJBEIQPRT-CYBMUJFWSA-N 1 0 339.396 0.535 20 5 ECBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000420003889 209274692 /nfs/dbraw/zinc/27/46/92/209274692.db2.gz UGSBLPARGZWAKX-CQSZACIVSA-N 1 0 348.403 0.854 20 5 ECBDRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000419968710 209264183 /nfs/dbraw/zinc/26/41/83/209264183.db2.gz DZJIWVUNTUQJFL-CQSZACIVSA-N 1 0 348.403 0.969 20 5 ECBDRO [NH3+][C@H](CNC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000419868448 209231350 /nfs/dbraw/zinc/23/13/50/209231350.db2.gz QWIMLGOJBJRARC-OAHLLOKOSA-N 1 0 346.387 0.939 20 5 ECBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCN1CC[NH+](C)CC1 ZINC000193205218 240058446 /nfs/dbraw/zinc/05/84/46/240058446.db2.gz PEQBPBRXYATFSE-UHFFFAOYSA-N 1 0 342.421 0.429 20 5 ECBDRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000419836751 209219483 /nfs/dbraw/zinc/21/94/83/209219483.db2.gz CCWRFPIFOYTSQN-CYBMUJFWSA-N 1 0 332.360 0.348 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000419758992 209199042 /nfs/dbraw/zinc/19/90/42/209199042.db2.gz LMUCQSJJTNMTLR-KGLIPLIRSA-N 1 0 346.387 0.587 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cccc1[N+](=O)[O-] ZINC000419758588 209199122 /nfs/dbraw/zinc/19/91/22/209199122.db2.gz KERIGVJCUUQUMR-GHMZBOCLSA-N 1 0 334.376 0.728 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000419757837 209198731 /nfs/dbraw/zinc/19/87/31/209198731.db2.gz IZBHJJYQTWXIIJ-QGZVFWFLSA-N 1 0 346.387 0.731 20 5 ECBDRO CCC[C@@H]([NH3+])C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262699239 245128484 /nfs/dbraw/zinc/12/84/84/245128484.db2.gz GICXBLRKGFZBLH-SNVBAGLBSA-N 1 0 344.393 0.117 20 5 ECBDRO Nc1ccc(C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])cc1[N+](=O)[O-] ZINC000262751054 245159735 /nfs/dbraw/zinc/15/97/35/245159735.db2.gz GNSPGZMXLYATKX-LBPRGKRZSA-N 1 0 349.391 0.637 20 5 ECBDRO C[C@@H]([NH3+])CCC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262751937 245159996 /nfs/dbraw/zinc/15/99/96/245159996.db2.gz GVBHUOZDYBBLAS-SNVBAGLBSA-N 1 0 344.393 0.117 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1COC[C@H]1OC ZINC000459833800 211871713 /nfs/dbraw/zinc/87/17/13/211871713.db2.gz VJFPKDSLJCQHJM-GXTWGEPZSA-N 1 0 339.348 0.935 20 5 ECBDRO CNc1nc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000455981425 211635324 /nfs/dbraw/zinc/63/53/24/211635324.db2.gz DLDIDQMMIVOQCD-NSHDSACASA-N 1 0 337.380 0.608 20 5 ECBDRO C[N@@H+]1CC[C@H](CNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000264728171 246839194 /nfs/dbraw/zinc/83/91/94/246839194.db2.gz YXNCCRUDVCNOFP-SNVBAGLBSA-N 1 0 346.343 0.259 20 5 ECBDRO NS(=O)(=O)C[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000265201597 247293188 /nfs/dbraw/zinc/29/31/88/247293188.db2.gz KAIZTLFWRVOBSL-GFCCVEGCSA-N 1 0 343.405 0.974 20 5 ECBDRO CCOC(=O)C[N@H+](CC(C)C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266550797 248356797 /nfs/dbraw/zinc/35/67/97/248356797.db2.gz UGGBNCOFUVNKKS-CYBMUJFWSA-N 1 0 328.369 0.673 20 5 ECBDRO O=C(NCCc1ccccc1[N+](=O)[O-])c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000449291765 211279267 /nfs/dbraw/zinc/27/92/67/211279267.db2.gz AFAMITIIRKJGAK-ZDUSSCGKSA-N 1 0 344.375 0.911 20 5 ECBDRO C[C@H]1C[C@@H](NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000447516174 211192850 /nfs/dbraw/zinc/19/28/50/211192850.db2.gz FHUSDZXFROWTCZ-AAEUAGOBSA-N 1 0 349.391 0.651 20 5 ECBDRO C[C@H]1C[NH+](CCCCNC(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000443676592 211030278 /nfs/dbraw/zinc/03/02/78/211030278.db2.gz VZKYHUYMMGCWGJ-RYUDHWBXSA-N 1 0 340.384 0.192 20 5 ECBDRO C[C@@](C[NH3+])(NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000430600776 210385968 /nfs/dbraw/zinc/38/59/68/210385968.db2.gz YNBKMALJRLLIPZ-HNNXBMFYSA-N 1 0 336.348 0.979 20 5 ECBDRO C[C@](C[NH3+])(NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000430600778 210385846 /nfs/dbraw/zinc/38/58/46/210385846.db2.gz YNBKMALJRLLIPZ-OAHLLOKOSA-N 1 0 336.348 0.979 20 5 ECBDRO CCn1cc(S(=O)(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])n1 ZINC000420456392 209370531 /nfs/dbraw/zinc/37/05/31/209370531.db2.gz AGTPYPKSPIOMDE-UWVGGRQHSA-N 1 0 331.398 0.607 20 5 ECBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000429445913 210318394 /nfs/dbraw/zinc/31/83/94/210318394.db2.gz GBLIKVHRINBOEZ-NWDGAFQWSA-N 1 0 338.412 0.943 20 5 ECBDRO C[C@H]1CN(C(=O)CN2c3cc([N+](=O)[O-])ccc3OCC2=O)CC[C@H]1[NH3+] ZINC000429189545 210303641 /nfs/dbraw/zinc/30/36/41/210303641.db2.gz QLELPLWLRZOFAU-CMPLNLGQSA-N 1 0 348.359 0.516 20 5 ECBDRO C[C@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000429151611 210302248 /nfs/dbraw/zinc/30/22/48/210302248.db2.gz SWNARMQRKBNSGQ-JQWIXIFHSA-N 1 0 330.348 0.985 20 5 ECBDRO C[C@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000429160662 210302308 /nfs/dbraw/zinc/30/23/08/210302308.db2.gz OOHNNRMRZOQNIL-FZMZJTMJSA-N 1 0 349.391 0.590 20 5 ECBDRO C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000429224061 210306536 /nfs/dbraw/zinc/30/65/36/210306536.db2.gz YANFBMLOADDXFY-GHMZBOCLSA-N 1 0 338.364 0.764 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000415872705 208593224 /nfs/dbraw/zinc/59/32/24/208593224.db2.gz SWHOJDJHWWDCJT-MNOVXSKESA-N 1 0 348.359 0.610 20 5 ECBDRO Cc1c(NC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000415889874 208593970 /nfs/dbraw/zinc/59/39/70/208593970.db2.gz GUOQMDUZFPAYPV-NEPJUHHUSA-N 1 0 332.360 0.910 20 5 ECBDRO [NH3+]C[C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000429076200 210295784 /nfs/dbraw/zinc/29/57/84/210295784.db2.gz MJLXAJGUCHPDQG-MNOVXSKESA-N 1 0 336.348 0.600 20 5 ECBDRO [NH3+]C[C@H]1CCCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000428537442 210268348 /nfs/dbraw/zinc/26/83/48/210268348.db2.gz NOMNHEYSKFKPCH-CYBMUJFWSA-N 1 0 349.391 0.591 20 5 ECBDRO COc1cc(S(=O)(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000184315167 533099238 /nfs/dbraw/zinc/09/92/38/533099238.db2.gz GQIIGXFFUZAFRK-WCQGTBRESA-N 1 0 341.389 0.961 20 5 ECBDRO Cc1ccc(NCCCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000419457042 209100650 /nfs/dbraw/zinc/10/06/50/209100650.db2.gz VCWSHPAAUARZLU-GFCCVEGCSA-N 1 0 349.391 0.300 20 5 ECBDRO [NH3+][C@@H]1CCN(C(=O)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000418822414 208862365 /nfs/dbraw/zinc/86/23/65/208862365.db2.gz YDEIDFKZDGVSMQ-LLVKDONJSA-N 1 0 340.767 0.467 20 5 ECBDRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000418873529 208890661 /nfs/dbraw/zinc/89/06/61/208890661.db2.gz UDXZQIYREYEFTR-CQSZACIVSA-N 1 0 348.403 0.841 20 5 ECBDRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000419152166 209003260 /nfs/dbraw/zinc/00/32/60/209003260.db2.gz OEQIOEZMIWATSO-NWDGAFQWSA-N 1 0 334.376 0.982 20 5 ECBDRO [NH3+]C[C@H](NC(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000419169381 209010511 /nfs/dbraw/zinc/01/05/11/209010511.db2.gz ULVRXCHJIQWSRR-LBPRGKRZSA-N 1 0 340.767 0.718 20 5 ECBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000419271390 209046973 /nfs/dbraw/zinc/04/69/73/209046973.db2.gz ONYLDJNMEFESFG-GXFFZTMASA-N 1 0 334.376 0.934 20 5 ECBDRO COc1ccc(S(=O)(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000119075498 221238163 /nfs/dbraw/zinc/23/81/63/221238163.db2.gz JDLFJQZJHRIYBY-UWVGGRQHSA-N 1 0 329.378 0.974 20 5 ECBDRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000419364425 209069988 /nfs/dbraw/zinc/06/99/88/209069988.db2.gz ZNSDRLMUTUFMCN-AWEZNQCLSA-N 1 0 348.403 0.841 20 5 ECBDRO Cc1ccc(S(=O)(=O)N2CCO[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000116900888 292176462 /nfs/dbraw/zinc/17/64/62/292176462.db2.gz IFPVXWRTDGRPEV-GFCCVEGCSA-N 1 0 343.405 0.854 20 5 ECBDRO COCCOC1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075747317 296618804 /nfs/dbraw/zinc/61/88/04/296618804.db2.gz GSCUMUOTKKKPJV-ZDUSSCGKSA-N 1 0 328.369 0.280 20 5 ECBDRO CO[C@H]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000359210835 299822749 /nfs/dbraw/zinc/82/27/49/299822749.db2.gz IZJIBHLSKBTYIV-STQMWFEESA-N 1 0 336.392 0.996 20 5 ECBDRO NC(=O)C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248446849 165174673 /nfs/dbraw/zinc/17/46/73/165174673.db2.gz HBRAQHCPSXDJSP-STQMWFEESA-N 1 0 337.376 0.922 20 5 ECBDRO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[NH2+]C1 ZINC000262063681 165284419 /nfs/dbraw/zinc/28/44/19/165284419.db2.gz ZYDLJTVKVGZEMW-LBPRGKRZSA-N 1 0 335.364 0.262 20 5 ECBDRO COc1ccc(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000262506893 165358207 /nfs/dbraw/zinc/35/82/07/165358207.db2.gz MOCSNDDAPAXKTJ-GFCCVEGCSA-N 1 0 329.378 0.961 20 5 ECBDRO COCC[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000262763375 165383886 /nfs/dbraw/zinc/38/38/86/165383886.db2.gz KENBFHIBFDVIDU-UHFFFAOYSA-N 1 0 333.366 0.118 20 5 ECBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000123808145 222334223 /nfs/dbraw/zinc/33/42/23/222334223.db2.gz VESDYCGCKKBGJQ-CQSZACIVSA-N 1 0 340.336 0.854 20 5 ECBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359387406 299845095 /nfs/dbraw/zinc/84/50/95/299845095.db2.gz YARJJHPAWTYZLH-GRYCIOLGSA-N 1 0 336.396 0.505 20 5 ECBDRO C[NH2+]C[C@H](C)CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000237166436 263173197 /nfs/dbraw/zinc/17/31/97/263173197.db2.gz PCTGPHCFTPGWKP-VIFPVBQESA-N 1 0 329.378 0.584 20 5 ECBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000269619101 263192766 /nfs/dbraw/zinc/19/27/66/263192766.db2.gz MKQURWITCMCNMI-STQMWFEESA-N 1 0 336.392 0.993 20 5 ECBDRO CCC(CC)(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)OC ZINC000269838572 263207407 /nfs/dbraw/zinc/20/74/07/263207407.db2.gz DNRILFNMJDLTQE-LBPRGKRZSA-N 1 0 328.369 0.721 20 5 ECBDRO CS[C@H]1CN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C[C@@H]1[NH+](C)C ZINC000270960053 263289400 /nfs/dbraw/zinc/28/94/00/263289400.db2.gz RCZMJSQUVLIXPV-UWVGGRQHSA-N 1 0 327.410 0.754 20 5 ECBDRO COCC[N@H+](C)CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272268421 263342655 /nfs/dbraw/zinc/34/26/55/263342655.db2.gz CALNNMPATTVXBU-UHFFFAOYSA-N 1 0 325.321 0.632 20 5 ECBDRO COCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](C)C(N)=O ZINC000283143488 264087858 /nfs/dbraw/zinc/08/78/58/264087858.db2.gz BUSNBIAOTIQWIV-LLVKDONJSA-N 1 0 338.364 0.746 20 5 ECBDRO CN(C(=O)CN1CC[C@H]2[C@@H](C1)NC(=O)N2C)c1ccc([N+](=O)[O-])cc1 ZINC000286088235 264368615 /nfs/dbraw/zinc/36/86/15/264368615.db2.gz VCQVYQRRHPQWNV-KGLIPLIRSA-N 1 0 347.375 0.656 20 5 ECBDRO CC[NH+]1CCN(CCNc2nc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000286273651 264385067 /nfs/dbraw/zinc/38/50/67/264385067.db2.gz WPQPMPDZKAAOHD-UHFFFAOYSA-N 1 0 337.380 0.826 20 5 ECBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000288128658 264505475 /nfs/dbraw/zinc/50/54/75/264505475.db2.gz AOIMBFOPXVGEJA-CYBMUJFWSA-N 1 0 337.376 0.937 20 5 ECBDRO C[NH+](C)C[C@](C)(O)CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000295151481 265048326 /nfs/dbraw/zinc/04/83/26/265048326.db2.gz CDUGPRQNVGXGDW-MRXNPFEDSA-N 1 0 337.376 0.987 20 5 ECBDRO C[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H](C)CO ZINC000295796152 265080055 /nfs/dbraw/zinc/08/00/55/265080055.db2.gz SBOVCNVSISRYHN-RKDXNWHRSA-N 1 0 325.321 0.869 20 5 ECBDRO C[C@@H]1C[NH+](CCCNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[C@@H](C)O1 ZINC000298297544 265235169 /nfs/dbraw/zinc/23/51/69/265235169.db2.gz FNUUKLMWMGCEAZ-GHMZBOCLSA-N 1 0 338.364 0.925 20 5 ECBDRO CO[C@H](C)[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000268801262 274075898 /nfs/dbraw/zinc/07/58/98/274075898.db2.gz GGBVXPFMAHKNKO-WDEREUQCSA-N 1 0 331.394 0.886 20 5 ECBDRO C[C@@H](O)C[N@@H+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000189561016 274269435 /nfs/dbraw/zinc/26/94/35/274269435.db2.gz HBQWRIDLQGYGNM-CHWSQXEVSA-N 1 0 336.392 0.920 20 5 ECBDRO C[NH2+]C[C@@H]1CCCN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000430555256 277278538 /nfs/dbraw/zinc/27/85/38/277278538.db2.gz 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C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000517935963 301715535 /nfs/dbraw/zinc/71/55/35/301715535.db2.gz KGHRSAXCYWNTJN-WDEREUQCSA-N 1 0 338.364 0.332 20 5 ECBDRO C[NH+](C)[C@H]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000109124101 436623952 /nfs/dbraw/zinc/62/39/52/436623952.db2.gz LNKIUSXICYWUFE-ZDUSSCGKSA-N 1 0 330.348 0.952 20 5 ECBDRO Cc1c(C(=O)NC[C@H]([NH3+])C2CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000137453379 436657614 /nfs/dbraw/zinc/65/76/14/436657614.db2.gz NGHKVCKWYQEISP-ZDUSSCGKSA-N 1 0 330.348 0.951 20 5 ECBDRO CS(=O)(=O)c1cc(C(=O)NCC2CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000120670184 436695510 /nfs/dbraw/zinc/69/55/10/436695510.db2.gz YXAMKTCWXCDOLO-UHFFFAOYSA-N 1 0 341.389 0.728 20 5 ECBDRO CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](C[NH3+])C1 ZINC000120787115 436698185 /nfs/dbraw/zinc/69/81/85/436698185.db2.gz MVLCKGMBPJKGMO-SNVBAGLBSA-N 1 0 348.812 0.512 20 5 ECBDRO C[C@H]1C[NH+](CCCNC(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 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436881886 /nfs/dbraw/zinc/88/18/86/436881886.db2.gz KDSSEHJPDCYBRA-CYBMUJFWSA-N 1 0 334.376 0.622 20 5 ECBDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000161482466 436892473 /nfs/dbraw/zinc/89/24/73/436892473.db2.gz NBSOLLPARHPZJQ-LBPRGKRZSA-N 1 0 335.357 0.325 20 5 ECBDRO [NH3+][C@H](CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000261960617 436898222 /nfs/dbraw/zinc/89/82/22/436898222.db2.gz RWAOPGJYXMBVOV-SNVBAGLBSA-N 1 0 340.767 0.832 20 5 ECBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000262145674 436911200 /nfs/dbraw/zinc/91/12/00/436911200.db2.gz YKBVEBAMTATNQG-GFCCVEGCSA-N 1 0 334.376 0.723 20 5 ECBDRO C[N@@H+]1CC[C@H]2OCCN(CC(=O)Nc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000284744143 437068054 /nfs/dbraw/zinc/06/80/54/437068054.db2.gz DVSCZOMAILZLPE-LSDHHAIUSA-N 1 0 334.376 0.938 20 5 ECBDRO NC(=O)N1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000264707632 437069089 /nfs/dbraw/zinc/06/90/89/437069089.db2.gz 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CN(C(=O)CN1CC[C@@H]2OCC(=O)N[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000366810007 438131046 /nfs/dbraw/zinc/13/10/46/438131046.db2.gz PRZADEAMOQVZDV-KBPBESRZSA-N 1 0 348.359 0.147 20 5 ECBDRO C[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H](c1ccccc1)[NH+](C)C ZINC000349222352 438142300 /nfs/dbraw/zinc/14/23/00/438142300.db2.gz YRYCBZOYFWATOT-RISCZKNCSA-N 1 0 332.364 0.994 20 5 ECBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000358228299 438186774 /nfs/dbraw/zinc/18/67/74/438186774.db2.gz FKJVGOAZNUIWKX-LRDDRELGSA-N 1 0 336.392 0.968 20 5 ECBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000366982190 438151730 /nfs/dbraw/zinc/15/17/30/438151730.db2.gz MPUMIYQNNLZFQV-MNOVXSKESA-N 1 0 347.780 0.610 20 5 ECBDRO C[C@@H](C[NH3+])NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000418565474 438160108 /nfs/dbraw/zinc/16/01/08/438160108.db2.gz LIMXCFLPGLONRG-NSHDSACASA-N 1 0 335.364 0.409 20 5 ECBDRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCCCCc1ccc([N+](=O)[O-])cc1 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RJHZBKCJHVCVJM-ZWNOBZJWSA-N 1 0 329.378 0.579 20 5 ECBDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000369358238 438460977 /nfs/dbraw/zinc/46/09/77/438460977.db2.gz KOUCUZYNBZKDBD-ZDUSSCGKSA-N 1 0 336.396 0.030 20 5 ECBDRO CC[C@@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000439159512 438502117 /nfs/dbraw/zinc/50/21/17/438502117.db2.gz JJRRNYYLFWALTD-VXGBXAGGSA-N 1 0 336.392 0.975 20 5 ECBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@]1(CO)CCOC1 ZINC000359843006 438507760 /nfs/dbraw/zinc/50/77/60/438507760.db2.gz QUHGKEVWKAZEDB-HIFRSBDPSA-N 1 0 326.349 0.418 20 5 ECBDRO NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000369825209 438521117 /nfs/dbraw/zinc/52/11/17/438521117.db2.gz GZQLCMGGWXBAAX-ASEORRQLSA-N 1 0 337.380 0.271 20 5 ECBDRO [NH3+][C@H]1CCC[C@H]1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422951018 438620245 /nfs/dbraw/zinc/62/02/45/438620245.db2.gz ZKVWRSCYEPKOKK-QWHCGFSZSA-N 1 0 328.394 0.343 20 5 ECBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1CCCC[N@H+]1CCO ZINC000452789839 438672898 /nfs/dbraw/zinc/67/28/98/438672898.db2.gz BPPUGQHGSWMSGN-CYBMUJFWSA-N 1 0 336.392 0.970 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000423475149 438680354 /nfs/dbraw/zinc/68/03/54/438680354.db2.gz RQBCFPPHRUDGEF-NWDGAFQWSA-N 1 0 334.376 0.829 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2cnc(C3CC3)nc2)c1 ZINC000574912254 438727579 /nfs/dbraw/zinc/72/75/79/438727579.db2.gz VXAZENNRWXAAHK-CQSZACIVSA-N 1 0 332.364 0.652 20 5 ECBDRO C[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C(=O)NCC[NH+](C)C ZINC000576417927 438782198 /nfs/dbraw/zinc/78/21/98/438782198.db2.gz ZAOSLDHUGXDCPO-SNVBAGLBSA-N 1 0 347.375 0.872 20 5 ECBDRO Cc1nn(C)c(NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)c1[N+](=O)[O-] ZINC000601176991 438827964 /nfs/dbraw/zinc/82/79/64/438827964.db2.gz OYGRKZOFUYYHNW-GFCCVEGCSA-N 1 0 336.396 0.744 20 5 ECBDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595668626 438842436 /nfs/dbraw/zinc/84/24/36/438842436.db2.gz USVSFDJSVVRSPN-KWCYVHTRSA-N 1 0 340.332 0.255 20 5 ECBDRO C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C(=O)NCC[NH+](C)C ZINC000588873796 438846239 /nfs/dbraw/zinc/84/62/39/438846239.db2.gz PJIXFQQIDQMEDF-GFCCVEGCSA-N 1 0 336.392 0.710 20 5 ECBDRO CN(CC(C)(C)[NH3+])C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000595961231 438903394 /nfs/dbraw/zinc/90/33/94/438903394.db2.gz JSOPVZXBIGMFHD-UHFFFAOYSA-N 1 0 337.380 0.590 20 5 ECBDRO CC[C@@H]([NH2+]C)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000595920798 438884791 /nfs/dbraw/zinc/88/47/91/438884791.db2.gz WQZXIGUYTPKACA-SNVBAGLBSA-N 1 0 340.405 0.939 20 5 ECBDRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000595930861 438887678 /nfs/dbraw/zinc/88/76/78/438887678.db2.gz XTUHWDBFECKFLG-DOMZBBRYSA-N 1 0 334.376 0.607 20 5 ECBDRO C[NH2+]C[C@@H](C)NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000595981924 438909182 /nfs/dbraw/zinc/90/91/82/438909182.db2.gz HFEXFVDWNJZBPG-MRVPVSSYSA-N 1 0 326.378 0.510 20 5 ECBDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000596070191 438920105 /nfs/dbraw/zinc/92/01/05/438920105.db2.gz NUMGINHGPTXPAU-UHOFOFEASA-N 1 0 334.376 0.906 20 5 ECBDRO CNc1nccc(C(=O)NCCC[N@H+](C)CCOC)c1[N+](=O)[O-] ZINC000590423817 438921673 /nfs/dbraw/zinc/92/16/73/438921673.db2.gz OXFWCUIJKSFTEY-UHFFFAOYSA-N 1 0 325.369 0.730 20 5 ECBDRO CCOC(=O)c1cc(C(=O)N2CCOC3(C[NH2+]C3)C2)cc([N+](=O)[O-])c1 ZINC000596098086 438924885 /nfs/dbraw/zinc/92/48/85/438924885.db2.gz MJFVCBJLJWUOBP-UHFFFAOYSA-N 1 0 349.343 0.586 20 5 ECBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCOC2(C[NH2+]C2)C1 ZINC000596105048 438925984 /nfs/dbraw/zinc/92/59/84/438925984.db2.gz LXWGZAJMUZYZJR-UHFFFAOYSA-N 1 0 343.343 0.595 20 5 ECBDRO Cc1nn(C)c(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000590565678 438933907 /nfs/dbraw/zinc/93/39/07/438933907.db2.gz PJNJJYAVWKFSKP-RYUDHWBXSA-N 1 0 337.380 0.572 20 5 ECBDRO C[NH+](C)[C@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000590586772 438936274 /nfs/dbraw/zinc/93/62/74/438936274.db2.gz SLMYJINNEQHQHJ-QWRGUYRKSA-N 1 0 333.341 0.029 20 5 ECBDRO NC(=O)[C@H]1CC[C@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])O1 ZINC000565359372 438944221 /nfs/dbraw/zinc/94/42/21/438944221.db2.gz VBWLWKSBYJGCPP-ZWNOBZJWSA-N 1 0 336.348 0.546 20 5 ECBDRO CNS(=O)(=O)c1ccc(N2CC(C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000596246519 438946830 /nfs/dbraw/zinc/94/68/30/438946830.db2.gz GNMHURUOFGTKII-UHFFFAOYSA-N 1 0 328.394 0.501 20 5 ECBDRO Cc1ccc2nc(C[NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)cn2c1 ZINC000578740542 438950188 /nfs/dbraw/zinc/95/01/88/438950188.db2.gz MENHMIBAVBKRLD-AWEZNQCLSA-N 1 0 330.348 0.898 20 5 ECBDRO C[C@H]1NC(=O)N(CC[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000459380571 438964177 /nfs/dbraw/zinc/96/41/77/438964177.db2.gz QKLWICGCVRZIRV-GHMZBOCLSA-N 1 0 348.363 0.416 20 5 ECBDRO CN1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000565656331 438969872 /nfs/dbraw/zinc/96/98/72/438969872.db2.gz LCPAIAQOXGWYPY-CQSZACIVSA-N 1 0 347.419 0.910 20 5 ECBDRO C[C@]1(F)C[NH2+]CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000601981764 438995616 /nfs/dbraw/zinc/99/56/16/438995616.db2.gz XFSKYGIXTXEKHM-AWEZNQCLSA-N 1 0 340.359 0.359 20 5 ECBDRO Cc1c(NC(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000591299580 438998094 /nfs/dbraw/zinc/99/80/94/438998094.db2.gz LWKMKPTTXAFOSC-MFKMUULPSA-N 1 0 336.348 0.416 20 5 ECBDRO COc1ccccc1[C@H]([NH3+])CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000591681017 439061052 /nfs/dbraw/zinc/06/10/52/439061052.db2.gz MGAGXOBFDGMYJF-CYBMUJFWSA-N 1 0 346.343 0.581 20 5 ECBDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000591578169 439023524 /nfs/dbraw/zinc/02/35/24/439023524.db2.gz JGUZQNXRAIRISS-GFCCVEGCSA-N 1 0 332.360 0.300 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000566761045 439087182 /nfs/dbraw/zinc/08/71/82/439087182.db2.gz CEDWGOMBHBZVOI-IUODEOHRSA-N 1 0 337.376 0.907 20 5 ECBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000602525682 439104914 /nfs/dbraw/zinc/10/49/14/439104914.db2.gz HGSWSWYQKIXALK-UHFFFAOYSA-N 1 0 347.375 0.378 20 5 ECBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CN(C)CCO1 ZINC000591756691 439081237 /nfs/dbraw/zinc/08/12/37/439081237.db2.gz QBZGWZODDIEGAW-BJJXKVORSA-N 1 0 339.392 0.643 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2ccc3c[nH]nc3c2)c1 ZINC000591765815 439083000 /nfs/dbraw/zinc/08/30/00/439083000.db2.gz JSCBITOQTRMNPQ-AWEZNQCLSA-N 1 0 330.348 0.861 20 5 ECBDRO CCOC(=O)C[C@H]1C[C@H](OC)CN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602621833 439119163 /nfs/dbraw/zinc/11/91/63/439119163.db2.gz SRBLQARGWLSTRY-NEPJUHHUSA-N 1 0 326.353 0.871 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000597624801 439140820 /nfs/dbraw/zinc/14/08/20/439140820.db2.gz LIBRUQCCZWFWLG-CYBMUJFWSA-N 1 0 334.376 0.723 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@@H+](C)C[C@@H]1CO ZINC000602906160 439156373 /nfs/dbraw/zinc/15/63/73/439156373.db2.gz QIOKHOWIWKPJLN-CQSZACIVSA-N 1 0 336.392 0.840 20 5 ECBDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000597680544 439158555 /nfs/dbraw/zinc/15/85/55/439158555.db2.gz WGIRKOMWYUFRQX-NSHDSACASA-N 1 0 337.380 0.654 20 5 ECBDRO [NH3+][C@@H]1C[C@@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)CCN2C1=O ZINC000581022678 439160328 /nfs/dbraw/zinc/16/03/28/439160328.db2.gz DRGRRVZGVGIBLK-NXEZZACHSA-N 1 0 328.332 0.286 20 5 ECBDRO CCc1n[nH]c(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000597694805 439162629 /nfs/dbraw/zinc/16/26/29/439162629.db2.gz NXOBYQGAMUGCFA-VXGBXAGGSA-N 1 0 337.380 0.816 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000592389760 439220716 /nfs/dbraw/zinc/22/07/16/439220716.db2.gz GDRBYNWWTJYLHF-QWRGUYRKSA-N 1 0 341.389 0.976 20 5 ECBDRO CC(=O)c1cc([N+](=O)[O-])ccc1OC[C@H](O)CN1CC[NH+](C)CC1 ZINC000568008955 439203504 /nfs/dbraw/zinc/20/35/04/439203504.db2.gz QSOYRSAVQDAMID-CQSZACIVSA-N 1 0 337.376 0.785 20 5 ECBDRO C[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CO1 ZINC000592363455 439212194 /nfs/dbraw/zinc/21/21/94/439212194.db2.gz ZBNWEDGUSWEOHR-MNOVXSKESA-N 1 0 329.378 0.640 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000592371035 439212202 /nfs/dbraw/zinc/21/22/02/439212202.db2.gz BJIIMWLLOAYPTB-NXEZZACHSA-N 1 0 329.378 0.961 20 5 ECBDRO Cc1cc(S(=O)(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000592373812 439212643 /nfs/dbraw/zinc/21/26/43/439212643.db2.gz CROBYEUYMBBMCK-GXFFZTMASA-N 1 0 329.378 0.640 20 5 ECBDRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525688604 439212952 /nfs/dbraw/zinc/21/29/52/439212952.db2.gz FKRPEWINACDLMV-UHFFFAOYSA-N 1 0 328.394 0.952 20 5 ECBDRO COCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCO[C@@H]1C ZINC000489446079 439229539 /nfs/dbraw/zinc/22/95/39/439229539.db2.gz GBMCYFQONVHCAS-TZMCWYRMSA-N 1 0 325.365 0.882 20 5 ECBDRO CN(CCN1CC[NH2+]CC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000592472075 439235929 /nfs/dbraw/zinc/23/59/29/439235929.db2.gz IALJDCBTLMDIFP-MRXNPFEDSA-N 1 0 347.419 0.537 20 5 ECBDRO C[C@@H]([NH3+])[C@@H]1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592475947 439236747 /nfs/dbraw/zinc/23/67/47/439236747.db2.gz WZEZDGIDGOAKFU-RISCZKNCSA-N 1 0 343.405 0.417 20 5 ECBDRO C[C@H]1COCCN1CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000582057282 439283903 /nfs/dbraw/zinc/28/39/03/439283903.db2.gz BYTYYQQRORFXFE-ZFWWWQNUSA-N 1 0 339.392 0.645 20 5 ECBDRO Nc1nccc(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000598451212 439263977 /nfs/dbraw/zinc/26/39/77/439263977.db2.gz QZLSHIIJPUNJHK-LLVKDONJSA-N 1 0 335.364 0.243 20 5 ECBDRO CNc1nccc(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000598450289 439264899 /nfs/dbraw/zinc/26/48/99/439264899.db2.gz COBZVOWJQKBRMU-GFCCVEGCSA-N 1 0 349.391 0.703 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCN2CCc3ccccc3C2)c1 ZINC000582279875 439312106 /nfs/dbraw/zinc/31/21/06/439312106.db2.gz QZQGYMQWCAATDJ-KRWDZBQOSA-N 1 0 345.403 0.800 20 5 ECBDRO CN(CCC[NH+](C)C)CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000598765749 439314080 /nfs/dbraw/zinc/31/40/80/439314080.db2.gz GLVGPOWRTHQTTM-UHFFFAOYSA-N 1 0 325.369 0.309 20 5 ECBDRO Cc1cc(C(=O)N(C)CC(=O)N2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000604450385 439315183 /nfs/dbraw/zinc/31/51/83/439315183.db2.gz GGYJVQQSZKLPPA-UHFFFAOYSA-N 1 0 334.376 0.749 20 5 ECBDRO CC(C)N1CC(NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598904363 439325509 /nfs/dbraw/zinc/32/55/09/439325509.db2.gz DINHDGLVBDAFSW-UHFFFAOYSA-N 1 0 335.364 0.925 20 5 ECBDRO O=C(NCC(=O)N1CCn2cncc2C1)Nc1cccc([N+](=O)[O-])c1 ZINC000598903426 439325522 /nfs/dbraw/zinc/32/55/22/439325522.db2.gz RWASNAMEGHODHG-UHFFFAOYSA-N 1 0 344.331 0.955 20 5 ECBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000569379441 439327550 /nfs/dbraw/zinc/32/75/50/439327550.db2.gz CRUNLXGZNLXEIM-IJLUTSLNSA-N 1 0 347.375 0.166 20 5 ECBDRO COc1cccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1OC ZINC000569430535 439330217 /nfs/dbraw/zinc/33/02/17/439330217.db2.gz FXZFPPCFNBPMKB-ZDUSSCGKSA-N 1 0 336.348 0.959 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1CN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593053130 439333753 /nfs/dbraw/zinc/33/37/53/439333753.db2.gz XKVOLUWZFJSXMO-UHFFFAOYSA-N 1 0 336.392 0.809 20 5 ECBDRO C[C@@H]1CN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])C[C@H](C)N1C ZINC000598628400 439291214 /nfs/dbraw/zinc/29/12/14/439291214.db2.gz SMTYSMVVJDYMOI-TXEJJXNPSA-N 1 0 336.396 0.750 20 5 ECBDRO CC1(C)CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000598664597 439297713 /nfs/dbraw/zinc/29/77/13/439297713.db2.gz HAIYJCIRNLGPDN-UHFFFAOYSA-N 1 0 335.364 0.927 20 5 ECBDRO Cc1ccc(S(=O)(=O)N2CCCO[C@H](C[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000598713355 439305219 /nfs/dbraw/zinc/30/52/19/439305219.db2.gz BIESQZJEAYVRHV-GFCCVEGCSA-N 1 0 343.405 0.950 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCOCCC[NH3+] ZINC000599110222 439361678 /nfs/dbraw/zinc/36/16/78/439361678.db2.gz LRFBFOHHSGHNRK-UHFFFAOYSA-N 1 0 333.366 0.247 20 5 ECBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CC[C@@H](O)C1 ZINC000599085260 439354170 /nfs/dbraw/zinc/35/41/70/439354170.db2.gz OBFHOAJNLVSYFW-IUODEOHRSA-N 1 0 336.392 0.968 20 5 ECBDRO Cc1c(CC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cccc1[N+](=O)[O-] ZINC000593235376 439354532 /nfs/dbraw/zinc/35/45/32/439354532.db2.gz OTMKOHHQHHECKB-UHFFFAOYSA-N 1 0 348.403 0.678 20 5 ECBDRO Cc1c(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cccc1[N+](=O)[O-] ZINC000593234703 439355352 /nfs/dbraw/zinc/35/53/52/439355352.db2.gz HPFPPWSHFYTSJG-UHFFFAOYSA-N 1 0 334.376 0.749 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)n1 ZINC000599100737 439357025 /nfs/dbraw/zinc/35/70/25/439357025.db2.gz MWLOFQULJLJSOD-GHMZBOCLSA-N 1 0 343.409 0.481 20 5 ECBDRO C[NH+](C)CCN1CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000593316813 439367571 /nfs/dbraw/zinc/36/75/71/439367571.db2.gz YAOZAHNSJQFEKL-UHFFFAOYSA-N 1 0 349.391 0.510 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000599260774 439403559 /nfs/dbraw/zinc/40/35/59/439403559.db2.gz FFLUZIRKAOFPTJ-WDEREUQCSA-N 1 0 343.409 0.433 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000599260773 439405009 /nfs/dbraw/zinc/40/50/09/439405009.db2.gz FFLUZIRKAOFPTJ-QWRGUYRKSA-N 1 0 343.409 0.433 20 5 ECBDRO C[NH+](C)CC(=O)N1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000583004367 439405725 /nfs/dbraw/zinc/40/57/25/439405725.db2.gz ABBIBYSCWQJQLB-UHFFFAOYSA-N 1 0 332.364 0.681 20 5 ECBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC000593650131 439436586 /nfs/dbraw/zinc/43/65/86/439436586.db2.gz SBNVNKUJAGXABJ-GFCCVEGCSA-N 1 0 341.389 0.343 20 5 ECBDRO CON1CCC([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000583317441 439447823 /nfs/dbraw/zinc/44/78/23/439447823.db2.gz IVEYZLPPJZBOFF-UHFFFAOYSA-N 1 0 343.405 0.984 20 5 ECBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000570812809 439453476 /nfs/dbraw/zinc/45/34/76/439453476.db2.gz JPGUKXKTTLKFHL-WCQYABFASA-N 1 0 349.391 0.732 20 5 ECBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594028015 439508486 /nfs/dbraw/zinc/50/84/86/439508486.db2.gz YXDDBIALWPVGOQ-TUKIKUTGSA-N 1 0 334.376 0.673 20 5 ECBDRO CC[N@H+](C)C[C@H](O)CN[C@@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000599648762 439527469 /nfs/dbraw/zinc/52/74/69/439527469.db2.gz FFEQKDPVARXBOF-GDBMZVCRSA-N 1 0 339.392 0.885 20 5 ECBDRO Nc1nccc(C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000594255643 439531284 /nfs/dbraw/zinc/53/12/84/439531284.db2.gz JACKQCWTQMTVPU-GFCCVEGCSA-N 1 0 349.391 0.899 20 5 ECBDRO C[C@H]1CN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C[C@@H]1[NH3+] ZINC000583988738 439534953 /nfs/dbraw/zinc/53/49/53/439534953.db2.gz ZPUMFAFNMRATRP-GWCFXTLKSA-N 1 0 332.360 0.285 20 5 ECBDRO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000599688666 439536558 /nfs/dbraw/zinc/53/65/58/439536558.db2.gz LIKNIWLONFCOMD-GFQSEFKGSA-N 1 0 340.380 0.814 20 5 ECBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000571551786 439512020 /nfs/dbraw/zinc/51/20/20/439512020.db2.gz UZFMAZIOJCRPBB-LLVKDONJSA-N 1 0 337.380 0.393 20 5 ECBDRO COCC[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000594568888 439577622 /nfs/dbraw/zinc/57/76/22/439577622.db2.gz GBDNOXZTSZXXJG-ZDUSSCGKSA-N 1 0 335.364 0.792 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000599939247 439579981 /nfs/dbraw/zinc/57/99/81/439579981.db2.gz UCDIXCIOGBDUEL-STQMWFEESA-N 1 0 335.360 0.885 20 5 ECBDRO CCN(CC[NH3+])C(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000599947070 439582485 /nfs/dbraw/zinc/58/24/85/439582485.db2.gz OSVNGMYIPQURDT-UHFFFAOYSA-N 1 0 336.392 0.841 20 5 ECBDRO CO[C@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000594718561 439594996 /nfs/dbraw/zinc/59/49/96/439594996.db2.gz SSHSIOOZQWELLD-XNRPHZJLSA-N 1 0 340.376 0.976 20 5 ECBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000610259685 439606158 /nfs/dbraw/zinc/60/61/58/439606158.db2.gz QBGZLNXPSHTRPK-UHFFFAOYSA-N 1 0 349.372 0.896 20 5 ECBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594878127 439637049 /nfs/dbraw/zinc/63/70/49/439637049.db2.gz OFOZMRLDFNQHKF-QWHCGFSZSA-N 1 0 346.387 0.904 20 5 ECBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CS(=O)(=O)C[C@H]1OC ZINC000594967380 439644307 /nfs/dbraw/zinc/64/43/07/439644307.db2.gz XWFIQBJZMGELPY-TZMCWYRMSA-N 1 0 344.389 0.895 20 5 ECBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000600408740 439653578 /nfs/dbraw/zinc/65/35/78/439653578.db2.gz APIYDKYMYOUSIH-UHFFFAOYSA-N 1 0 337.380 0.655 20 5 ECBDRO CN1CCOC[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000600754083 439699342 /nfs/dbraw/zinc/69/93/42/439699342.db2.gz DSJVOUKDFJZWKE-CHWSQXEVSA-N 1 0 325.365 0.255 20 5 ECBDRO O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000595257677 439683677 /nfs/dbraw/zinc/68/36/77/439683677.db2.gz NWPMQRKOLMOYIA-LBPRGKRZSA-N 1 0 332.320 0.486 20 5 ECBDRO C[C@@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@@H+]1CCO ZINC000614662901 439783942 /nfs/dbraw/zinc/78/39/42/439783942.db2.gz WGLGCKJPQVOYQZ-GFCCVEGCSA-N 1 0 337.376 0.864 20 5 ECBDRO CCCc1n[nH]c(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000618923388 440178265 /nfs/dbraw/zinc/17/82/65/440178265.db2.gz ICBXKTZTGWXXKV-HNNXBMFYSA-N 1 0 339.396 0.799 20 5 ECBDRO CS[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1[NH+](C)C ZINC000330502997 320831391 /nfs/dbraw/zinc/83/13/91/320831391.db2.gz YIDAAJKAZGAFKR-RYUDHWBXSA-N 1 0 340.405 0.261 20 5 ECBDRO O=C(NCCCC[NH+]1CCN(CCO)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000340233444 321026675 /nfs/dbraw/zinc/02/66/75/321026675.db2.gz VXDYLAOPXYUOJU-UHFFFAOYSA-N 1 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COC(=O)COc1ccc(C[NH2+][C@]2(CO)CCOC2)cc1[N+](=O)[O-] ZINC000353230884 321385928 /nfs/dbraw/zinc/38/59/28/321385928.db2.gz IGIJPUZDDNHWIF-HNNXBMFYSA-N 1 0 340.332 0.388 20 5 ECBDRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000353256497 321387141 /nfs/dbraw/zinc/38/71/41/321387141.db2.gz FYXMWZPJNVWNJD-UHFFFAOYSA-N 1 0 332.320 0.731 20 5 ECBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000534275076 322073803 /nfs/dbraw/zinc/07/38/03/322073803.db2.gz SNQHFLQVMZBDFS-HNNXBMFYSA-N 1 0 334.376 0.480 20 5 ECBDRO Cc1nn(CCC(=O)NCCOCC[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000538682784 322081061 /nfs/dbraw/zinc/08/10/61/322081061.db2.gz ZQRWVJBXAUPVBE-UHFFFAOYSA-N 1 0 327.385 0.493 20 5 ECBDRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C2)CC1 ZINC000556930577 322200017 /nfs/dbraw/zinc/20/00/17/322200017.db2.gz TVBZEFRWVNQCQA-LBPRGKRZSA-N 1 0 336.396 0.558 20 5 ECBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000562824421 322286299 /nfs/dbraw/zinc/28/62/99/322286299.db2.gz DWJWKYHAIXPQRK-SMDDNHRTSA-N 1 0 334.376 0.939 20 5 ECBDRO C[C@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000564852029 322399687 /nfs/dbraw/zinc/39/96/87/322399687.db2.gz UPCHJGHCGYZJOX-GHMZBOCLSA-N 1 0 332.378 0.357 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000564854000 322400285 /nfs/dbraw/zinc/40/02/85/322400285.db2.gz KFBGNZUXTTXPPK-IACUBPJLSA-N 1 0 342.421 0.797 20 5 ECBDRO CC(C)N1C[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000567682372 322592551 /nfs/dbraw/zinc/59/25/51/322592551.db2.gz OYFZEAGVFUZRAY-OCCSQVGLSA-N 1 0 337.376 0.933 20 5 ECBDRO COCC[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000574763441 322785129 /nfs/dbraw/zinc/78/51/29/322785129.db2.gz SIWUDMYORUGPOK-UHFFFAOYSA-N 1 0 343.405 0.984 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H](CO)Cc1cccnc1 ZINC000575312466 322793601 /nfs/dbraw/zinc/79/36/01/322793601.db2.gz SONSCNTXGMPEQV-CABCVRRESA-N 1 0 347.371 0.923 20 5 ECBDRO Cc1c(C(=O)N(C)C2CC([NH3+])C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000578988238 322882137 /nfs/dbraw/zinc/88/21/37/322882137.db2.gz TXOSMJYREMOAGX-UHFFFAOYSA-N 1 0 342.377 0.112 20 5 ECBDRO C[C@H](NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000579142462 322888121 /nfs/dbraw/zinc/88/81/21/322888121.db2.gz PDUJZGFGRXEDBT-GVXVVHGQSA-N 1 0 347.375 0.609 20 5 ECBDRO CCCN(C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000579334003 322892868 /nfs/dbraw/zinc/89/28/68/322892868.db2.gz XNALPWLAIUJVIO-CQSZACIVSA-N 1 0 334.376 0.812 20 5 ECBDRO CC[N@H+](CCO)CCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000184335979 528552047 /nfs/dbraw/zinc/55/20/47/528552047.db2.gz OLCGBPJCFHSRPE-UHFFFAOYSA-N 1 0 331.394 0.496 20 5 ECBDRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000193331897 536363568 /nfs/dbraw/zinc/36/35/68/536363568.db2.gz NRHBOGPDDUWVCL-SNVBAGLBSA-N 1 0 329.378 0.976 20 5 ECBDRO 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ZINC000611106889 439672788 /nfs/dbraw/zinc/67/27/88/439672788.db2.gz XDDVBNWNQLJYGT-MWLCHTKSSA-N 1 0 343.409 0.572 20 5 ECBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000600808687 439704006 /nfs/dbraw/zinc/70/40/06/439704006.db2.gz PDQAZPKTKLDHJG-ZDUSSCGKSA-N 1 0 334.376 0.966 20 5 ECBDRO C[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000611572441 439706878 /nfs/dbraw/zinc/70/68/78/439706878.db2.gz ARWMPDDJICBGRY-RYUDHWBXSA-N 1 0 336.396 0.956 20 5 ECBDRO CC[NH+](CC)CC(=O)N1CCN(Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595301634 439694615 /nfs/dbraw/zinc/69/46/15/439694615.db2.gz HCAVPBBEMWAAGP-UHFFFAOYSA-N 1 0 339.396 0.877 20 5 ECBDRO Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000600744436 439696899 /nfs/dbraw/zinc/69/68/99/439696899.db2.gz FVOFWXILWDGTDN-SECBINFHSA-N 1 0 348.285 0.694 20 5 ECBDRO CC(C)[C@@](C)([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000289470577 320669016 /nfs/dbraw/zinc/66/90/16/320669016.db2.gz YZLVLGDYIBWWHW-SWLSCSKDSA-N 1 0 325.365 0.824 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1CC[NH2+]CC1 ZINC000314885890 320705438 /nfs/dbraw/zinc/70/54/38/320705438.db2.gz ZRWNMRPCCNYUJK-UHFFFAOYSA-N 1 0 329.378 0.881 20 5 ECBDRO CC(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C(=O)NCC[NH+](C)C ZINC000340412535 321041912 /nfs/dbraw/zinc/04/19/12/321041912.db2.gz MEKCMAVAMKXFJM-LBPRGKRZSA-N 1 0 339.396 0.745 20 5 ECBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000344724574 321161383 /nfs/dbraw/zinc/16/13/83/321161383.db2.gz TXVIDKPMGJKSAV-ZDUSSCGKSA-N 1 0 336.392 0.993 20 5 ECBDRO C[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)[NH+](C)C ZINC000347245793 321235259 /nfs/dbraw/zinc/23/52/59/321235259.db2.gz IJZSYGSLUBSYFA-QWRGUYRKSA-N 1 0 338.364 0.859 20 5 ECBDRO Cc1c(CC(=O)N(C)CC(=O)N2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000353049979 321379338 /nfs/dbraw/zinc/37/93/38/321379338.db2.gz TYNZWISCWBIXRN-UHFFFAOYSA-N 1 0 334.376 0.336 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CCC[C@H](C[NH2+]C)C2)c([N+](=O)[O-])n1 ZINC000353214196 321385679 /nfs/dbraw/zinc/38/56/79/321385679.db2.gz FLAWQNZBRDZIGU-SNVBAGLBSA-N 1 0 331.398 0.431 20 5 ECBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)Cn2cncn2)cc1[N+](=O)[O-] ZINC000353768461 321413689 /nfs/dbraw/zinc/41/36/89/321413689.db2.gz OCLWQHUQVONOFB-LLVKDONJSA-N 1 0 349.347 0.916 20 5 ECBDRO O=C1CCCC(=O)N1C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000368797429 321745439 /nfs/dbraw/zinc/74/54/39/321745439.db2.gz MWZFERIUXLLJHA-UHFFFAOYSA-N 1 0 335.364 0.795 20 5 ECBDRO C[C@H](NC(=O)NCC(=O)N1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000561218236 322256531 /nfs/dbraw/zinc/25/65/31/322256531.db2.gz CLMUXYGPPPUGRG-NSHDSACASA-N 1 0 335.364 0.387 20 5 ECBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](CO)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000562383068 322272177 /nfs/dbraw/zinc/27/21/77/322272177.db2.gz QDTHGGWMGUITQL-SWLSCSKDSA-N 1 0 337.376 0.907 20 5 ECBDRO CCOC(=O)c1cc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000564469226 322376695 /nfs/dbraw/zinc/37/66/95/322376695.db2.gz CBEJXXRTKFSBMU-YPMHNXCESA-N 1 0 348.359 0.520 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000567754042 322596280 /nfs/dbraw/zinc/59/62/80/322596280.db2.gz PBJFUJOJIXUOCP-GHMZBOCLSA-N 1 0 349.347 0.379 20 5 ECBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000569379440 322652629 /nfs/dbraw/zinc/65/26/29/322652629.db2.gz CRUNLXGZNLXEIM-GRYCIOLGSA-N 1 0 347.375 0.166 20 5 ECBDRO COc1cc(C(=O)NC[C@H]2C[NH2+]CCN2C)cc([N+](=O)[O-])c1OC ZINC000570079760 322675243 /nfs/dbraw/zinc/67/52/43/322675243.db2.gz UAMLQWPGNNUVNS-LLVKDONJSA-N 1 0 338.364 0.245 20 5 ECBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000572035966 322738442 /nfs/dbraw/zinc/73/84/42/322738442.db2.gz AKYFELZDSUSTMG-HIFRSBDPSA-N 1 0 337.380 0.536 20 5 ECBDRO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000573676840 322765836 /nfs/dbraw/zinc/76/58/36/322765836.db2.gz RIZGKOKWNIAQHG-CXTNEJHOSA-N 1 0 349.387 0.933 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000576123556 322802055 /nfs/dbraw/zinc/80/20/55/322802055.db2.gz PTDXXSFVUSTDAJ-WDEREUQCSA-N 1 0 349.347 0.379 20 5 ECBDRO Cc1c(NC(=O)[C@@H](C)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000577189241 322828152 /nfs/dbraw/zinc/82/81/52/322828152.db2.gz WKPZREUHUYZRBR-UGFHNGPFSA-N 1 0 336.392 0.837 20 5 ECBDRO CC[N@H+](CCO)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000184341759 528552852 /nfs/dbraw/zinc/55/28/52/528552852.db2.gz SWARPXGYCYBHQY-UHFFFAOYSA-N 1 0 349.384 0.635 20 5 ECBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000726163895 578138693 /nfs/dbraw/zinc/13/86/93/578138693.db2.gz OQPBYZYLYHBJBR-MNOVXSKESA-N 1 0 349.343 0.917 20 5 ECBDRO COCC[N@@H+]1CC[C@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000737006367 578472599 /nfs/dbraw/zinc/47/25/99/578472599.db2.gz HAQWTWCDIUKTPH-NSHDSACASA-N 1 0 333.352 0.908 20 5 ECBDRO CNS(=O)(=O)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000784052955 578748759 /nfs/dbraw/zinc/74/87/59/578748759.db2.gz XHEBKNVMHJQIIG-UHFFFAOYSA-N 1 0 342.421 0.702 20 5 ECBDRO C[C@H]1CN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC[N@@H+]1C ZINC000761078512 579521108 /nfs/dbraw/zinc/52/11/08/579521108.db2.gz PBGFEYLNEJDXFC-JTQLQIEISA-N 1 0 336.348 0.898 20 5 ECBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)COc3ccc(C=O)cc3[N+](=O)[O-])C[C@@H]21 ZINC000836847996 588935988 /nfs/dbraw/zinc/93/59/88/588935988.db2.gz HNOKIRATCMEESO-OCCSQVGLSA-N 1 0 333.344 0.949 20 5 ECBDRO O=C(NCC(=O)N1CC[NH2+]CC1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841233418 588983884 /nfs/dbraw/zinc/98/38/84/588983884.db2.gz TUWXZBYNYBLHIF-UHFFFAOYSA-N 1 0 341.755 0.802 20 5 ECBDRO CN1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@H+](C)CC1 ZINC000888995135 586054229 /nfs/dbraw/zinc/05/42/29/586054229.db2.gz AYYUHOKQDYAFLZ-UHFFFAOYSA-N 1 0 346.391 0.791 20 5 ECBDRO Cc1nc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1[C@@H](C)O ZINC000843104750 589050623 /nfs/dbraw/zinc/05/06/23/589050623.db2.gz BCGKQDLLTUMJDP-BXUZGUMPSA-N 1 0 335.364 0.699 20 5 ECBDRO [NH3+][C@H]1CCCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000843345519 589062879 /nfs/dbraw/zinc/06/28/79/589062879.db2.gz SSCBZUVTPMVOKL-AWEZNQCLSA-N 1 0 347.419 0.667 20 5 ECBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@]1(CO)COCCN1C ZINC000903281315 586774637 /nfs/dbraw/zinc/77/46/37/586774637.db2.gz XVVPCNNFCVCLNO-WBMJQRKESA-N 1 0 341.383 0.948 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@]1(CO)COCCN1C ZINC000903280211 586774717 /nfs/dbraw/zinc/77/47/17/586774717.db2.gz UAVIXOMBFVEQMJ-WBMJQRKESA-N 1 0 339.392 0.947 20 5 ECBDRO COCC[C@@H]1C[NH2+]CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000903840374 586819830 /nfs/dbraw/zinc/81/98/30/586819830.db2.gz QEFXLRMBNGLUAB-HUUCEWRRSA-N 1 0 339.392 0.645 20 5 ECBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]C[C@@H](O)C2CC2)c1 ZINC000818980838 587463200 /nfs/dbraw/zinc/46/32/00/587463200.db2.gz JOQQBOGKQZPYAA-CYBMUJFWSA-N 1 0 329.378 0.234 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2COC3(CCCC3)O2)c1 ZINC000819205962 587472151 /nfs/dbraw/zinc/47/21/51/587472151.db2.gz TZOHITSNMAYRKW-QWHCGFSZSA-N 1 0 326.353 0.428 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2COC3(CCCCC3)O2)c1 ZINC000819209717 587472290 /nfs/dbraw/zinc/47/22/90/587472290.db2.gz KGSDCIHWBNRLHN-UONOGXRCSA-N 1 0 340.380 0.818 20 5 ECBDRO C[N@@H+]1CCO[C@H]2CN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])C[C@H]21 ZINC000821628537 587608846 /nfs/dbraw/zinc/60/88/46/587608846.db2.gz KQCDGCBJSGRLJV-OLZOCXBDSA-N 1 0 331.336 0.294 20 5 ECBDRO COCC[N@@H+]1CCC[C@@H]1CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821691577 587623195 /nfs/dbraw/zinc/62/31/95/587623195.db2.gz ZRTNBAXNVXOLNH-SNVBAGLBSA-N 1 0 348.367 0.693 20 5 ECBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CC[NH+](CC2CC2)CC1 ZINC000823620732 587734411 /nfs/dbraw/zinc/73/44/11/587734411.db2.gz PEWZRANBYZNODE-UHFFFAOYSA-N 1 0 330.352 0.702 20 5 ECBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC1CC[NH+](CCO)CC1 ZINC000823620860 587735198 /nfs/dbraw/zinc/73/51/98/587735198.db2.gz RNOCUQXHHFRONW-UHFFFAOYSA-N 1 0 334.340 0.039 20 5 ECBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000823651504 587736134 /nfs/dbraw/zinc/73/61/34/587736134.db2.gz MNDQMNCPNYYJGO-UHFFFAOYSA-N 1 0 332.299 0.900 20 5 ECBDRO C[NH+](C)CCN1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1=O ZINC000845631671 589165957 /nfs/dbraw/zinc/16/59/57/589165957.db2.gz RYCZZHNZZJWUEM-UHFFFAOYSA-N 1 0 334.336 0.341 20 5 ECBDRO Nc1nccc(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000847487791 589251056 /nfs/dbraw/zinc/25/10/56/589251056.db2.gz LAPXORCMQOAONE-LBPRGKRZSA-N 1 0 349.391 0.945 20 5 ECBDRO COc1cc(S(=O)(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)ccc1[N+](=O)[O-] ZINC000863450314 590015378 /nfs/dbraw/zinc/01/53/78/590015378.db2.gz JMBNOIWKCLZNOR-YABSGUDNSA-N 1 0 341.389 0.784 20 5 ECBDRO O=C1COC[C@]2(C[NH2+]Cc3ccc([N+](=O)[O-])cc3F)COCCN12 ZINC000865798786 590158297 /nfs/dbraw/zinc/15/82/97/590158297.db2.gz YPNGSECNQNCDBM-HNNXBMFYSA-N 1 0 339.323 0.451 20 5 ECBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC000873149417 590185361 /nfs/dbraw/zinc/18/53/61/590185361.db2.gz OPMVHQIGTLRNEF-KRWDZBQOSA-N 1 0 349.387 0.929 20 5 ECBDRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000876472945 590378640 /nfs/dbraw/zinc/37/86/40/590378640.db2.gz KVURGCXSAXGSKB-HNNXBMFYSA-N 1 0 338.364 0.409 20 5 ECBDRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000876472946 590378676 /nfs/dbraw/zinc/37/86/76/590378676.db2.gz KVURGCXSAXGSKB-OAHLLOKOSA-N 1 0 338.364 0.409 20 5 ECBDRO CO[C@@]1(C(F)(F)F)CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000880303895 590382555 /nfs/dbraw/zinc/38/25/55/590382555.db2.gz SHQLJMPCWIUWIK-QWRGUYRKSA-N 1 0 338.286 0.805 20 5 ECBDRO C[C@@H]1[C@@H](NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC[N@@H+]1C ZINC000925334152 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ECBDRO COC(=O)C(C(=O)OC)c1cc(-n2cc(C[NH3+])cn2)ccc1[N+](=O)[O-] ZINC001168261913 752014664 /nfs/dbraw/zinc/01/46/64/752014664.db2.gz RZGYKRIHGDAVCC-UHFFFAOYSA-N 1 0 348.315 0.669 20 5 ECBDRO Cc1noc(CCC[N@H+]2CC=C(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001000675934 745689568 /nfs/dbraw/zinc/68/95/68/745689568.db2.gz ZBNPRIGZTYJVPC-ZIAGYGMSSA-N 1 0 349.391 0.724 20 5 ECBDRO CN(CCN(C)c1ccc([N+](=O)[O-])cn1)C(=O)COCC[NH+](C)C ZINC001105430553 750043673 /nfs/dbraw/zinc/04/36/73/750043673.db2.gz OTTTXWQRSVSAEB-UHFFFAOYSA-N 1 0 339.396 0.463 20 5 ECBDRO COc1cccc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001126942636 756903640 /nfs/dbraw/zinc/90/36/40/756903640.db2.gz CSURVRDWPWQHGM-CHWSQXEVSA-N 1 0 336.348 0.005 20 5 ECBDRO O=C(NCC[NH2+]CCCOc1ccc(F)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126943958 756920197 /nfs/dbraw/zinc/92/01/97/756920197.db2.gz XGLBNZLZBIJKHF-ZIAGYGMSSA-N 1 0 325.340 0.966 20 5 ECBDRO Cc1cncc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)c1 ZINC001048814260 757080888 /nfs/dbraw/zinc/08/08/88/757080888.db2.gz BQAFJYPDOQGZKZ-QKPAOTATSA-N 1 0 330.388 0.945 20 5 ECBDRO COc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)sn1 ZINC000996429734 757658904 /nfs/dbraw/zinc/65/89/04/757658904.db2.gz VFKILIBRRGMJCB-VXGBXAGGSA-N 1 0 340.405 0.898 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)c2cncs2)C1 ZINC001021872434 758000987 /nfs/dbraw/zinc/00/09/87/758000987.db2.gz HFYFJLQDXWJGQR-DTORHVGOSA-N 1 0 336.377 0.835 20 5 ECBDRO Cn1cnc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001022043877 758201759 /nfs/dbraw/zinc/20/17/59/758201759.db2.gz OGDWXOIYCUGTRE-TXEJJXNPSA-N 1 0 330.348 0.774 20 5 ECBDRO O=C(Cn1nccn1)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001022141469 758328141 /nfs/dbraw/zinc/32/81/41/758328141.db2.gz XIRRRXOMTICEBX-BETUJISGSA-N 1 0 330.348 0.623 20 5 ECBDRO Cc1cnoc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001022923970 759315596 /nfs/dbraw/zinc/31/55/96/759315596.db2.gz NFIIWKUXTZWNDJ-AOOOYVTPSA-N 1 0 334.336 0.675 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1CCN(C(=O)CC(C)(C)O)CC1 ZINC000991888895 764364329 /nfs/dbraw/zinc/36/43/29/764364329.db2.gz IEJIECIFAXJWQE-UHFFFAOYSA-N 1 0 339.396 0.570 20 5 ECBDRO Cc1ccnc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001060415739 765046004 /nfs/dbraw/zinc/04/60/04/765046004.db2.gz QCEXQYMLLYAFDN-NHAGDIPZSA-N 1 0 345.403 0.945 20 5 ECBDRO O=C(NCC1C[NH+](CCOc2ccc(F)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031660806 766375372 /nfs/dbraw/zinc/37/53/72/766375372.db2.gz SIROIOVTKZPPQZ-HUUCEWRRSA-N 1 0 337.351 0.918 20 5 ECBDRO C/C=C(\C)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001055575364 769162289 /nfs/dbraw/zinc/16/22/89/769162289.db2.gz UKBCJVIZAIJKCZ-TYPLZORXSA-N 1 0 338.408 0.315 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)c2cccc(=O)[nH]2)C1 ZINC001020048298 772110055 /nfs/dbraw/zinc/11/00/55/772110055.db2.gz MZUCEODEYOHKNE-MGCOHNPYSA-N 1 0 346.347 0.480 20 5 ECBDRO Cn1oc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)cc1=O ZINC001020108213 772167148 /nfs/dbraw/zinc/16/71/48/772167148.db2.gz VGCOUWXGVVOXEF-HAQNSBGRSA-N 1 0 346.343 0.937 20 5 ECBDRO Cn1cnc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC001020127754 772193388 /nfs/dbraw/zinc/19/33/88/772193388.db2.gz YARSZUBZUFVTIR-HAQNSBGRSA-N 1 0 330.348 0.774 20 5 ECBDRO Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)nn1 ZINC001020138185 772204254 /nfs/dbraw/zinc/20/42/54/772204254.db2.gz XYRHSZSIDALJMB-XYPYZODXSA-N 1 0 345.363 0.477 20 5 ECBDRO CC(=O)NCCCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001079151929 780818205 /nfs/dbraw/zinc/81/82/05/780818205.db2.gz OJFUEHYCPOMLEM-ZIAGYGMSSA-N 1 0 326.397 0.102 20 5 ECBDRO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc2c(c1)OCCO2 ZINC001266273135 835595755 /nfs/dbraw/zinc/59/57/55/835595755.db2.gz LIROUNNXLFEUTF-CHWSQXEVSA-N 1 0 335.360 0.671 20 5 ECBDRO Cc1ccnn1CC(=O)N(C)CC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001266847874 836375355 /nfs/dbraw/zinc/37/53/55/836375355.db2.gz BSTJZFWBTXPJDT-UHFFFAOYSA-N 1 0 335.368 0.081 20 5 ECBDRO C[N@H+](CCNC(=O)CN1CCOCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001267191965 836952665 /nfs/dbraw/zinc/95/26/65/836952665.db2.gz BMOZBGMJOMRSGE-UHFFFAOYSA-N 1 0 336.392 0.475 20 5 ECBDRO O=C(Cn1cncn1)NCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001267337264 837222371 /nfs/dbraw/zinc/22/23/71/837222371.db2.gz NJOCRVBUIULSJE-UHFFFAOYSA-N 1 0 344.375 0.967 20 5 ECBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@]2([NH+](C)C)CCSC2)n1 ZINC000427634257 210210999 /nfs/dbraw/zinc/21/09/99/210210999.db2.gz RESUAGNRCYNUQG-CYBMUJFWSA-N 1 0 327.410 0.978 20 5 ECBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000183336522 529799364 /nfs/dbraw/zinc/79/93/64/529799364.db2.gz SRFOBRFXVKUCTM-TZMCWYRMSA-N 1 0 336.396 0.917 20 5 ECBDRO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)n1 ZINC000427383871 210195521 /nfs/dbraw/zinc/19/55/21/210195521.db2.gz LPEHCNWMZUMPPS-UHFFFAOYSA-N 1 0 348.363 0.787 20 5 ECBDRO C[NH+](C)CCOc1cc(CNC(=O)Cn2cc([N+](=O)[O-])cn2)ccn1 ZINC000179474834 233075385 /nfs/dbraw/zinc/07/53/85/233075385.db2.gz SJKYITQFMREGHF-UHFFFAOYSA-N 1 0 348.363 0.443 20 5 ECBDRO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000423627838 209784657 /nfs/dbraw/zinc/78/46/57/209784657.db2.gz JFBGWUNBTXDBPY-KBPBESRZSA-N 1 0 346.387 0.860 20 5 ECBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@H]3CC[N@H+](CC)C[C@@H]32)n1 ZINC000355376383 299245892 /nfs/dbraw/zinc/24/58/92/299245892.db2.gz XQFBIJIUTIZSNP-AAEUAGOBSA-N 1 0 337.380 0.746 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000420422898 209363980 /nfs/dbraw/zinc/36/39/80/209363980.db2.gz QIRVATOCQCPYPH-VIFPVBQESA-N 1 0 343.361 0.412 20 5 ECBDRO [NH3+]C[C@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000420411430 209362109 /nfs/dbraw/zinc/36/21/09/209362109.db2.gz ATWHUTNSBMAPMI-ZDUSSCGKSA-N 1 0 329.378 0.127 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000420309822 209350815 /nfs/dbraw/zinc/35/08/15/209350815.db2.gz FUBZXFHYADKTRP-STQMWFEESA-N 1 0 339.417 0.910 20 5 ECBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000420120834 209312807 /nfs/dbraw/zinc/31/28/07/209312807.db2.gz OVVLIQRYYDMVEC-XHDPSFHLSA-N 1 0 346.387 0.594 20 5 ECBDRO C[NH2+]C[C@H]1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000262572484 283601791 /nfs/dbraw/zinc/60/17/91/283601791.db2.gz GFKXDWLWVARXSJ-LLVKDONJSA-N 1 0 348.359 0.388 20 5 ECBDRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000419987163 209269705 /nfs/dbraw/zinc/26/97/05/209269705.db2.gz DCQKYAYFYXGZPB-LBPRGKRZSA-N 1 0 349.391 0.097 20 5 ECBDRO [NH3+]C1CCC(NC(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000419879898 209235609 /nfs/dbraw/zinc/23/56/09/209235609.db2.gz RYBLSMULCAEBHH-UHFFFAOYSA-N 1 0 346.387 0.866 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000193418699 240158624 /nfs/dbraw/zinc/15/86/24/240158624.db2.gz IMFHKQCIHUEBDS-GXSJLCMTSA-N 1 0 329.378 0.880 20 5 ECBDRO COc1c(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000356113637 299353266 /nfs/dbraw/zinc/35/32/66/299353266.db2.gz QRMGUVHEZVEMJX-GFCCVEGCSA-N 1 0 336.392 0.969 20 5 ECBDRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000419764674 209200002 /nfs/dbraw/zinc/20/00/02/209200002.db2.gz WIFBMKNLHMIPJN-CYBMUJFWSA-N 1 0 348.403 0.977 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cccc1[N+](=O)[O-] ZINC000419763010 209199698 /nfs/dbraw/zinc/19/96/98/209199698.db2.gz SYVWCAAFYYCFHK-OKILXGFUSA-N 1 0 346.387 0.872 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000419754140 209197233 /nfs/dbraw/zinc/19/72/33/209197233.db2.gz BMBPILVYTBOGBQ-AAEUAGOBSA-N 1 0 334.376 0.715 20 5 ECBDRO CS(=O)(=O)c1cc(C(=O)N[C@H](C[NH3+])C2CC2)cc([N+](=O)[O-])c1 ZINC000237424708 242633792 /nfs/dbraw/zinc/63/37/92/242633792.db2.gz BAOJJLRRUUAZBD-GFCCVEGCSA-N 1 0 327.362 0.465 20 5 ECBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000080091182 217278316 /nfs/dbraw/zinc/27/83/16/217278316.db2.gz HHAJMKCFPCJLFO-CQSZACIVSA-N 1 0 349.435 0.783 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000264245057 246235114 /nfs/dbraw/zinc/23/51/14/246235114.db2.gz GAOMFHJOXBATAH-NWDGAFQWSA-N 1 0 334.376 0.781 20 5 ECBDRO Cc1c(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000264906296 247030817 /nfs/dbraw/zinc/03/08/17/247030817.db2.gz YSIKRAILXCCFJG-LBPRGKRZSA-N 1 0 349.391 0.204 20 5 ECBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000265120841 247223179 /nfs/dbraw/zinc/22/31/79/247223179.db2.gz CJECJMDMVBHCBG-UHFFFAOYSA-N 1 0 344.375 0.967 20 5 ECBDRO COc1cc(OCC(=O)NC[C@H]2C[NH2+]CCCO2)ccc1[N+](=O)[O-] ZINC000449713221 211294026 /nfs/dbraw/zinc/29/40/26/211294026.db2.gz WOZDMQHNUZPBGO-GFCCVEGCSA-N 1 0 339.348 0.477 20 5 ECBDRO O=C(NCCc1ccccc1[N+](=O)[O-])c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000449291764 211279428 /nfs/dbraw/zinc/27/94/28/211279428.db2.gz AFAMITIIRKJGAK-CYBMUJFWSA-N 1 0 344.375 0.911 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H](CO)[C@H]2CCCO2)cc1 ZINC000447901101 211213564 /nfs/dbraw/zinc/21/35/64/211213564.db2.gz GCDHVZWQACOZRU-UONOGXRCSA-N 1 0 344.389 0.498 20 5 ECBDRO CCn1cc(S(=O)(=O)N[C@H](C[NH3+])C2CCCC2)c([N+](=O)[O-])n1 ZINC000447242139 211176328 /nfs/dbraw/zinc/17/63/28/211176328.db2.gz ANJOHXSMVJXRJQ-SNVBAGLBSA-N 1 0 331.398 0.607 20 5 ECBDRO Cc1nn(CCC(=O)NC[C@@](C)(O)C[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000153193711 224071751 /nfs/dbraw/zinc/07/17/51/224071751.db2.gz DBOGSGPCIACFBB-CQSZACIVSA-N 1 0 327.385 0.227 20 5 ECBDRO COc1cc(S(=O)(=O)N[C@H](CC[NH3+])C(F)F)ccc1[N+](=O)[O-] ZINC000420470266 209373737 /nfs/dbraw/zinc/37/37/37/209373737.db2.gz WPSAGCOJNWLPLO-MRVPVSSYSA-N 1 0 339.320 0.864 20 5 ECBDRO C[NH2+]C[C@@H](C)CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000429232416 210306059 /nfs/dbraw/zinc/30/60/59/210306059.db2.gz BEDHVINWPYEYOD-SNVBAGLBSA-N 1 0 336.348 0.292 20 5 ECBDRO C[C@@]1(CNC(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCC[NH2+]C1 ZINC000418921619 208909130 /nfs/dbraw/zinc/90/91/30/208909130.db2.gz JKBAYKQNFVUEGA-QGZVFWFLSA-N 1 0 348.403 0.759 20 5 ECBDRO Cc1ccc(NCCCNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000419456315 209099799 /nfs/dbraw/zinc/09/97/99/209099799.db2.gz SIEWQHAHCUZPBW-GFCCVEGCSA-N 1 0 349.391 0.381 20 5 ECBDRO Cc1ccc(NCCCNC(=O)C(=O)N2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000419452754 209099629 /nfs/dbraw/zinc/09/96/29/209099629.db2.gz HNKXLLDIRSNOHW-UHFFFAOYSA-N 1 0 349.391 0.253 20 5 ECBDRO C[C@H](NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000419149751 209001786 /nfs/dbraw/zinc/00/17/86/209001786.db2.gz LLTJULAGKVBDDC-SRVKXCTJSA-N 1 0 334.376 0.968 20 5 ECBDRO COC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000496309057 255089538 /nfs/dbraw/zinc/08/95/38/255089538.db2.gz PSBSHRSPTMEMBU-UHFFFAOYSA-N 1 0 346.365 0.789 20 5 ECBDRO [NH3+]C[C@@H](NC(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000419343833 209065012 /nfs/dbraw/zinc/06/50/12/209065012.db2.gz DNVTUGMNBOICSL-OAHLLOKOSA-N 1 0 348.403 0.887 20 5 ECBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000262505585 296512353 /nfs/dbraw/zinc/51/23/53/296512353.db2.gz MJUDFBJLRGIZRL-VHSXEESVSA-N 1 0 329.353 0.964 20 5 ECBDRO Cc1ccc(S(=O)(=O)N2CCO[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000116900889 292176419 /nfs/dbraw/zinc/17/64/19/292176419.db2.gz IFPVXWRTDGRPEV-LBPRGKRZSA-N 1 0 343.405 0.854 20 5 ECBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272345366 296766284 /nfs/dbraw/zinc/76/62/84/296766284.db2.gz XLONGHBBIAVVTL-DGCLKSJQSA-N 1 0 334.376 0.910 20 5 ECBDRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000165650372 164819076 /nfs/dbraw/zinc/81/90/76/164819076.db2.gz LSZDQVVQEOQQSO-SECBINFHSA-N 1 0 335.769 0.596 20 5 ECBDRO O=C(C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1)N1CCOCC1 ZINC000176195054 164888616 /nfs/dbraw/zinc/88/86/16/164888616.db2.gz FEZMFQOAQAKENT-UHFFFAOYSA-N 1 0 337.380 0.362 20 5 ECBDRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000178939173 164924169 /nfs/dbraw/zinc/92/41/69/164924169.db2.gz MDMBAUSGNGFRHX-SNVBAGLBSA-N 1 0 329.378 0.833 20 5 ECBDRO COc1cc(S(=O)(=O)NCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000191856464 165037364 /nfs/dbraw/zinc/03/73/64/165037364.db2.gz KXHDYURVWBHPQK-UHFFFAOYSA-N 1 0 329.378 0.978 20 5 ECBDRO CS(=O)(=O)c1ccc(NCCNC2=[NH+]CCCN2)c([N+](=O)[O-])c1 ZINC000261911995 165262173 /nfs/dbraw/zinc/26/21/73/165262173.db2.gz YIVSYDITDMACDC-UHFFFAOYSA-N 1 0 341.393 0.349 20 5 ECBDRO C[C@@]1(C[NH3+])CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000261959361 165269298 /nfs/dbraw/zinc/26/92/98/165269298.db2.gz KUQROSYTSFIGAH-INIZCTEOSA-N 1 0 334.376 0.912 20 5 ECBDRO COCC[NH2+]CCNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000262295866 165323548 /nfs/dbraw/zinc/32/35/48/165323548.db2.gz NTXSSTAFQXMNGF-UHFFFAOYSA-N 1 0 333.366 0.118 20 5 ECBDRO C[NH2+]C[C@@H]1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000262572485 165364373 /nfs/dbraw/zinc/36/43/73/165364373.db2.gz GFKXDWLWVARXSJ-NSHDSACASA-N 1 0 348.359 0.388 20 5 ECBDRO C[C@H](c1ccccc1)[N@@H+](CC(N)=O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000123865085 222344011 /nfs/dbraw/zinc/34/40/11/222344011.db2.gz NUUHCWUSEIBIMY-IUODEOHRSA-N 1 0 347.375 0.701 20 5 ECBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000331783502 296968548 /nfs/dbraw/zinc/96/85/48/296968548.db2.gz DYPATVXGPSJKPG-QWHCGFSZSA-N 1 0 341.389 0.573 20 5 ECBDRO COc1cc(OCC(=O)NC[C@](C)(O)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000269963964 263215291 /nfs/dbraw/zinc/21/52/91/263215291.db2.gz YISVZJGHBGCDNU-HNNXBMFYSA-N 1 0 341.364 0.411 20 5 ECBDRO CS[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C[C@H]1[NH+](C)C ZINC000270547060 263250560 /nfs/dbraw/zinc/25/05/60/263250560.db2.gz YXAUKDKOSRDUTL-MNOVXSKESA-N 1 0 327.410 0.604 20 5 ECBDRO CS[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C[C@@H]1[NH+](C)C ZINC000270547062 263250583 /nfs/dbraw/zinc/25/05/83/263250583.db2.gz YXAUKDKOSRDUTL-QWRGUYRKSA-N 1 0 327.410 0.604 20 5 ECBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270693084 263263189 /nfs/dbraw/zinc/26/31/89/263263189.db2.gz WOPMWXQKBOGYGZ-LLVKDONJSA-N 1 0 335.364 0.974 20 5 ECBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000272431526 263348410 /nfs/dbraw/zinc/34/84/10/263348410.db2.gz SDJXMOYKPUYPCG-LBPRGKRZSA-N 1 0 336.348 0.370 20 5 ECBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000272701988 263364317 /nfs/dbraw/zinc/36/43/17/263364317.db2.gz WKEUZLYAGOXYQY-LBPRGKRZSA-N 1 0 334.376 0.971 20 5 ECBDRO C[C@H]([NH2+]CCOCCS(C)(=O)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284944048 264260026 /nfs/dbraw/zinc/26/00/26/264260026.db2.gz DYLZAZHUYDQXEQ-JTQLQIEISA-N 1 0 331.394 0.889 20 5 ECBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)CNc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000285105574 264278995 /nfs/dbraw/zinc/27/89/95/264278995.db2.gz UKTUWUSOQWGHBI-CABCVRRESA-N 1 0 334.376 0.938 20 5 ECBDRO CS(=O)(=O)NCC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000285493510 264317586 /nfs/dbraw/zinc/31/75/86/264317586.db2.gz PMDNDDHBSSKXSR-UHFFFAOYSA-N 1 0 331.398 0.053 20 5 ECBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000285996093 264359078 /nfs/dbraw/zinc/35/90/78/264359078.db2.gz IKXZQCDCTSVTRF-AWEZNQCLSA-N 1 0 347.419 0.781 20 5 ECBDRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000286093474 264369698 /nfs/dbraw/zinc/36/96/98/264369698.db2.gz SXMPAEZYRGTOAN-UKRRQHHQSA-N 1 0 336.392 0.552 20 5 ECBDRO COCC[N@H+](CCO)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000298039346 265217848 /nfs/dbraw/zinc/21/78/48/265217848.db2.gz GNOOCIDNSZNWQB-UHFFFAOYSA-N 1 0 341.364 0.873 20 5 ECBDRO C[C@H](O)C[NH+]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000189376947 437596887 /nfs/dbraw/zinc/59/68/87/437596887.db2.gz NTMRUEUXXGSNSG-ZDUSSCGKSA-N 1 0 336.392 0.922 20 5 ECBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000262505571 280373138 /nfs/dbraw/zinc/37/31/38/280373138.db2.gz MJUDFBJLRGIZRL-NXEZZACHSA-N 1 0 329.353 0.964 20 5 ECBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](CCO)[C@@H]1CCCSC1 ZINC000433189793 280394668 /nfs/dbraw/zinc/39/46/68/280394668.db2.gz DQNPIMVBCWDUFQ-CYBMUJFWSA-N 1 0 327.406 0.946 20 5 ECBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3[nH]nc(C)c3[N+](=O)[O-])C2)CC1 ZINC000332103956 297002125 /nfs/dbraw/zinc/00/21/25/297002125.db2.gz DUFBUIIUPXKMHL-GFCCVEGCSA-N 1 0 336.396 0.478 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000261817945 295194954 /nfs/dbraw/zinc/19/49/54/295194954.db2.gz AMWSRNFFNSVLRW-MWLCHTKSSA-N 1 0 329.378 0.961 20 5 ECBDRO C[NH+]1CCC(NC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000339227238 297327386 /nfs/dbraw/zinc/32/73/86/297327386.db2.gz BXBPNRRIGKNWKC-UHFFFAOYSA-N 1 0 342.377 0.066 20 5 ECBDRO CN(C)S(=O)(=O)N1CCC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000342240650 297724682 /nfs/dbraw/zinc/72/46/82/297724682.db2.gz VLSMAMIABZBDQX-ZDUSSCGKSA-N 1 0 342.421 0.955 20 5 ECBDRO C[NH+](C)C1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000345332527 298145848 /nfs/dbraw/zinc/14/58/48/298145848.db2.gz WHZUHCOMPUJXEU-UHFFFAOYSA-N 1 0 334.332 0.093 20 5 ECBDRO C[C@@H](C[NH+](C)C)NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000346224429 298240384 /nfs/dbraw/zinc/24/03/84/298240384.db2.gz NUEKVAJRYFKQRQ-JTQLQIEISA-N 1 0 348.359 0.928 20 5 ECBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000349269007 298662706 /nfs/dbraw/zinc/66/27/06/298662706.db2.gz RXCDXLWGTGLBMK-AWEZNQCLSA-N 1 0 339.396 0.751 20 5 ECBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000353378046 299044041 /nfs/dbraw/zinc/04/40/41/299044041.db2.gz UHGYBLXKYOAHHA-WCQYABFASA-N 1 0 347.371 0.976 20 5 ECBDRO O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000354519495 299063267 /nfs/dbraw/zinc/06/32/67/299063267.db2.gz FRFGBNJXVHEGOF-QWHCGFSZSA-N 1 0 345.359 0.683 20 5 ECBDRO C[NH+]1CCN(CCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000362517279 300196083 /nfs/dbraw/zinc/19/60/83/300196083.db2.gz YGAGLNFBIFJFKJ-UHFFFAOYSA-N 1 0 342.346 0.779 20 5 ECBDRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000372732763 301024450 /nfs/dbraw/zinc/02/44/50/301024450.db2.gz RNBFGBFNNQSIMX-JTQLQIEISA-N 1 0 340.355 0.845 20 5 ECBDRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000373893277 301086687 /nfs/dbraw/zinc/08/66/87/301086687.db2.gz GEBMCFRSWXKTAG-GFCCVEGCSA-N 1 0 336.348 0.679 20 5 ECBDRO Cc1cc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)c(C)cc1[N+](=O)[O-] ZINC000416445294 301462699 /nfs/dbraw/zinc/46/26/99/301462699.db2.gz KUURSKAGKBIKRW-CQSZACIVSA-N 1 0 345.421 0.803 20 5 ECBDRO 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CC[N@H+](C)CCNS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000186698897 437482630 /nfs/dbraw/zinc/48/26/30/437482630.db2.gz RCPVDVZFUWKMNA-UHFFFAOYSA-N 1 0 335.357 0.973 20 5 ECBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000186755630 437483586 /nfs/dbraw/zinc/48/35/86/437483586.db2.gz IAAPZEVCPUWEGF-GFCCVEGCSA-N 1 0 337.380 0.659 20 5 ECBDRO CC[NH+](CC)CCN(CCOC)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290752898 437522500 /nfs/dbraw/zinc/52/25/00/437522500.db2.gz IXEHXCMYEFZJCK-UHFFFAOYSA-N 1 0 339.396 0.883 20 5 ECBDRO Cc1n[nH]c(C(=O)N2CCC([N@H+](C)CCCO)CC2)c1[N+](=O)[O-] ZINC000330496161 437530678 /nfs/dbraw/zinc/53/06/78/437530678.db2.gz WDZGBMRMHOHJHW-UHFFFAOYSA-N 1 0 325.369 0.545 20 5 ECBDRO C[N@H+](CCCO)C1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000340313534 437625195 /nfs/dbraw/zinc/62/51/95/437625195.db2.gz PKTQNCMYQAKCMR-UHFFFAOYSA-N 1 0 339.396 0.487 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCSC[C@@H]2CO)c1 ZINC000343716649 437637146 /nfs/dbraw/zinc/63/71/46/437637146.db2.gz BLLVNIMXJOFBOX-STQMWFEESA-N 1 0 328.390 0.744 20 5 ECBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000330940442 437653757 /nfs/dbraw/zinc/65/37/57/437653757.db2.gz CLUGQEVQZACQGV-RYUDHWBXSA-N 1 0 338.412 0.990 20 5 ECBDRO C[C@H]([NH3+])[C@H](C)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000192065831 437663709 /nfs/dbraw/zinc/66/37/09/437663709.db2.gz XRJKLBFVQMBJFH-RYUDHWBXSA-N 1 0 334.376 0.863 20 5 ECBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292278570 437675292 /nfs/dbraw/zinc/67/52/92/437675292.db2.gz QRUCVVNWDSFUHN-KRWDZBQOSA-N 1 0 346.387 0.879 20 5 ECBDRO COc1cccc(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000192568898 437683519 /nfs/dbraw/zinc/68/35/19/437683519.db2.gz GCPCDYORVRGBEC-GFCCVEGCSA-N 1 0 336.392 0.969 20 5 ECBDRO Nc1nc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000355725103 437727446 /nfs/dbraw/zinc/72/74/46/437727446.db2.gz 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C[C@H]1[C@@H]([NH3+])CCN1C(=O)CN1c2cc([N+](=O)[O-])ccc2OCC1=O ZINC000423676070 437799851 /nfs/dbraw/zinc/79/98/51/437799851.db2.gz PULHPKLLMGEAAK-ONGXEEELSA-N 1 0 334.332 0.268 20 5 ECBDRO COc1ccc(NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415872159 437876094 /nfs/dbraw/zinc/87/60/94/437876094.db2.gz RQIXZTZVSSTENP-LLVKDONJSA-N 1 0 336.348 0.800 20 5 ECBDRO CC(C)(CC[NH3+])NC(=O)CN1c2cc([N+](=O)[O-])ccc2OCC1=O ZINC000424047719 437882413 /nfs/dbraw/zinc/88/24/13/437882413.db2.gz OZJKEGJHQXAUCE-UHFFFAOYSA-N 1 0 336.348 0.564 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424241196 437912756 /nfs/dbraw/zinc/91/27/56/437912756.db2.gz PUIQRZZPRLSODP-UONOGXRCSA-N 1 0 345.359 0.904 20 5 ECBDRO COC(=O)CN(C)C(=O)CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347794170 437963378 /nfs/dbraw/zinc/96/33/78/437963378.db2.gz YVUFPDAOPJDOFL-UHFFFAOYSA-N 1 0 336.348 0.369 20 5 ECBDRO COc1cc(CCNC(=O)N[C@@H](C)C[NH3+])c([N+](=O)[O-])cc1OC ZINC000416903673 438001205 /nfs/dbraw/zinc/00/12/05/438001205.db2.gz NOJWAFSGXSFNSA-VIFPVBQESA-N 1 0 326.353 0.801 20 5 ECBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000427623636 438082263 /nfs/dbraw/zinc/08/22/63/438082263.db2.gz WXXSMXBBQYGLDJ-ADEWGFFLSA-N 1 0 338.412 0.941 20 5 ECBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000417932324 438090777 /nfs/dbraw/zinc/09/07/77/438090777.db2.gz CTCNUVPVMIKSOS-INIZCTEOSA-N 1 0 347.419 0.826 20 5 ECBDRO O=C1CO[C@H]2CC[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@H]2N1 ZINC000366811199 438130129 /nfs/dbraw/zinc/13/01/29/438130129.db2.gz RDZBEIONFOGPIX-CABCVRRESA-N 1 0 335.360 0.953 20 5 ECBDRO O=C1CO[C@@H]2CC[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@@H]2N1 ZINC000366811209 438130994 /nfs/dbraw/zinc/13/09/94/438130994.db2.gz RDZBEIONFOGPIX-LSDHHAIUSA-N 1 0 335.360 0.953 20 5 ECBDRO CC[NH2+]CCNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000418320368 438131683 /nfs/dbraw/zinc/13/16/83/438131683.db2.gz UNXQMNCFQNWCGJ-UHFFFAOYSA-N 1 0 349.391 0.672 20 5 ECBDRO O=C(N[C@H]1CC[NH2+]C1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418396768 438141266 /nfs/dbraw/zinc/14/12/66/438141266.db2.gz ZYBVVLBVCSDNKE-LBPRGKRZSA-N 1 0 347.375 0.424 20 5 ECBDRO C[C@@H](NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000418787666 438188525 /nfs/dbraw/zinc/18/85/25/438188525.db2.gz ULPZTTROGYNBBZ-RTXFEEFZSA-N 1 0 332.360 0.450 20 5 ECBDRO COc1c[nH+]ccc1N1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000358287294 438193315 /nfs/dbraw/zinc/19/33/15/438193315.db2.gz IABXPJKITHRPLY-UHFFFAOYSA-N 1 0 346.347 0.544 20 5 ECBDRO C[C@@H]1CCCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000418874104 438231072 /nfs/dbraw/zinc/23/10/72/438231072.db2.gz VCAMEUTYFZPNBF-IUODEOHRSA-N 1 0 348.403 0.839 20 5 ECBDRO CCn1cc(S(=O)(=O)N2C[C@H](C)N(C)C[C@@H]2C)c([N+](=O)[O-])n1 ZINC000350900271 438239879 /nfs/dbraw/zinc/23/98/79/438239879.db2.gz XFVFULBWZMPLJD-UWVGGRQHSA-N 1 0 331.398 0.524 20 5 ECBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000432522078 438200581 /nfs/dbraw/zinc/20/05/81/438200581.db2.gz BUXRUQBGSRORQP-FZMZJTMJSA-N 1 0 334.376 0.829 20 5 ECBDRO C[C@@H](C[NH3+])CNC(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000418824796 438202798 /nfs/dbraw/zinc/20/27/98/438202798.db2.gz ZYCJUQYNWGJOCA-VIFPVBQESA-N 1 0 342.783 0.618 20 5 ECBDRO C[N@@H+]1C[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H](c2ccccc2)C1 ZINC000351486279 438268303 /nfs/dbraw/zinc/26/83/03/438268303.db2.gz MSSZVDZHYNZIEB-CHWSQXEVSA-N 1 0 330.348 0.400 20 5 ECBDRO Cc1ccc([C@@H](C)NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000351555195 438288797 /nfs/dbraw/zinc/28/87/97/438288797.db2.gz FAOFVYKJBPICCR-DGCLKSJQSA-N 1 0 334.376 0.949 20 5 ECBDRO C[NH+](C)Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])CC2)nc1 ZINC000377673265 438321596 /nfs/dbraw/zinc/32/15/96/438321596.db2.gz XBRXBNXPJYOWAW-KGLIPLIRSA-N 1 0 333.392 0.457 20 5 ECBDRO C[C@H](NC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000419133272 438339810 /nfs/dbraw/zinc/33/98/10/438339810.db2.gz FTWPUHBQRANAGU-MDZLAQPJSA-N 1 0 334.376 0.968 20 5 ECBDRO [NH3+]C[C@H](NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000419043847 438303543 /nfs/dbraw/zinc/30/35/43/438303543.db2.gz SBLQFDXGHNDRAN-AWEZNQCLSA-N 1 0 348.403 0.887 20 5 ECBDRO C[C@@H]([NH3+])[C@H]1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000351864216 438352335 /nfs/dbraw/zinc/35/23/35/438352335.db2.gz WTJCOYFMNHOSGO-ZJUUUORDSA-N 1 0 336.348 0.931 20 5 ECBDRO O=C1NC(=O)[C@@H]2C[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC[C@H]12 ZINC000368635338 438356963 /nfs/dbraw/zinc/35/69/63/438356963.db2.gz FQHWOQIHNXEHES-QWHCGFSZSA-N 1 0 347.327 0.556 20 5 ECBDRO O=C(CC[N@@H+]1CCN2CCOC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000368816825 438382889 /nfs/dbraw/zinc/38/28/89/438382889.db2.gz LCEWARPIRQNSKC-ZDUSSCGKSA-N 1 0 334.376 0.940 20 5 ECBDRO CC(C)([NH3+])CNC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000420069074 438385788 /nfs/dbraw/zinc/38/57/88/438385788.db2.gz BBVAAGFHMARWFN-UHFFFAOYSA-N 1 0 349.391 0.097 20 5 ECBDRO [NH3+]C[C@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCCO1 ZINC000420398974 438404483 /nfs/dbraw/zinc/40/44/83/438404483.db2.gz ZMYWKYAHNJCZRJ-LSDHHAIUSA-N 1 0 334.376 0.750 20 5 ECBDRO C[C@H](CO)[N@@H+]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000368971246 438406044 /nfs/dbraw/zinc/40/60/44/438406044.db2.gz BAPXICPCKGDLRG-CYBMUJFWSA-N 1 0 336.392 0.922 20 5 ECBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420479681 438410363 /nfs/dbraw/zinc/41/03/63/438410363.db2.gz NJJRQVAXONUURS-GFCCVEGCSA-N 1 0 329.378 0.045 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCO[C@@]3(CCCOC3)C2)c1 ZINC000352361645 438413136 /nfs/dbraw/zinc/41/31/36/438413136.db2.gz LAOOVOIMYIBJNT-KGLIPLIRSA-N 1 0 326.353 0.034 20 5 ECBDRO C[N@H+](CCCCO)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421019442 438462871 /nfs/dbraw/zinc/46/28/71/438462871.db2.gz NFROANFGVIEQNC-UHFFFAOYSA-N 1 0 331.394 0.577 20 5 ECBDRO Cc1ccn(C2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000370028801 438542449 /nfs/dbraw/zinc/54/24/49/438542449.db2.gz FSLUQLWRVZDQJG-HNNXBMFYSA-N 1 0 334.380 0.994 20 5 ECBDRO O=C(Nc1cnccn1)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000370030534 438542726 /nfs/dbraw/zinc/54/27/26/438542726.db2.gz WTTREQUJIOVLLF-UHFFFAOYSA-N 1 0 345.363 0.932 20 5 ECBDRO [NH3+][C@@H]1CCC[C@H]1NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422936899 438618156 /nfs/dbraw/zinc/61/81/56/438618156.db2.gz NEWVWTMQGAZTNG-CHWSQXEVSA-N 1 0 328.394 0.343 20 5 ECBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCC[N@H+]1CCO ZINC000452789840 438672574 /nfs/dbraw/zinc/67/25/74/438672574.db2.gz BPPUGQHGSWMSGN-ZDUSSCGKSA-N 1 0 336.392 0.970 20 5 ECBDRO [NH3+]CCCCn1cc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)nn1 ZINC000574809596 438722126 /nfs/dbraw/zinc/72/21/26/438722126.db2.gz VUUYNPVKNWQAIK-UHFFFAOYSA-N 1 0 344.335 1.054 20 5 ECBDRO C[NH+](C)CCOC1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000548713097 438732342 /nfs/dbraw/zinc/73/23/42/438732342.db2.gz XHRDPWLJJBWLNR-UHFFFAOYSA-N 1 0 337.380 0.755 20 5 ECBDRO C[C@H](C(=O)N[C@@H](CO)CN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000575918113 438759830 /nfs/dbraw/zinc/75/98/30/438759830.db2.gz FCLCVWAOTXAFPC-GXTWGEPZSA-N 1 0 337.376 0.508 20 5 ECBDRO C[C@H](CN1CCOCC1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000554862660 438769926 /nfs/dbraw/zinc/76/99/26/438769926.db2.gz KAQSMWOMEAIBEC-UKRRQHHQSA-N 1 0 339.392 0.645 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1CCCN(Cc2ncon2)C1 ZINC000588843605 438843415 /nfs/dbraw/zinc/84/34/15/438843415.db2.gz WMKKTOVDBAOBBR-LLVKDONJSA-N 1 0 349.351 0.203 20 5 ECBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000595735561 438851383 /nfs/dbraw/zinc/85/13/83/438851383.db2.gz AZKSEXXZACVKHY-WCQYABFASA-N 1 0 332.360 0.794 20 5 ECBDRO CN(CC(C)(C)[NH3+])C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000595962871 438902454 /nfs/dbraw/zinc/90/24/54/438902454.db2.gz WIAILWSBJMAUMG-UHFFFAOYSA-N 1 0 344.393 0.069 20 5 ECBDRO CN(CC(C)(C)[NH3+])C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000595961936 438902602 /nfs/dbraw/zinc/90/26/02/438902602.db2.gz NIQNTKMMDBSTOO-SNVBAGLBSA-N 1 0 338.364 0.988 20 5 ECBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000578192443 438903125 /nfs/dbraw/zinc/90/31/25/438903125.db2.gz QKXOEGDDOOPUFX-ZDUSSCGKSA-N 1 0 326.378 0.754 20 5 ECBDRO COc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590279224 438906571 /nfs/dbraw/zinc/90/65/71/438906571.db2.gz ANJXTRRGJPZLPF-MFKMUULPSA-N 1 0 348.359 0.704 20 5 ECBDRO CC(C)NC(=O)[C@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595850812 438871420 /nfs/dbraw/zinc/87/14/20/438871420.db2.gz POUKIECFXJKBEJ-JSGCOSHPSA-N 1 0 339.396 0.389 20 5 ECBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000589514674 438876116 /nfs/dbraw/zinc/87/61/16/438876116.db2.gz DVYUOHPJJZOTKY-GFCCVEGCSA-N 1 0 337.376 0.880 20 5 ECBDRO C[S@](=O)C1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000564861757 438879660 /nfs/dbraw/zinc/87/96/60/438879660.db2.gz BNBBBPADULDRAN-NRFANRHFSA-N 1 0 346.430 0.869 20 5 ECBDRO O=[N+]([O-])c1cccc(-c2noc(CNC3(CO)CC[NH2+]CC3)n2)c1 ZINC000595901158 438880671 /nfs/dbraw/zinc/88/06/71/438880671.db2.gz BUNTVVTWCABQHN-UHFFFAOYSA-N 1 0 333.348 0.849 20 5 ECBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000515845743 438883279 /nfs/dbraw/zinc/88/32/79/438883279.db2.gz RFOHAWAWUSTESI-QWRGUYRKSA-N 1 0 334.376 0.722 20 5 ECBDRO CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595923636 438887311 /nfs/dbraw/zinc/88/73/11/438887311.db2.gz ARNVHACMQAZSEO-YPMHNXCESA-N 1 0 337.380 0.755 20 5 ECBDRO CC(C)c1n[nH]c(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000590338107 438912470 /nfs/dbraw/zinc/91/24/70/438912470.db2.gz VFYSZTBVYAAQRY-HNNXBMFYSA-N 1 0 339.396 0.970 20 5 ECBDRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000596051075 438918438 /nfs/dbraw/zinc/91/84/38/438918438.db2.gz LLHTZJGINVBWAY-ZETCQYMHSA-N 1 0 328.272 0.500 20 5 ECBDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000596070192 438920815 /nfs/dbraw/zinc/92/08/15/438920815.db2.gz NUMGINHGPTXPAU-WQVCFCJDSA-N 1 0 334.376 0.906 20 5 ECBDRO [NH3+][C@@H]1CCCN(C(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000516750733 438924456 /nfs/dbraw/zinc/92/44/56/438924456.db2.gz PBJACAHMOZIIBU-LLVKDONJSA-N 1 0 336.348 0.040 20 5 ECBDRO NS(=O)(=O)c1c(N[C@@H]2CC[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000596090891 438925046 /nfs/dbraw/zinc/92/50/46/438925046.db2.gz RQGBERCGSZINBV-SECBINFHSA-N 1 0 326.378 0.891 20 5 ECBDRO O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000601580249 438936533 /nfs/dbraw/zinc/93/65/33/438936533.db2.gz IVSUWXJCVYXWCC-WFASDCNBSA-N 1 0 344.371 0.659 20 5 ECBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000590586321 438937154 /nfs/dbraw/zinc/93/71/54/438937154.db2.gz LGWSZFDBXXPHOW-RYUDHWBXSA-N 1 0 329.378 0.199 20 5 ECBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000565374137 438947690 /nfs/dbraw/zinc/94/76/90/438947690.db2.gz SOMGFJLSLSTSJG-JTQLQIEISA-N 1 0 325.369 0.395 20 5 ECBDRO Cn1c2cc([N+](=O)[O-])c(N3C[C@H]4CC[N@H+](C)[C@H]4C3)cc2n(C)c1=O ZINC000590720092 438952082 /nfs/dbraw/zinc/95/20/82/438952082.db2.gz CHXMJEQGLWKKTD-BMIGLBTASA-N 1 0 331.376 0.926 20 5 ECBDRO C[N@H+](C[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000578803980 438956479 /nfs/dbraw/zinc/95/64/79/438956479.db2.gz FBZZTVJUIFGVTG-OAHLLOKOSA-N 1 0 335.408 0.567 20 5 ECBDRO NC(=O)c1cc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000596538419 438974417 /nfs/dbraw/zinc/97/44/17/438974417.db2.gz KOTUPBKZKFZNST-ZDUSSCGKSA-N 1 0 334.376 0.729 20 5 ECBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000579129457 438982608 /nfs/dbraw/zinc/98/26/08/438982608.db2.gz QTXAZTWNFCTSCT-NSHDSACASA-N 1 0 339.396 0.854 20 5 ECBDRO C[C@@]1(F)C[NH2+]CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000601981765 438995602 /nfs/dbraw/zinc/99/56/02/438995602.db2.gz XFSKYGIXTXEKHM-CQSZACIVSA-N 1 0 340.359 0.359 20 5 ECBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000591294736 438997132 /nfs/dbraw/zinc/99/71/32/438997132.db2.gz QJOOCZUSQQKHDP-UHFFFAOYSA-N 1 0 336.348 0.800 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000591328944 439003919 /nfs/dbraw/zinc/00/39/19/439003919.db2.gz JNFPZRJAMCYATO-JTQLQIEISA-N 1 0 329.378 0.833 20 5 ECBDRO O=C(NC[C@H]1CCCC[NH2+]1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000591358625 439007918 /nfs/dbraw/zinc/00/79/18/439007918.db2.gz NPPDNUCIUUDZFF-CYBMUJFWSA-N 1 0 348.407 0.964 20 5 ECBDRO C[C@@H]1CC2(CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O)CC[NH2+]CC2 ZINC000591651840 439049265 /nfs/dbraw/zinc/04/92/65/439049265.db2.gz YWSONWMOZAUFQF-GFCCVEGCSA-N 1 0 334.376 0.747 20 5 ECBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000580074815 439061544 /nfs/dbraw/zinc/06/15/44/439061544.db2.gz IVALCGZFTCRSBN-ZDUSSCGKSA-N 1 0 326.378 0.754 20 5 ECBDRO C[C@@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000602485778 439098277 /nfs/dbraw/zinc/09/82/77/439098277.db2.gz ZKVKOHCKOBIWBB-HIFRSBDPSA-N 1 0 336.440 0.786 20 5 ECBDRO CNc1nccc(C(=O)NC[C@]2([NH+](C)C)CCSC2)c1[N+](=O)[O-] ZINC000566982142 439103106 /nfs/dbraw/zinc/10/31/06/439103106.db2.gz CTXXWZKZMCDQHH-CQSZACIVSA-N 1 0 339.421 1.199 20 5 ECBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000591904892 439108012 /nfs/dbraw/zinc/10/80/12/439108012.db2.gz KEHXXXFMZWGBQM-LBPRGKRZSA-N 1 0 349.391 0.856 20 5 ECBDRO O=C(NC[C@@H]1COCC[NH2+]1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000602558616 439111146 /nfs/dbraw/zinc/11/11/46/439111146.db2.gz SWWUSMOWMPCURA-CYBMUJFWSA-N 1 0 334.376 0.913 20 5 ECBDRO Cc1cccc(C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)c1[N+](=O)[O-] ZINC000567109129 439114283 /nfs/dbraw/zinc/11/42/83/439114283.db2.gz VEVKJSPMOPHXGL-UHFFFAOYSA-N 1 0 331.336 0.683 20 5 ECBDRO COc1cccc2c1OC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000591733840 439078044 /nfs/dbraw/zinc/07/80/44/439078044.db2.gz RQVQXNWWCKVBLF-TZMCWYRMSA-N 1 0 348.359 0.754 20 5 ECBDRO CCC1([NH+](C)C)CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000602967607 439170629 /nfs/dbraw/zinc/17/06/29/439170629.db2.gz MKZDXIAQVPWPLR-CQSZACIVSA-N 1 0 325.413 0.958 20 5 ECBDRO C[N@@H+]1C[C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)[C@H](c2ccccc2)C1 ZINC000591987492 439126081 /nfs/dbraw/zinc/12/60/81/439126081.db2.gz YEZGMJHHEPOCCK-OLZOCXBDSA-N 1 0 328.376 1.146 20 5 ECBDRO CN1CCOC[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602727484 439127774 /nfs/dbraw/zinc/12/77/74/439127774.db2.gz VEEJUBOSXYKCHN-OAHLLOKOSA-N 1 0 335.408 0.879 20 5 ECBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC(C[NH+](C)C)C1 ZINC000597709368 439163348 /nfs/dbraw/zinc/16/33/48/439163348.db2.gz USDFNDHSRCTMCV-GFCCVEGCSA-N 1 0 338.412 0.847 20 5 ECBDRO CCc1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000592392860 439220489 /nfs/dbraw/zinc/22/04/89/439220489.db2.gz ACHIPSPWNZXBTQ-LBPRGKRZSA-N 1 0 342.421 0.339 20 5 ECBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)c1cccn1C1CC[NH2+]CC1 ZINC000592223091 439187068 /nfs/dbraw/zinc/18/70/68/439187068.db2.gz FIBRKMUITXLAAJ-UHFFFAOYSA-N 1 0 332.364 0.947 20 5 ECBDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000597943343 439200853 /nfs/dbraw/zinc/20/08/53/439200853.db2.gz YSSMJFGSAHAUFG-NSHDSACASA-N 1 0 326.401 0.330 20 5 ECBDRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000568043458 439208179 /nfs/dbraw/zinc/20/81/79/439208179.db2.gz JSCKUYCRALIOJB-UHFFFAOYSA-N 1 0 347.379 0.562 20 5 ECBDRO C[C@@H](CCNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[NH+](C)C ZINC000597992859 439208970 /nfs/dbraw/zinc/20/89/70/439208970.db2.gz OFSBDVYBBQKNJH-VIFPVBQESA-N 1 0 344.393 0.312 20 5 ECBDRO O=[N+]([O-])c1cccc(F)c1Cn1cc(CCN2CC[NH2+]CC2)nn1 ZINC000603201723 439209144 /nfs/dbraw/zinc/20/91/44/439209144.db2.gz HGEKMNUEUOAKQF-UHFFFAOYSA-N 1 0 334.355 0.821 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CC[NH2+][C@@H](C(C)C)C2)c([N+](=O)[O-])n1 ZINC000592379200 439214138 /nfs/dbraw/zinc/21/41/38/439214138.db2.gz JSDPXIGFIWTDJM-SNVBAGLBSA-N 1 0 331.398 0.430 20 5 ECBDRO Cc1n[nH]c(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000598539161 439276690 /nfs/dbraw/zinc/27/66/90/439276690.db2.gz GLMTUVKPIIRDFE-LLVKDONJSA-N 1 0 325.369 0.809 20 5 ECBDRO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NCC[NH2+]C1CC1 ZINC000592467935 439235133 /nfs/dbraw/zinc/23/51/33/439235133.db2.gz CVXZPLYSBHBIMB-UHFFFAOYSA-N 1 0 335.364 0.262 20 5 ECBDRO Cc1cc(C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)cc([N+](=O)[O-])c1 ZINC000568389117 439243748 /nfs/dbraw/zinc/24/37/48/439243748.db2.gz PVPWLJRDQOOSLK-UHFFFAOYSA-N 1 0 331.336 0.683 20 5 ECBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000568409512 439245113 /nfs/dbraw/zinc/24/51/13/439245113.db2.gz KGOYHNQREMLLAZ-KGYLQXTDSA-N 1 0 349.391 0.896 20 5 ECBDRO CN(C)C(=O)CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000581809626 439252864 /nfs/dbraw/zinc/25/28/64/439252864.db2.gz OJYWEZSOOVFOGV-UHFFFAOYSA-N 1 0 329.378 0.436 20 5 ECBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000592568528 439257692 /nfs/dbraw/zinc/25/76/92/439257692.db2.gz VWXUTRQGQDRCDD-BDAKNGLRSA-N 1 0 329.378 0.854 20 5 ECBDRO COCC[N@H+](C)C[C@@H](O)CN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000569235240 439315373 /nfs/dbraw/zinc/31/53/73/439315373.db2.gz RXBXPQVWVLZOJR-OAHLLOKOSA-N 1 0 339.392 0.728 20 5 ECBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000582349649 439323130 /nfs/dbraw/zinc/32/31/30/439323130.db2.gz ONDRZUBZYIBANI-HNNXBMFYSA-N 1 0 333.392 0.784 20 5 ECBDRO C[NH+]1CC2(C1)CCN(C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000598907297 439324963 /nfs/dbraw/zinc/32/49/63/439324963.db2.gz UVDVKOBUGSAPTK-UHFFFAOYSA-N 1 0 347.375 0.880 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)c1 ZINC000568884698 439287756 /nfs/dbraw/zinc/28/77/56/439287756.db2.gz QWFIAHZCMHPUAY-ZACQAIPSSA-N 1 0 346.387 0.908 20 5 ECBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000592881597 439296568 /nfs/dbraw/zinc/29/65/68/439296568.db2.gz UMYSQTFNOAEGLH-LBPRGKRZSA-N 1 0 334.376 0.716 20 5 ECBDRO C[NH2+]CCOCCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000599106667 439358988 /nfs/dbraw/zinc/35/89/88/439358988.db2.gz GKOVDLUBWKVSPC-UHFFFAOYSA-N 1 0 337.785 0.763 20 5 ECBDRO [NH3+]CC1(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000599104358 439359110 /nfs/dbraw/zinc/35/91/10/439359110.db2.gz TWDOAOOSDNTSOD-UHFFFAOYSA-N 1 0 343.405 0.565 20 5 ECBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CCOCC[NH3+] ZINC000599112226 439362164 /nfs/dbraw/zinc/36/21/64/439362164.db2.gz WNQDTPLMQUHDTD-UHFFFAOYSA-N 1 0 331.394 0.753 20 5 ECBDRO COC(=O)CCNC(=O)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000599009168 439343223 /nfs/dbraw/zinc/34/32/23/439343223.db2.gz SXQDLKHEBDSIHN-UHFFFAOYSA-N 1 0 327.312 0.893 20 5 ECBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC2(C[NH3+])CCOCC2)c1 ZINC000599104256 439358194 /nfs/dbraw/zinc/35/81/94/439358194.db2.gz RKBBTGSKOCMMCD-UHFFFAOYSA-N 1 0 343.405 0.998 20 5 ECBDRO COc1ccc(CC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000569842430 439368400 /nfs/dbraw/zinc/36/84/00/439368400.db2.gz PBHFPOGLOXIXRC-CQSZACIVSA-N 1 0 348.403 0.652 20 5 ECBDRO O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000582720597 439370762 /nfs/dbraw/zinc/37/07/62/439370762.db2.gz XZVDSLGDHDNCAM-CJNGLKHVSA-N 1 0 346.387 0.971 20 5 ECBDRO [NH3+][C@@H]1C[C@@H]2CN(c3ccc([N+](=O)[O-])c4cccnc43)CCN2C1=O ZINC000582857047 439391877 /nfs/dbraw/zinc/39/18/77/439391877.db2.gz HLDFLOUOFBPAAS-ZYHUDNBSSA-N 1 0 327.344 0.891 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)n1 ZINC000599242498 439398104 /nfs/dbraw/zinc/39/81/04/439398104.db2.gz WERLXZBNCXDQHR-LLVKDONJSA-N 1 0 343.409 0.435 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC000599260772 439405130 /nfs/dbraw/zinc/40/51/30/439405130.db2.gz FFLUZIRKAOFPTJ-MNOVXSKESA-N 1 0 343.409 0.433 20 5 ECBDRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593560664 439405925 /nfs/dbraw/zinc/40/59/25/439405925.db2.gz UYBRVDKTUOIINK-LBPRGKRZSA-N 1 0 346.409 0.625 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)n1 ZINC000599220635 439387752 /nfs/dbraw/zinc/38/77/52/439387752.db2.gz FTNLKGTUOLUGLE-LLVKDONJSA-N 1 0 343.409 0.577 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)n1 ZINC000599229113 439389249 /nfs/dbraw/zinc/38/92/49/439389249.db2.gz REZSZFLXYRCEHN-NSHDSACASA-N 1 0 343.409 0.577 20 5 ECBDRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000593597459 439417916 /nfs/dbraw/zinc/41/79/16/439417916.db2.gz IXNWUTZHEHQHEU-ZDUSSCGKSA-N 1 0 326.378 0.706 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H](CO)[C@H]2CCOC2)c1 ZINC000570842959 439456096 /nfs/dbraw/zinc/45/60/96/439456096.db2.gz JRZHULHWLUEMGQ-GZBFAFLISA-N 1 0 340.376 0.569 20 5 ECBDRO C[C@@H]1CN(CCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000583603190 439487456 /nfs/dbraw/zinc/48/74/56/439487456.db2.gz KHLDJMUSZHPRIF-UMVBOHGHSA-N 1 0 341.412 0.241 20 5 ECBDRO C[NH+](C)CC[C@@H](N)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000593905991 439492391 /nfs/dbraw/zinc/49/23/91/439492391.db2.gz QVPGUXJKEXVHAU-WCQYABFASA-N 1 0 336.396 0.282 20 5 ECBDRO COC(=O)[C@@]1(OC)CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000599562608 439506707 /nfs/dbraw/zinc/50/67/07/439506707.db2.gz GRQXACIRGKEKPY-CQSZACIVSA-N 1 0 325.321 0.020 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000594023513 439508998 /nfs/dbraw/zinc/50/89/98/439508998.db2.gz MMGNKDCOEUOSAJ-ZNMIVQPWSA-N 1 0 337.376 0.085 20 5 ECBDRO Nc1nccc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000594216881 439527397 /nfs/dbraw/zinc/52/73/97/439527397.db2.gz XBEGKYQWWAMYAD-UHFFFAOYSA-N 1 0 328.332 0.929 20 5 ECBDRO C[N@@H+]1CCCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000609050249 439550758 /nfs/dbraw/zinc/55/07/58/439550758.db2.gz YQLGBCWXHFSBRT-UHFFFAOYSA-N 1 0 348.359 0.484 20 5 ECBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000609171025 439553674 /nfs/dbraw/zinc/55/36/74/439553674.db2.gz IMTMYLPLIQZGGY-NSHDSACASA-N 1 0 337.380 0.251 20 5 ECBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000594392388 439554186 /nfs/dbraw/zinc/55/41/86/439554186.db2.gz GGVHVZILDHAOJX-UONOGXRCSA-N 1 0 349.387 0.950 20 5 ECBDRO Cc1c(NC(=O)C(=O)NCC2([NH3+])CCOCC2)cccc1[N+](=O)[O-] ZINC000599888862 439570829 /nfs/dbraw/zinc/57/08/29/439570829.db2.gz ZHCFYWKUNOPFIF-UHFFFAOYSA-N 1 0 336.348 0.466 20 5 ECBDRO COc1cccc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599937084 439579027 /nfs/dbraw/zinc/57/90/27/439579027.db2.gz CWJKBBUKFMPAQQ-VXGBXAGGSA-N 1 0 335.360 0.885 20 5 ECBDRO C[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594577657 439580310 /nfs/dbraw/zinc/58/03/10/439580310.db2.gz XXYKDMZDFCBJPS-GUIRCDHDSA-N 1 0 341.412 0.240 20 5 ECBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000599966560 439587282 /nfs/dbraw/zinc/58/72/82/439587282.db2.gz QGJRYCJRAHNKHR-SMDDNHRTSA-N 1 0 346.387 0.952 20 5 ECBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594736731 439599882 /nfs/dbraw/zinc/59/98/82/439599882.db2.gz QWAQQDNGCPNKRR-UONOGXRCSA-N 1 0 334.376 0.737 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@]1(O)CCS(=O)(=O)C1 ZINC000595041720 439650415 /nfs/dbraw/zinc/65/04/15/439650415.db2.gz OWXPFDRPTNPPQU-QMTHXVAHSA-N 1 0 344.389 0.804 20 5 ECBDRO Cc1cc(S(=O)(=O)NC[C@@H]2C[NH2+]CCCO2)c(C)cc1[N+](=O)[O-] ZINC000595109520 439653998 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CNC(=O)N[C@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000342365825 321086967 /nfs/dbraw/zinc/08/69/67/321086967.db2.gz VTSYZLFPRXXSTI-WCQYABFASA-N 1 0 338.364 0.338 20 5 ECBDRO C[C@@H](c1ccccc1)[N@@H+](CC(N)=O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000342605267 321095535 /nfs/dbraw/zinc/09/55/35/321095535.db2.gz NUUHCWUSEIBIMY-SWLSCSKDSA-N 1 0 347.375 0.701 20 5 ECBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H](C)C1 ZINC000346164745 321217261 /nfs/dbraw/zinc/21/72/61/321217261.db2.gz QAWIUHAFRMWNSM-YDHLFZDLSA-N 1 0 348.403 0.945 20 5 ECBDRO C[C@@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)[NH+](C)C ZINC000347245794 321235190 /nfs/dbraw/zinc/23/51/90/321235190.db2.gz IJZSYGSLUBSYFA-WDEREUQCSA-N 1 0 338.364 0.859 20 5 ECBDRO C[C@H](CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000353820137 321419014 /nfs/dbraw/zinc/41/90/14/321419014.db2.gz XUKNWQWGJPDKDU-LLVKDONJSA-N 1 0 337.380 0.460 20 5 ECBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000560506442 322245852 /nfs/dbraw/zinc/24/58/52/322245852.db2.gz XZLZKMGQIYENAS-MRXNPFEDSA-N 1 0 335.360 0.547 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000562758631 322283498 /nfs/dbraw/zinc/28/34/98/322283498.db2.gz IMPQVAMIGPRORN-UHFFFAOYSA-N 1 0 337.336 0.157 20 5 ECBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1nnc2n1CCCCC2 ZINC000564078595 322360470 /nfs/dbraw/zinc/36/04/70/322360470.db2.gz UBFKQLOGOSRPQK-YPMHNXCESA-N 1 0 349.395 0.821 20 5 ECBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1nnc2n1CCCCC2 ZINC000564078594 322360787 /nfs/dbraw/zinc/36/07/87/322360787.db2.gz UBFKQLOGOSRPQK-WCQYABFASA-N 1 0 349.395 0.821 20 5 ECBDRO CC(C)c1ccc(C(=O)NCC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000564835978 322397493 /nfs/dbraw/zinc/39/74/93/322397493.db2.gz UWXLJKDILTTXQU-UHFFFAOYSA-N 1 0 334.376 0.880 20 5 ECBDRO O=C1C[C@@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000566132212 322504232 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CCOC(=O)C1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174647016 528642135 /nfs/dbraw/zinc/64/21/35/528642135.db2.gz LHLPQDUIXLKGJL-ZDUSSCGKSA-N 1 0 326.353 0.427 20 5 ECBDRO CC(C)[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000236724727 535048044 /nfs/dbraw/zinc/04/80/44/535048044.db2.gz JOPDPKUNRHVVRC-AWEZNQCLSA-N 1 0 334.376 0.863 20 5 ECBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000619871320 546376714 /nfs/dbraw/zinc/37/67/14/546376714.db2.gz BWKGOILSCXZDHN-CYBMUJFWSA-N 1 0 337.380 0.505 20 5 ECBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@H]1C ZINC000736145456 578410920 /nfs/dbraw/zinc/41/09/20/578410920.db2.gz CAVPGHBIGUOLSE-GHMZBOCLSA-N 1 0 347.379 0.666 20 5 ECBDRO COCC[NH+](CCOC)C1CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000795713173 578619259 /nfs/dbraw/zinc/61/92/59/578619259.db2.gz DZYFADSEAWMDTK-UHFFFAOYSA-N 1 0 341.412 0.808 20 5 ECBDRO C[C@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788827194 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1 0 338.383 0.982 20 5 ECBDRO COc1c(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000896540600 586250587 /nfs/dbraw/zinc/25/05/87/586250587.db2.gz FWXIABOHTCRXGN-BXUZGUMPSA-N 1 0 336.392 0.968 20 5 ECBDRO COC(=O)Cc1ccc(N2CC[C@](O)(C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000895010302 586424478 /nfs/dbraw/zinc/42/44/78/586424478.db2.gz OLNGHSKEMGALGW-INIZCTEOSA-N 1 0 337.376 0.813 20 5 ECBDRO O=C(CO[C@@H]1CCC[NH2+]C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000843378754 589064993 /nfs/dbraw/zinc/06/49/93/589064993.db2.gz OLCVGJAOOLMVGK-CQSZACIVSA-N 1 0 349.391 0.407 20 5 ECBDRO COC[C@H]1C[NH2+]CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000903882806 586823037 /nfs/dbraw/zinc/82/30/37/586823037.db2.gz PXNRLIFZCWCQLN-KGLIPLIRSA-N 1 0 325.365 0.255 20 5 ECBDRO O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000840452506 587581598 /nfs/dbraw/zinc/58/15/98/587581598.db2.gz ICBGXZUCEMFARK-ZFWWWQNUSA-N 1 0 337.376 0.591 20 5 ECBDRO C[N@@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)C[C@H]21 ZINC000821629067 587609616 /nfs/dbraw/zinc/60/96/16/587609616.db2.gz XVDWLLWSUVPUHB-CHWSQXEVSA-N 1 0 331.336 0.294 20 5 ECBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825709176 587957057 /nfs/dbraw/zinc/95/70/57/587957057.db2.gz QOYGJRIQIAJXKP-CABCVRRESA-N 1 0 337.376 0.855 20 5 ECBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@]1(O)CCc2ccccc21 ZINC000829338715 588322286 /nfs/dbraw/zinc/32/22/86/588322286.db2.gz YRXQUMVJFHOIRO-RDJZCZTQSA-N 1 0 346.387 0.918 20 5 ECBDRO C[NH+](C)CCN1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000844376273 589109766 /nfs/dbraw/zinc/10/97/66/589109766.db2.gz REOIDTJESGEKAJ-OAHLLOKOSA-N 1 0 336.392 0.334 20 5 ECBDRO O=C(N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846667958 589217716 /nfs/dbraw/zinc/21/77/16/589217716.db2.gz PXDMSGRHPPPBJZ-GUYCJALGSA-N 1 0 346.387 0.479 20 5 ECBDRO COC(=O)N(C)CC[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 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333.392 0.884 20 5 ECBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889781085 591094544 /nfs/dbraw/zinc/09/45/44/591094544.db2.gz LICYIRWSMJDOKN-GJZGRUSLSA-N 1 0 334.376 0.969 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000889833433 591104579 /nfs/dbraw/zinc/10/45/79/591104579.db2.gz FNUPBGQKOIEXII-UHFFFAOYSA-N 1 0 334.376 0.890 20 5 ECBDRO Cc1nnc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC[C@@H]3C2)o1 ZINC000946589134 611356608 /nfs/dbraw/zinc/35/66/08/611356608.db2.gz IBRPTDHNCYKDRC-XJFOESAGSA-N 1 0 349.391 0.714 20 5 ECBDRO Cc1ncc([N+](=O)[O-])n1CCOC(=O)COC1CC[NH+](C)CC1 ZINC000923786603 608948764 /nfs/dbraw/zinc/94/87/64/608948764.db2.gz WJVDBPHORNIBDL-UHFFFAOYSA-N 1 0 326.353 0.754 20 5 ECBDRO C[C@]1(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H](O)C[NH2+]1 ZINC000911972899 609924962 /nfs/dbraw/zinc/92/49/62/609924962.db2.gz BGPSJWSHYGRBDC-GDBMZVCRSA-N 1 0 334.376 0.356 20 5 ECBDRO CN1CC[NH2+]C[C@@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000912000142 609926790 /nfs/dbraw/zinc/92/67/90/609926790.db2.gz AXANHOLUPJSLHF-OAHLLOKOSA-N 1 0 333.392 0.147 20 5 ECBDRO CC(C)N(C)Cc1nn(-c2cc([N+](=O)[O-])cc[n+]2[O-])c2c1CC[NH2+]C2 ZINC001164681819 719603019 /nfs/dbraw/zinc/60/30/19/719603019.db2.gz APWBSVXBAXGJLU-UHFFFAOYSA-N 1 0 346.391 0.900 20 5 ECBDRO COc1ncnc(N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c1[N+](=O)[O-] ZINC001164922651 721863348 /nfs/dbraw/zinc/86/33/48/721863348.db2.gz HMUONQMNTSDJSH-RYUDHWBXSA-N 1 0 336.396 0.608 20 5 ECBDRO O=[N+]([O-])c1cnc(N2CCO[C@@H](C(F)(F)F)C2)nc1C1C[NH2+]C1 ZINC001167085568 732349265 /nfs/dbraw/zinc/34/92/65/732349265.db2.gz RDKFNAXHMWWBRW-SECBINFHSA-N 1 0 333.270 0.839 20 5 ECBDRO CC[N@H+](CCO)CCNS(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001211620388 737206388 /nfs/dbraw/zinc/20/63/88/737206388.db2.gz XVYMPYNTTYAUBW-UHFFFAOYSA-N 1 0 337.423 0.557 20 5 ECBDRO CCC[N@H+](C)CC(=O)N(CCO)CCNc1ncccc1[N+](=O)[O-] ZINC001111492820 738184768 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WRKIVVITXRFGFJ-OJAKKHQRSA-N 1 0 335.364 0.135 20 5 ECBDRO O=C(NCC1CC[NH+](CC2CCOCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001399011 746340182 /nfs/dbraw/zinc/34/01/82/746340182.db2.gz HLCBCVUOYPPNHO-HUUCEWRRSA-N 1 0 325.409 0.906 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C[C@H]1C[C@H](NC(=O)c2cnon2)C1 ZINC000984943076 747150614 /nfs/dbraw/zinc/15/06/14/747150614.db2.gz LTEXMIQMDSVPHS-KYZUINATSA-N 1 0 335.324 0.010 20 5 ECBDRO Cc1noc(CN(C)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001029964784 750117745 /nfs/dbraw/zinc/11/77/45/750117745.db2.gz ZLUYRAIUFRJNNF-CHWSQXEVSA-N 1 0 337.380 0.714 20 5 ECBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC(=O)NC(=O)C1 ZINC001168310429 754300553 /nfs/dbraw/zinc/30/05/53/754300553.db2.gz MADDPTTXBAJQQE-UHFFFAOYSA-N 1 0 348.359 0.244 20 5 ECBDRO O=C(NCC[NH2+]Cc1cnc(Br)s1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936212 756744341 /nfs/dbraw/zinc/74/43/41/756744341.db2.gz ATRIQIXBLRKVIU-HTQZYQBOSA-N 1 0 349.210 0.777 20 5 ECBDRO O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NCC1CCCCC1 ZINC001126942646 756903292 /nfs/dbraw/zinc/90/32/92/756903292.db2.gz DCXDZXLXQXSVOW-CHWSQXEVSA-N 1 0 326.397 0.054 20 5 ECBDRO CN(C)c1cc[nH+]cc1C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001011112901 756946171 /nfs/dbraw/zinc/94/61/71/756946171.db2.gz WEUNWRXJPQIVDT-BXUZGUMPSA-N 1 0 347.375 0.097 20 5 ECBDRO CC(C)c1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)[nH]1 ZINC000996429178 757656139 /nfs/dbraw/zinc/65/61/39/757656139.db2.gz KYUYGVJFECJTFM-VXGBXAGGSA-N 1 0 336.396 0.674 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)C2CCOCC2)C1 ZINC001021764318 757908884 /nfs/dbraw/zinc/90/88/84/757908884.db2.gz DQCXKGWPGBRWAJ-TXEJJXNPSA-N 1 0 337.380 0.492 20 5 ECBDRO O=C(Cn1cnnn1)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001021814906 757943191 /nfs/dbraw/zinc/94/31/91/757943191.db2.gz BUKQDMPUUUKCCO-TXEJJXNPSA-N 1 0 331.336 0.018 20 5 ECBDRO O=C(Cn1cnnn1)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001021816643 757945986 /nfs/dbraw/zinc/94/59/86/757945986.db2.gz PHFRYKOAVANQOI-TXEJJXNPSA-N 1 0 331.336 0.018 20 5 ECBDRO CCOc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC001022063709 758226509 /nfs/dbraw/zinc/22/65/09/758226509.db2.gz IKTIYYBAKFOADG-XJFOESAGSA-N 1 0 334.376 0.882 20 5 ECBDRO CNC(=O)c1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC001022063401 758226637 /nfs/dbraw/zinc/22/66/37/758226637.db2.gz ASULRBCZBYGTIQ-LXTVHRRPSA-N 1 0 346.387 0.448 20 5 ECBDRO COCCn1cc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC001127027200 759580869 /nfs/dbraw/zinc/58/08/69/759580869.db2.gz LOSKYYASRQFSKG-UHFFFAOYSA-N 1 0 348.363 0.352 20 5 ECBDRO Cn1cnnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001050325977 760130689 /nfs/dbraw/zinc/13/06/89/760130689.db2.gz PTHBMHMMRXEIMK-FDYHWXHSSA-N 1 0 336.396 0.245 20 5 ECBDRO Cc1noc(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001050326110 760131409 /nfs/dbraw/zinc/13/14/09/760131409.db2.gz RGGNMLWBTCQRRB-FDYHWXHSSA-N 1 0 337.380 0.808 20 5 ECBDRO NC(=O)C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001050360328 760180188 /nfs/dbraw/zinc/18/01/88/760180188.db2.gz JGEOGUWBXBGYHI-AULYBMBSSA-N 1 0 334.376 0.845 20 5 ECBDRO Cc1cccn(CC(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1=O ZINC001127181823 763541208 /nfs/dbraw/zinc/54/12/08/763541208.db2.gz SZHHJXZMLAFZHK-UHFFFAOYSA-N 1 0 344.371 0.971 20 5 ECBDRO COc1ccc(CC[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001031660611 766379161 /nfs/dbraw/zinc/37/91/61/766379161.db2.gz MGOCFSTVEZKHPR-HZPDHXFCSA-N 1 0 333.388 0.951 20 5 ECBDRO CCc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)[nH]n1 ZINC001019996089 772059081 /nfs/dbraw/zinc/05/90/81/772059081.db2.gz XHNAKAPLXFVYIP-XYPYZODXSA-N 1 0 347.379 0.664 20 5 ECBDRO Cc1nnccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001020352945 772483489 /nfs/dbraw/zinc/48/34/89/772483489.db2.gz HXRDRWHGKGEOHI-XYPYZODXSA-N 1 0 345.363 0.477 20 5 ECBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](Cc1ccc(CO)cc1)C2 ZINC001072725062 788651977 /nfs/dbraw/zinc/65/19/77/788651977.db2.gz HTAYUJUPAOYNMK-HZPDHXFCSA-N 1 0 345.399 0.878 20 5 ECBDRO CC[NH+](CC)CC(=O)N1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001073045775 789340015 /nfs/dbraw/zinc/34/00/15/789340015.db2.gz XFUCMJWNFXARCL-CHWSQXEVSA-N 1 0 340.424 0.491 20 5 ECBDRO CCNC(=O)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001266678620 836131632 /nfs/dbraw/zinc/13/16/32/836131632.db2.gz JIJAIRWUISJIGQ-BETUJISGSA-N 1 0 334.376 0.858 20 5 ECBDRO CNC(=O)[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181867497 529901123 /nfs/dbraw/zinc/90/11/23/529901123.db2.gz PLYWAYMVIWOINA-OLZOCXBDSA-N 1 0 337.376 0.793 20 5 ECBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000152698549 530055875 /nfs/dbraw/zinc/05/58/75/530055875.db2.gz OHJYGFPAWNUNOX-OAHLLOKOSA-N 1 0 346.387 0.973 20 5 ECBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000355336081 299240494 /nfs/dbraw/zinc/24/04/94/299240494.db2.gz KDVHNAIJGDKEPH-AWEZNQCLSA-N 1 0 339.396 0.751 20 5 ECBDRO Cc1cc(C)c(S(=O)(=O)NC[C@@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000420455090 209369838 /nfs/dbraw/zinc/36/98/38/209369838.db2.gz MEKZGUHCNDXWRY-LBPRGKRZSA-N 1 0 343.405 0.868 20 5 ECBDRO C[C@H]1[C@@H]([NH3+])CCN1S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000420414987 291281589 /nfs/dbraw/zinc/28/15/89/291281589.db2.gz AGTQJOQVSJKGRR-IUCAKERBSA-N 1 0 343.361 0.476 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC000419762087 209200238 /nfs/dbraw/zinc/20/02/38/209200238.db2.gz RJERHPDQXYQRMQ-ZYHUDNBSSA-N 1 0 334.376 0.715 20 5 ECBDRO O=C(NC[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1)[C@@H]1CCC[NH2+]1 ZINC000262145830 283973075 /nfs/dbraw/zinc/97/30/75/283973075.db2.gz FKOINGVUNLGIPB-RYUDHWBXSA-N 1 0 349.391 0.643 20 5 ECBDRO CN(CC(=O)NCCCN1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000237057331 242462299 /nfs/dbraw/zinc/46/22/99/242462299.db2.gz RBIOZTWNKJMKKE-UHFFFAOYSA-N 1 0 335.408 0.443 20 5 ECBDRO CS(=O)(=O)c1cc(C(=O)N[C@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000237424957 242633601 /nfs/dbraw/zinc/63/36/01/242633601.db2.gz ZIGHEIXWFHLMJQ-JTQLQIEISA-N 1 0 327.362 0.480 20 5 ECBDRO Nc1c(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000262469211 244992819 /nfs/dbraw/zinc/99/28/19/244992819.db2.gz YEGGFGASRIBIQH-NSHDSACASA-N 1 0 337.355 0.436 20 5 ECBDRO NC(=O)c1ccc(SCC(=O)NC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000262517530 245012356 /nfs/dbraw/zinc/01/23/56/245012356.db2.gz UDPAOSPRCMIBIJ-UHFFFAOYSA-N 1 0 338.389 0.654 20 5 ECBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000262581091 245042184 /nfs/dbraw/zinc/04/21/84/245042184.db2.gz LWBWHNIMCMQIIU-LLVKDONJSA-N 1 0 330.348 0.905 20 5 ECBDRO C[C@@](CO)([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccc(O)c1 ZINC000451035463 211357818 /nfs/dbraw/zinc/35/78/18/211357818.db2.gz BULSKVZDWLAMMH-INIZCTEOSA-N 1 0 333.344 0.959 20 5 ECBDRO Cc1nc(Sc2nnnn2C[C@H]2CC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC000450396703 211323200 /nfs/dbraw/zinc/32/32/00/211323200.db2.gz UDQRQIYIMHDAEV-VIFPVBQESA-N 1 0 336.381 0.783 20 5 ECBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000449703229 211292927 /nfs/dbraw/zinc/29/29/27/211292927.db2.gz TWANILGYHJMDIG-OAHLLOKOSA-N 1 0 335.408 0.807 20 5 ECBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000449591476 211285807 /nfs/dbraw/zinc/28/58/07/211285807.db2.gz QPNCMTGTGCSHSY-NXEZZACHSA-N 1 0 344.393 0.067 20 5 ECBDRO CC(C)(C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000357246602 299546641 /nfs/dbraw/zinc/54/66/41/299546641.db2.gz YIBAJNGIZGJCLT-LBPRGKRZSA-N 1 0 336.396 0.033 20 5 ECBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000261904785 207789824 /nfs/dbraw/zinc/78/98/24/207789824.db2.gz XCDLNIIIECHWFQ-AAEUAGOBSA-N 1 0 349.391 0.590 20 5 ECBDRO CN(C)C(=O)[C@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000411950535 208177812 /nfs/dbraw/zinc/17/78/12/208177812.db2.gz WRJLERQURDSRFL-JSGCOSHPSA-N 1 0 337.376 0.745 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000420418498 209364125 /nfs/dbraw/zinc/36/41/25/209364125.db2.gz IFCSUFKTWZCWBV-QMMMGPOBSA-N 1 0 331.350 0.255 20 5 ECBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)C[C@@H]12 ZINC000415585850 208552405 /nfs/dbraw/zinc/55/24/05/208552405.db2.gz MJOSPHASAZZASP-ZEGGKSINSA-N 1 0 336.323 0.868 20 5 ECBDRO O=C(COC1C[NH2+]C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000429987149 210344991 /nfs/dbraw/zinc/34/49/91/210344991.db2.gz UXHZRHYLAABXEO-UHFFFAOYSA-N 1 0 335.360 0.953 20 5 ECBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428615446 210274734 /nfs/dbraw/zinc/27/47/34/210274734.db2.gz GGMIMVNVKNNHLW-NSHDSACASA-N 1 0 336.348 0.472 20 5 ECBDRO [NH3+]C[C@@H]1CCCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000428537444 210268339 /nfs/dbraw/zinc/26/83/39/210268339.db2.gz NOMNHEYSKFKPCH-ZDUSSCGKSA-N 1 0 349.391 0.591 20 5 ECBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000418918547 208907164 /nfs/dbraw/zinc/90/71/64/208907164.db2.gz CZTRQMZVIRUWGV-JSGCOSHPSA-N 1 0 348.403 0.839 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000418954138 208922942 /nfs/dbraw/zinc/92/29/42/208922942.db2.gz XEVPRHRCGLOBKT-JOYOIKCWSA-N 1 0 336.348 0.025 20 5 ECBDRO O=C(C[NH2+]C(CO)CO)Nc1ccc([N+](=O)[O-])cc1Br ZINC000570525837 322690640 /nfs/dbraw/zinc/69/06/40/322690640.db2.gz UMOUIZRMFNKOJL-UHFFFAOYSA-N 1 0 348.153 0.239 20 5 ECBDRO O=C1OCCN1CCC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000496127565 255073576 /nfs/dbraw/zinc/07/35/76/255073576.db2.gz IHRGTVUKOHGHQO-GFCCVEGCSA-N 1 0 339.348 0.766 20 5 ECBDRO Cn1cncc1C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000116922427 221010947 /nfs/dbraw/zinc/01/09/47/221010947.db2.gz WKSBPWPWTMXCCI-UHFFFAOYSA-N 1 0 339.377 0.396 20 5 ECBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCCC[NH+]1CCC(O)CC1 ZINC000118722919 221172841 /nfs/dbraw/zinc/17/28/41/221172841.db2.gz NCHAIPCPRJQIHD-UHFFFAOYSA-N 1 0 337.376 0.937 20 5 ECBDRO CCOc1ccc(NC(=O)CN2CCO[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000358113804 299688190 /nfs/dbraw/zinc/68/81/90/299688190.db2.gz CUFUGSDEEVPZDF-GFCCVEGCSA-N 1 0 338.364 0.592 20 5 ECBDRO C[NH+](C)[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000129172143 296661405 /nfs/dbraw/zinc/66/14/05/296661405.db2.gz IVQTVGMVLLRFPZ-CYBMUJFWSA-N 1 0 332.364 0.475 20 5 ECBDRO C[NH+]1CCC(O)(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000272326738 296765258 /nfs/dbraw/zinc/76/52/58/296765258.db2.gz LQCGPCAGLIHOEC-UHFFFAOYSA-N 1 0 337.332 0.510 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261970043 165271059 /nfs/dbraw/zinc/27/10/59/165271059.db2.gz YVKOLOUZNSBWKO-WDEREUQCSA-N 1 0 341.389 0.833 20 5 ECBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262001231 165274252 /nfs/dbraw/zinc/27/42/52/165274252.db2.gz PXALUBYXPBEYOL-RYUDHWBXSA-N 1 0 334.376 0.910 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000262088970 165289360 /nfs/dbraw/zinc/28/93/60/165289360.db2.gz HVXHEQPNUGGEDJ-ZJUUUORDSA-N 1 0 329.378 0.961 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000262097577 165291211 /nfs/dbraw/zinc/29/12/11/165291211.db2.gz ILKZPCMBBPHGRN-ONGXEEELSA-N 1 0 329.378 0.961 20 5 ECBDRO [NH3+]C1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000262135592 165296557 /nfs/dbraw/zinc/29/65/57/165296557.db2.gz JACCWTLHOOLPHT-UHFFFAOYSA-N 1 0 334.332 0.270 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000262364141 165338746 /nfs/dbraw/zinc/33/87/46/165338746.db2.gz WRNPJWMIXJVYJM-MWLCHTKSSA-N 1 0 329.378 0.961 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000262737738 165379092 /nfs/dbraw/zinc/37/90/92/165379092.db2.gz AZKJKXAMKQZBCL-ONGXEEELSA-N 1 0 329.378 0.880 20 5 ECBDRO COc1cc(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000262759118 165383135 /nfs/dbraw/zinc/38/31/35/165383135.db2.gz IWHJWJHMUZHDPT-VHSXEESVSA-N 1 0 329.378 0.974 20 5 ECBDRO COc1cc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC000262786170 165386985 /nfs/dbraw/zinc/38/69/85/165386985.db2.gz QIJDWMDINOVYBE-KOLCDFICSA-N 1 0 329.378 0.880 20 5 ECBDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000159437467 225217095 /nfs/dbraw/zinc/21/70/95/225217095.db2.gz WUAXTAILYSHGBU-WCQYABFASA-N 1 0 337.380 0.816 20 5 ECBDRO CO[C@H]1CCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)[C@H](C[NH3+])C1 ZINC000359229435 299825878 /nfs/dbraw/zinc/82/58/78/299825878.db2.gz OTWUIMUJFNOIEW-STQMWFEESA-N 1 0 339.396 0.763 20 5 ECBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000331774856 296967716 /nfs/dbraw/zinc/96/77/16/296967716.db2.gz BVSXXTCDXZAYLJ-WDEREUQCSA-N 1 0 331.325 0.095 20 5 ECBDRO CC[NH+]1CCN(CCNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000269469081 263184176 /nfs/dbraw/zinc/18/41/76/263184176.db2.gz UFBXATQSRWPRSV-UHFFFAOYSA-N 1 0 338.412 0.809 20 5 ECBDRO C[C@H]1C[NH+](CCCCNC(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000270843454 263278153 /nfs/dbraw/zinc/27/81/53/263278153.db2.gz WDKZPQCAOYVPJU-RYUDHWBXSA-N 1 0 339.396 0.948 20 5 ECBDRO C[NH+](C)[C@@H]1CCCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000272520262 263350613 /nfs/dbraw/zinc/35/06/13/263350613.db2.gz NRYBEZBGPAUMMO-SNVBAGLBSA-N 1 0 328.394 0.773 20 5 ECBDRO C[C@@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@@H](C)C[NH2+]1 ZINC000272555012 263352056 /nfs/dbraw/zinc/35/20/56/263352056.db2.gz LCTVYJNYSFDHMR-MNOVXSKESA-N 1 0 330.348 0.998 20 5 ECBDRO CC[N@H+](CCOCCO)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000281959205 264000834 /nfs/dbraw/zinc/00/08/34/264000834.db2.gz GAFUDUOWGIDIJX-CYBMUJFWSA-N 1 0 328.365 0.665 20 5 ECBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000285580338 264324569 /nfs/dbraw/zinc/32/45/69/264324569.db2.gz ASXPEWIXIUFREN-GXTWGEPZSA-N 1 0 334.376 0.842 20 5 ECBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000295151478 265047699 /nfs/dbraw/zinc/04/76/99/265047699.db2.gz CDUGPRQNVGXGDW-INIZCTEOSA-N 1 0 337.376 0.987 20 5 ECBDRO NC(=O)c1cccc([N+](=O)[O-])c1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000420592851 274941266 /nfs/dbraw/zinc/94/12/66/274941266.db2.gz BMTJPJDLVNGKCI-GFCCVEGCSA-N 1 0 334.376 0.852 20 5 ECBDRO CC[NH2+]CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000151350664 276266214 /nfs/dbraw/zinc/26/62/14/276266214.db2.gz LKMBHIQNSOWNLY-JTQLQIEISA-N 1 0 340.405 0.987 20 5 ECBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423643729 276960016 /nfs/dbraw/zinc/96/00/16/276960016.db2.gz MSYGJDSKUAOXKJ-CYBMUJFWSA-N 1 0 334.376 0.545 20 5 ECBDRO O=C(NC[C@@H]1CCC[NH2+]1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000418369617 279851425 /nfs/dbraw/zinc/85/14/25/279851425.db2.gz NTCFFGZETLNWSO-LBPRGKRZSA-N 1 0 334.380 0.573 20 5 ECBDRO CC1(C)CN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000338225869 297246115 /nfs/dbraw/zinc/24/61/15/297246115.db2.gz OJQWYPVXSVBXAS-UHFFFAOYSA-N 1 0 341.389 0.822 20 5 ECBDRO CC(C)(NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000351526151 298776421 /nfs/dbraw/zinc/77/64/21/298776421.db2.gz WLFDLIAOWOIWRG-ZDUSSCGKSA-N 1 0 334.376 0.814 20 5 ECBDRO CCCc1n[nH]c(C(=O)NC[C@](C)(O)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000352099347 298885894 /nfs/dbraw/zinc/88/58/94/298885894.db2.gz WQYXJTMZZMODFW-CQSZACIVSA-N 1 0 327.385 0.703 20 5 ECBDRO C[C@H]([NH3+])CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 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336.348 0.928 20 5 ECBDRO C[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415665209 437838231 /nfs/dbraw/zinc/83/82/31/437838231.db2.gz XTGZJVNKWNQQDH-LURJTMIESA-N 1 0 345.153 0.759 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000415691636 437842322 /nfs/dbraw/zinc/84/23/22/437842322.db2.gz NQTRQUGBMDVQQJ-HNNXBMFYSA-N 1 0 336.348 0.739 20 5 ECBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424046906 437882998 /nfs/dbraw/zinc/88/29/98/437882998.db2.gz SCPPBBZUQISXSU-SWLSCSKDSA-N 1 0 349.343 0.108 20 5 ECBDRO Cn1cc([C@@H]2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)C[C@H]2[NH3+])cn1 ZINC000424249556 437913060 /nfs/dbraw/zinc/91/30/60/437913060.db2.gz YFPRWWHRRQUSGC-LSDHHAIUSA-N 1 0 345.359 0.660 20 5 ECBDRO O=C(NCCCN1CC[NH2+]CC1)NCCc1cccc([N+](=O)[O-])c1 ZINC000417934754 438093626 /nfs/dbraw/zinc/09/36/26/438093626.db2.gz GAYCFYNCEJJTOD-UHFFFAOYSA-N 1 0 335.408 0.732 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2ccccn2)n1 ZINC000357922500 438098912 /nfs/dbraw/zinc/09/89/12/438098912.db2.gz GYSKWZQHAQHZCY-UHFFFAOYSA-N 1 0 332.364 0.927 20 5 ECBDRO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000366353259 438058766 /nfs/dbraw/zinc/05/87/66/438058766.db2.gz DCAHYTBSCAHHEE-QXSJWSMHSA-N 1 0 333.388 0.651 20 5 ECBDRO C[N@H+]1CC=C(CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000342792707 438066499 /nfs/dbraw/zinc/06/64/99/438066499.db2.gz URHWFPRFLQKNGD-UHFFFAOYSA-N 1 0 326.378 0.916 20 5 ECBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000417762083 438075766 /nfs/dbraw/zinc/07/57/66/438075766.db2.gz IDDZPCIUOQGOKL-HNNXBMFYSA-N 1 0 347.419 0.826 20 5 ECBDRO NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000372346447 438076090 /nfs/dbraw/zinc/07/60/90/438076090.db2.gz NOVVEKBEQRVVDA-BNOWGMLFSA-N 1 0 334.376 0.875 20 5 ECBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[C@H]1C[N@H+]1CCC[C@H]1CO ZINC000373306015 438142981 /nfs/dbraw/zinc/14/29/81/438142981.db2.gz SXCYIIVNEVJCCF-STQMWFEESA-N 1 0 349.391 0.865 20 5 ECBDRO C[C@@H](C[NH3+])CNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000418489530 438151570 /nfs/dbraw/zinc/15/15/70/438151570.db2.gz LZQOLPZXPGKTCQ-LBPRGKRZSA-N 1 0 349.391 0.657 20 5 ECBDRO COc1cc(CNC[C@@]2(O)CC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000358164960 438172950 /nfs/dbraw/zinc/17/29/50/438172950.db2.gz NTRSQMUZVPIWMO-HNNXBMFYSA-N 1 0 325.365 0.768 20 5 ECBDRO C[N@@H+]1C[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)[C@H](c2ccccc2)C1 ZINC000351486282 438267663 /nfs/dbraw/zinc/26/76/63/438267663.db2.gz MSSZVDZHYNZIEB-STQMWFEESA-N 1 0 330.348 0.400 20 5 ECBDRO O=C1NC[C@@H]2C[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC[C@@H]12 ZINC000368073462 438284069 /nfs/dbraw/zinc/28/40/69/438284069.db2.gz ZYAWYDNVDXHFGH-JHJVBQTASA-N 1 0 335.360 0.402 20 5 ECBDRO COc1cc(C[N@@H+]2CC[C@H]3C(=O)NC(=O)[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000367776384 438248917 /nfs/dbraw/zinc/24/89/17/438248917.db2.gz FBISMGUTZBWGQI-MNOVXSKESA-N 1 0 349.343 0.707 20 5 ECBDRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000418924021 438251184 /nfs/dbraw/zinc/25/11/84/438251184.db2.gz OEMGNGIRHDTYRM-ZDUSSCGKSA-N 1 0 336.392 0.743 20 5 ECBDRO COc1ccc(CNC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000418934230 438254136 /nfs/dbraw/zinc/25/41/36/438254136.db2.gz IVWXOZNPMRZMSZ-MWLCHTKSSA-N 1 0 336.348 0.025 20 5 ECBDRO Nc1nccc([C@@H]2CCC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000368455288 438331036 /nfs/dbraw/zinc/33/10/36/438331036.db2.gz OCHMDPOAUSZNAI-DGCLKSJQSA-N 1 0 347.379 0.404 20 5 ECBDRO C[C@H](NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000419131352 438338259 /nfs/dbraw/zinc/33/82/59/438338259.db2.gz CMMYGYLUUMCQDK-GMXVVIOVSA-N 1 0 334.376 0.886 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368191833 438299207 /nfs/dbraw/zinc/29/92/07/438299207.db2.gz CJHVMDAZNATRKK-DLOVCJGASA-N 1 0 338.339 0.529 20 5 ECBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000419039698 438300827 /nfs/dbraw/zinc/30/08/27/438300827.db2.gz LLVYRDAKHCPIDS-CQSZACIVSA-N 1 0 348.403 0.854 20 5 ECBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000368594793 438352896 /nfs/dbraw/zinc/35/28/96/438352896.db2.gz XLNWTCBSQZWYRE-SWLSCSKDSA-N 1 0 346.387 0.877 20 5 ECBDRO O=C1NC(=O)[C@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@H]12 ZINC000368635341 438355885 /nfs/dbraw/zinc/35/58/85/438355885.db2.gz FQHWOQIHNXEHES-STQMWFEESA-N 1 0 347.327 0.556 20 5 ECBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000352104356 438383868 /nfs/dbraw/zinc/38/38/68/438383868.db2.gz DRNBETJSWLPSRF-HNNXBMFYSA-N 1 0 325.365 0.793 20 5 ECBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCN(C)C[C@H]2C[NH3+])c1C ZINC000390869428 438435795 /nfs/dbraw/zinc/43/57/95/438435795.db2.gz QSIGDDWZKDGQPQ-CYBMUJFWSA-N 1 0 342.421 0.475 20 5 ECBDRO CN1CCN(C2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)C(=O)C1 ZINC000378599079 438407665 /nfs/dbraw/zinc/40/76/65/438407665.db2.gz UEZLJOVWXZEDLQ-UHFFFAOYSA-N 1 0 336.396 0.030 20 5 ECBDRO C[C@@H](CCC[NH3+])NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000420451773 438409000 /nfs/dbraw/zinc/40/90/00/438409000.db2.gz ZSZKGQRZUGRAIX-VIFPVBQESA-N 1 0 345.377 0.772 20 5 ECBDRO CCn1cc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c([N+](=O)[O-])n1 ZINC000407989875 438480029 /nfs/dbraw/zinc/48/00/29/438480029.db2.gz IUJSAUQWOOIGRN-MNOVXSKESA-N 1 0 343.409 0.668 20 5 ECBDRO CN(CCC[NH+](C)C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420968781 438454793 /nfs/dbraw/zinc/45/47/93/438454793.db2.gz AEVSYEQNBRJAKT-UHFFFAOYSA-N 1 0 344.437 0.757 20 5 ECBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000422018419 438511269 /nfs/dbraw/zinc/51/12/69/438511269.db2.gz JFNCSSNQKKLFCE-CQSZACIVSA-N 1 0 334.376 0.877 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H](CO)C2CCOCC2)c1 ZINC000359900077 438515975 /nfs/dbraw/zinc/51/59/75/438515975.db2.gz XLJRTNYLZZOPKM-ZBFHGGJFSA-N 1 0 340.376 0.712 20 5 ECBDRO C[C@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1C[NH2+]C1 ZINC000422931235 438617172 /nfs/dbraw/zinc/61/71/72/438617172.db2.gz BEGAJZHWZLKECI-JTQLQIEISA-N 1 0 328.394 0.071 20 5 ECBDRO CCO[C@@H]1COC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000451949296 438619836 /nfs/dbraw/zinc/61/98/36/438619836.db2.gz WNVWCZMCNBOMGE-LALPHHSUSA-N 1 0 326.349 0.728 20 5 ECBDRO C[C@@H]1CC[NH2+]C[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423031025 438629712 /nfs/dbraw/zinc/62/97/12/438629712.db2.gz CRMFQPCSSPBKAW-BXUZGUMPSA-N 1 0 327.406 0.956 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000422829033 438610213 /nfs/dbraw/zinc/61/02/13/438610213.db2.gz UITJZAXCOXAGRF-TXEJJXNPSA-N 1 0 334.376 0.842 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000423511502 438681687 /nfs/dbraw/zinc/68/16/87/438681687.db2.gz TXHSNCQUEHDBHD-RYUDHWBXSA-N 1 0 334.376 0.842 20 5 ECBDRO C[C@@H](CN1CCOCC1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000554862658 438769519 /nfs/dbraw/zinc/76/95/19/438769519.db2.gz KAQSMWOMEAIBEC-DZGCQCFKSA-N 1 0 339.392 0.645 20 5 ECBDRO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)n1 ZINC000577055068 438810278 /nfs/dbraw/zinc/81/02/78/438810278.db2.gz SQLLSGBYQNBDRW-UHFFFAOYSA-N 1 0 345.363 0.868 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000595608412 438833673 /nfs/dbraw/zinc/83/36/73/438833673.db2.gz PGPQHHXDPDWIKS-KBPBESRZSA-N 1 0 347.375 0.948 20 5 ECBDRO C[NH+](C)[C@@H]1CCCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000589114060 438855913 /nfs/dbraw/zinc/85/59/13/438855913.db2.gz NTJHPZAHBHSHKP-LLVKDONJSA-N 1 0 328.394 0.773 20 5 ECBDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595659566 438841048 /nfs/dbraw/zinc/84/10/48/438841048.db2.gz NUNAHVBXHZNYSO-SMDDNHRTSA-N 1 0 337.332 0.844 20 5 ECBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000588866691 438846190 /nfs/dbraw/zinc/84/61/90/438846190.db2.gz PWLFEVKGPGMPES-LBPRGKRZSA-N 1 0 333.348 0.433 20 5 ECBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000516126170 438894206 /nfs/dbraw/zinc/89/42/06/438894206.db2.gz AWECSANSGFGKDE-LLVKDONJSA-N 1 0 326.378 0.849 20 5 ECBDRO COC(=O)COc1ccc(C[NH2+]C2COCCOC2)cc1[N+](=O)[O-] ZINC000589938493 438894831 /nfs/dbraw/zinc/89/48/31/438894831.db2.gz UIGNGXIGNVEIQJ-UHFFFAOYSA-N 1 0 340.332 0.652 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)c1 ZINC000515581157 438874265 /nfs/dbraw/zinc/87/42/65/438874265.db2.gz SOGVSEWTDGZELB-LNSITVRQSA-N 1 0 326.349 0.010 20 5 ECBDRO O=C(CNC1(CO)CC[NH2+]CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595897298 438880732 /nfs/dbraw/zinc/88/07/32/438880732.db2.gz SWGPLHRCPRUYKR-UHFFFAOYSA-N 1 0 342.783 0.891 20 5 ECBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(CC[NH3+])C[C@@H](O)CO ZINC000595901583 438882255 /nfs/dbraw/zinc/88/22/55/438882255.db2.gz FUIIXNPDEOMSIA-CQSZACIVSA-N 1 0 327.381 0.496 20 5 ECBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000595989211 438908191 /nfs/dbraw/zinc/90/81/91/438908191.db2.gz QYKYKHWCTWBHRT-VHTNMKBUSA-N 1 0 332.360 0.581 20 5 ECBDRO CCOc1ccc(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)cc1[N+](=O)[O-] ZINC000595991893 438910996 /nfs/dbraw/zinc/91/09/96/438910996.db2.gz UHNUXPBRYQSWGW-UHFFFAOYSA-N 1 0 347.331 0.878 20 5 ECBDRO Cc1n[nH]c(C(=O)N2CCC([N@H+]3CCOC[C@H]3C)CC2)c1[N+](=O)[O-] ZINC000590386609 438916480 /nfs/dbraw/zinc/91/64/80/438916480.db2.gz CLCVDSVZZCJJGW-SNVBAGLBSA-N 1 0 337.380 0.952 20 5 ECBDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000596070190 438920163 /nfs/dbraw/zinc/92/01/63/438920163.db2.gz NUMGINHGPTXPAU-KCXAZCMYSA-N 1 0 334.376 0.906 20 5 ECBDRO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000596087074 438923511 /nfs/dbraw/zinc/92/35/11/438923511.db2.gz DBZJWTIRZSKMRL-SECBINFHSA-N 1 0 326.378 0.891 20 5 ECBDRO CN(CC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2)c1ccccc1[N+](=O)[O-] ZINC000590542020 438929098 /nfs/dbraw/zinc/92/90/98/438929098.db2.gz WFBLSBGOAJNGDR-CQSZACIVSA-N 1 0 347.419 0.537 20 5 ECBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000590582790 438934555 /nfs/dbraw/zinc/93/45/55/438934555.db2.gz UQYKOEONBZNNIH-MFKMUULPSA-N 1 0 340.405 0.773 20 5 ECBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000596267902 438947901 /nfs/dbraw/zinc/94/79/01/438947901.db2.gz CBOBYTXPMDNHKP-UHFFFAOYSA-N 1 0 349.391 0.780 20 5 ECBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596279116 438950176 /nfs/dbraw/zinc/95/01/76/438950176.db2.gz PPGOVNIHNYQLSH-NSHDSACASA-N 1 0 328.394 0.773 20 5 ECBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000565481276 438956072 /nfs/dbraw/zinc/95/60/72/438956072.db2.gz SQQMOHCPAAYGOP-QWRGUYRKSA-N 1 0 334.376 0.722 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1OC[C@H](O)CN1CC[NH+](C)CC1 ZINC000517239819 438957053 /nfs/dbraw/zinc/95/70/53/438957053.db2.gz UKHUJUYHYMQEKF-CYBMUJFWSA-N 1 0 325.365 0.591 20 5 ECBDRO Nc1cc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000596541555 438974073 /nfs/dbraw/zinc/97/40/73/438974073.db2.gz ZHJNQTHGVMPUQV-AWEZNQCLSA-N 1 0 336.392 0.705 20 5 ECBDRO O=C1C[C@@H]([N@@H+]2C[C@@H]3COC[C@@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000601909555 438988576 /nfs/dbraw/zinc/98/85/76/438988576.db2.gz FQMIVHBBOCPNHW-UHIISALHSA-N 1 0 331.328 0.805 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000591299740 438999457 /nfs/dbraw/zinc/99/94/57/438999457.db2.gz TZLWSAVNHMUSFX-GWCFXTLKSA-N 1 0 336.348 0.416 20 5 ECBDRO Cn1c(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000579343704 438999911 /nfs/dbraw/zinc/99/99/11/438999911.db2.gz JFXPAQYPCDSJCS-ABAIWWIYSA-N 1 0 349.391 0.310 20 5 ECBDRO O=C(CN1CC[C@H]2CC[NH2+][C@H]2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000591449327 439014343 /nfs/dbraw/zinc/01/43/43/439014343.db2.gz VIZNBMKCMXDCLI-PWSUYJOCSA-N 1 0 348.359 0.946 20 5 ECBDRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000591578190 439023420 /nfs/dbraw/zinc/02/34/20/439023420.db2.gz NTYCZLLZOKKUGN-UHFFFAOYSA-N 1 0 348.403 0.923 20 5 ECBDRO C[NH2+]C[C@@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000566244672 439031608 /nfs/dbraw/zinc/03/16/08/439031608.db2.gz PUKQXSREDVJDMJ-LBPRGKRZSA-N 1 0 327.406 0.910 20 5 ECBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CN1c2cc([N+](=O)[O-])ccc2OCC1=O ZINC000580656059 439114365 /nfs/dbraw/zinc/11/43/65/439114365.db2.gz HWRGGBKTLQZFRQ-MNOVXSKESA-N 1 0 348.359 0.658 20 5 ECBDRO COCCN1CC[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000591734803 439078608 /nfs/dbraw/zinc/07/86/08/439078608.db2.gz HMGYANCBAMPSGM-ZFWWWQNUSA-N 1 0 339.392 0.645 20 5 ECBDRO CN1Cc2ccccc2[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000591757252 439081967 /nfs/dbraw/zinc/08/19/67/439081967.db2.gz DYXJARLOVCQUIM-GDBMZVCRSA-N 1 0 331.376 0.929 20 5 ECBDRO O=C1CCC[C@@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)N1 ZINC000591764218 439082943 /nfs/dbraw/zinc/08/29/43/439082943.db2.gz XNVHWKRYUBWNGZ-NSHDSACASA-N 1 0 341.389 0.627 20 5 ECBDRO C[C@]1(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C[NH2+]CCO1 ZINC000602429564 439083418 /nfs/dbraw/zinc/08/34/18/439083418.db2.gz GIJOBWZORYJDKK-MRXNPFEDSA-N 1 0 334.376 0.622 20 5 ECBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)N1CCCC[C@H]1C ZINC000567690460 439166436 /nfs/dbraw/zinc/16/64/36/439166436.db2.gz BRGHSGXCNFSQPV-MBNYWOFBSA-N 1 0 339.396 0.531 20 5 ECBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000522061007 439142284 /nfs/dbraw/zinc/14/22/84/439142284.db2.gz PXJWCOAPUIBVRT-CQSZACIVSA-N 1 0 342.355 0.760 20 5 ECBDRO C[NH+](C)C[C@@H](CO)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000597654244 439150090 /nfs/dbraw/zinc/15/00/90/439150090.db2.gz QRDPEWWDLWHFAR-NSHDSACASA-N 1 0 348.359 0.561 20 5 ECBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+](CCO)CCN1CCOCC1 ZINC000487492682 439151068 /nfs/dbraw/zinc/15/10/68/439151068.db2.gz AEZAKIRTVZRGDW-UHFFFAOYSA-N 1 0 339.392 0.600 20 5 ECBDRO C[NH+](C)CC1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000597709584 439164775 /nfs/dbraw/zinc/16/47/75/439164775.db2.gz ZAPHHUPCAZCLHD-UHFFFAOYSA-N 1 0 346.343 0.211 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000592389761 439219348 /nfs/dbraw/zinc/21/93/48/439219348.db2.gz GDRBYNWWTJYLHF-WDEREUQCSA-N 1 0 341.389 0.976 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000592389718 439219829 /nfs/dbraw/zinc/21/98/29/439219829.db2.gz YBYNGQHMAABVQA-NSHDSACASA-N 1 0 329.378 0.961 20 5 ECBDRO C[N@H+]1C[C@H]2CN(C(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@H]2C1 ZINC000581522973 439221980 /nfs/dbraw/zinc/22/19/80/439221980.db2.gz ATJZOQWDQUAFIB-BETUJISGSA-N 1 0 347.371 0.929 20 5 ECBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)c1 ZINC000592303227 439196960 /nfs/dbraw/zinc/19/69/60/439196960.db2.gz KPVMOLQCTGSJGC-UHFFFAOYSA-N 1 0 331.336 0.683 20 5 ECBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCO1 ZINC000592307402 439197790 /nfs/dbraw/zinc/19/77/90/439197790.db2.gz HVIRRZJVJLKMDL-ABAIWWIYSA-N 1 0 345.359 0.969 20 5 ECBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CCO1 ZINC000592307869 439198969 /nfs/dbraw/zinc/19/89/69/439198969.db2.gz KDSPLSZSZJLFGV-ABAIWWIYSA-N 1 0 345.359 0.969 20 5 ECBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCCN(C)CCC[NH+](C)C)n1 ZINC000597990147 439206544 /nfs/dbraw/zinc/20/65/44/439206544.db2.gz OMRJVCALUKXGAP-UHFFFAOYSA-N 1 0 326.401 0.425 20 5 ECBDRO Cc1ccc(C)c(S(=O)(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000592373784 439212525 /nfs/dbraw/zinc/21/25/25/439212525.db2.gz BLSZTXVTQHKZHX-VXGBXAGGSA-N 1 0 343.405 0.948 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000592386892 439215186 /nfs/dbraw/zinc/21/51/86/439215186.db2.gz YTCOCJGCXSTLEC-VHSXEESVSA-N 1 0 329.378 0.880 20 5 ECBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CCO1 ZINC000598540521 439275480 /nfs/dbraw/zinc/27/54/80/439275480.db2.gz OSPGLRMUKPXOBI-GFCCVEGCSA-N 1 0 325.369 0.361 20 5 ECBDRO COc1ccc(NC(=O)CN2CCO[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000592474822 439236129 /nfs/dbraw/zinc/23/61/29/439236129.db2.gz DFHJKQCERWUDME-QMTHXVAHSA-N 1 0 338.364 0.590 20 5 ECBDRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000592553121 439253135 /nfs/dbraw/zinc/25/31/35/439253135.db2.gz OASDBWWUJPPBKC-ZDUSSCGKSA-N 1 0 337.332 0.337 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000568512356 439253644 /nfs/dbraw/zinc/25/36/44/439253644.db2.gz NWSBIQPOHQAMOI-NXEZZACHSA-N 1 0 338.364 0.462 20 5 ECBDRO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)nc1 ZINC000603423952 439259131 /nfs/dbraw/zinc/25/91/31/439259131.db2.gz RXJQUKGRHBFOBF-CYBMUJFWSA-N 1 0 336.396 0.593 20 5 ECBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)NCc3cccc([N+](=O)[O-])c3)C[C@H]12 ZINC000569215974 439314604 /nfs/dbraw/zinc/31/46/04/439314604.db2.gz JJJZPLKIRVPMMA-FPMFFAJLSA-N 1 0 332.360 0.407 20 5 ECBDRO COC[C@@H]1C[C@@H](O)C[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000593060585 439335756 /nfs/dbraw/zinc/33/57/56/439335756.db2.gz CPLUGDNJBSBCOO-BFHYXJOUSA-N 1 0 326.349 0.416 20 5 ECBDRO CCc1n[nH]c(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c1[N+](=O)[O-] ZINC000592872986 439293100 /nfs/dbraw/zinc/29/31/00/439293100.db2.gz NVOZKKXZVDDNQG-VIFPVBQESA-N 1 0 338.368 0.072 20 5 ECBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000592874594 439295092 /nfs/dbraw/zinc/29/50/92/439295092.db2.gz TZLWVKGNDUSGEY-SNVBAGLBSA-N 1 0 338.339 0.926 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)cccc1[N+](=O)[O-] ZINC000598683409 439302897 /nfs/dbraw/zinc/30/28/97/439302897.db2.gz GDWCFGFEBUSDQG-GUYCJALGSA-N 1 0 346.387 0.859 20 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/nfs/dbraw/zinc/36/24/32/439362432.db2.gz WEDNDXWZGZMDOW-UHFFFAOYSA-N 1 0 331.398 0.339 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C[NH3+])C2CCCCC2)n1 ZINC000599096958 439354857 /nfs/dbraw/zinc/35/48/57/439354857.db2.gz COMICLRXNJKWEK-JTQLQIEISA-N 1 0 331.398 0.514 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000599098896 439355196 /nfs/dbraw/zinc/35/51/96/439355196.db2.gz AFUYFXUPOZZJHE-IVZWLZJFSA-N 1 0 329.382 0.076 20 5 ECBDRO Cc1cc(NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000569710157 439357105 /nfs/dbraw/zinc/35/71/05/439357105.db2.gz OOYSFTSGKQEJKW-VXGBXAGGSA-N 1 0 333.348 0.679 20 5 ECBDRO CCn1cc(S(=O)(=O)N[C@H]2CC[NH2+]C23CCC3)c([N+](=O)[O-])n1 ZINC000599103232 439357316 /nfs/dbraw/zinc/35/73/16/439357316.db2.gz PSVVNUPQPCPOCX-JTQLQIEISA-N 1 0 329.382 0.374 20 5 ECBDRO [NH3+]CC1(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000599101304 439357416 /nfs/dbraw/zinc/35/74/16/439357416.db2.gz BXYJCXXCAOFCQK-UHFFFAOYSA-N 1 0 329.378 0.522 20 5 ECBDRO CC(=O)c1ccc(OC[C@@H](O)CN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000593335456 439369918 /nfs/dbraw/zinc/36/99/18/439369918.db2.gz BKISWAKOTBSNKE-AWEZNQCLSA-N 1 0 337.376 0.785 20 5 ECBDRO C[C@@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000599218883 439388199 /nfs/dbraw/zinc/38/81/99/439388199.db2.gz FIVNNGFTPADQKF-JTQLQIEISA-N 1 0 331.398 0.339 20 5 ECBDRO CCOC(=O)C[C@H](O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000599325820 439434822 /nfs/dbraw/zinc/43/48/22/439434822.db2.gz MJOTYEFKKCROBL-AAEUAGOBSA-N 1 0 338.364 0.790 20 5 ECBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NC[C@H]1C[NH2+]CCO1 ZINC000570835704 439454992 /nfs/dbraw/zinc/45/49/92/439454992.db2.gz UEYSASDRWPHGKI-LLVKDONJSA-N 1 0 337.332 0.013 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCCC[N@H+](C)C2)n1 ZINC000599414919 439461108 /nfs/dbraw/zinc/46/11/08/439461108.db2.gz KKIVQKMJXUBAEV-JTQLQIEISA-N 1 0 331.398 0.339 20 5 ECBDRO Cc1c(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000583511820 439475766 /nfs/dbraw/zinc/47/57/66/439475766.db2.gz ZFGYGCAHMWSSFC-CHWSQXEVSA-N 1 0 347.375 0.357 20 5 ECBDRO O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CC[NH2+]C1 ZINC000571226906 439487768 /nfs/dbraw/zinc/48/77/68/439487768.db2.gz UKPVUYOHJHPXAJ-JTQLQIEISA-N 1 0 342.377 0.030 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCC1(C[NH3+])CC1 ZINC000593915039 439494491 /nfs/dbraw/zinc/49/44/91/439494491.db2.gz UOVXEROWWORHJT-NSHDSACASA-N 1 0 334.376 0.958 20 5 ECBDRO [NH3+][C@H]1C[C@@H]2CN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CCN2C1=O ZINC000571344928 439495910 /nfs/dbraw/zinc/49/59/10/439495910.db2.gz XWEWYTGCMWZQNA-NEPJUHHUSA-N 1 0 338.751 0.632 20 5 ECBDRO CNc1nc(C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC000583390710 439459178 /nfs/dbraw/zinc/45/91/78/439459178.db2.gz ZBHKZKRFKWAHOU-OAHLLOKOSA-N 1 0 335.364 0.218 20 5 ECBDRO C[NH+](C)C1CCN(CCNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000594305651 439538671 /nfs/dbraw/zinc/53/86/71/439538671.db2.gz DKZHVIHPWFBXGP-UHFFFAOYSA-N 1 0 336.396 0.328 20 5 ECBDRO CN(C)[C@]1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCSC1 ZINC000572952694 439618764 /nfs/dbraw/zinc/61/87/64/439618764.db2.gz DYWQKQQWFHENKW-OLZOCXBDSA-N 1 0 329.426 0.179 20 5 ECBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000594477594 439567099 /nfs/dbraw/zinc/56/70/99/439567099.db2.gz GVKMDBXTFFIMDB-UONOGXRCSA-N 1 0 341.389 0.175 20 5 ECBDRO C[NH+](C)[C@H]1C[C@@H](CNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 ZINC000594591764 439579765 /nfs/dbraw/zinc/57/97/65/439579765.db2.gz JPWCGSAXCATFRH-AOOOYVTPSA-N 1 0 328.394 0.994 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCCN1CCC[N@@H+](C)CC1 ZINC000609619842 439580834 /nfs/dbraw/zinc/58/08/34/439580834.db2.gz KMYUXIMCGOBGEC-UHFFFAOYSA-N 1 0 338.412 0.244 20 5 ECBDRO COC(=O)c1cc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc(C)c1[N+](=O)[O-] ZINC000594603056 439580889 /nfs/dbraw/zinc/58/08/89/439580889.db2.gz HQODNYNUELNRFM-QWHCGFSZSA-N 1 0 335.360 0.945 20 5 ECBDRO COc1c(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000599941811 439580910 /nfs/dbraw/zinc/58/09/10/439580910.db2.gz YUZNBKIAMXJMEJ-NWDGAFQWSA-N 1 0 335.360 0.885 20 5 ECBDRO COc1c(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000599941813 439581424 /nfs/dbraw/zinc/58/14/24/439581424.db2.gz YUZNBKIAMXJMEJ-VXGBXAGGSA-N 1 0 335.360 0.885 20 5 ECBDRO Cc1cc(OCC(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000599938656 439581817 /nfs/dbraw/zinc/58/18/17/439581817.db2.gz CSDVDJZDJWUCCC-ZIAGYGMSSA-N 1 0 349.387 0.950 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000599939244 439581841 /nfs/dbraw/zinc/58/18/41/439581841.db2.gz UCDIXCIOGBDUEL-CHWSQXEVSA-N 1 0 335.360 0.885 20 5 ECBDRO CCOC[C@@H](O)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000584406537 439584515 /nfs/dbraw/zinc/58/45/15/439584515.db2.gz OUZGLGYUEKCFKL-LBPRGKRZSA-N 1 0 332.378 0.356 20 5 ECBDRO [NH3+][C@H]1C[C@@H]2CN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CCN2C1=O ZINC000594694434 439592561 /nfs/dbraw/zinc/59/25/61/439592561.db2.gz PZVOXKVQWIURQX-ZJUUUORDSA-N 1 0 342.302 0.944 20 5 ECBDRO [NH3+][C@@H]1C[C@H]2CN(c3ccnc4cc([N+](=O)[O-])ccc43)CCN2C1=O ZINC000594702743 439593425 /nfs/dbraw/zinc/59/34/25/439593425.db2.gz WHEZWDGYJJQXKX-WCQYABFASA-N 1 0 327.344 0.891 20 5 ECBDRO [NH3+][C@H]1C[C@H]2CN(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CCN2C1=O ZINC000594736413 439599794 /nfs/dbraw/zinc/59/97/94/439599794.db2.gz GBBXLHGQZSOBRF-RYUDHWBXSA-N 1 0 348.359 0.110 20 5 ECBDRO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000584715070 439609981 /nfs/dbraw/zinc/60/99/81/439609981.db2.gz DOALOQQSSVJSDS-HLSYRSCKSA-N 1 0 349.387 0.933 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@]1(O)CCS(=O)(=O)C1 ZINC000595041721 439650902 /nfs/dbraw/zinc/65/09/02/439650902.db2.gz OWXPFDRPTNPPQU-YGRLFVJLSA-N 1 0 344.389 0.804 20 5 ECBDRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC[NH2+]1 ZINC000572978203 439621737 /nfs/dbraw/zinc/62/17/37/439621737.db2.gz RXNRGWZMURWEDR-DGCLKSJQSA-N 1 0 346.387 0.736 20 5 ECBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000611236551 439683415 /nfs/dbraw/zinc/68/34/15/439683415.db2.gz STNMJVWGDJCOSJ-GFCCVEGCSA-N 1 0 336.396 0.180 20 5 ECBDRO CC(C)OC[C@H]([NH3+])C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000595256356 439683781 /nfs/dbraw/zinc/68/37/81/439683781.db2.gz UXLBXJOEOYHXCR-ZDUSSCGKSA-N 1 0 336.392 0.996 20 5 ECBDRO C[NH+](C)[C@@H]1[C@H]2CN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000600669446 439687337 /nfs/dbraw/zinc/68/73/37/439687337.db2.gz MRTRVVCHIQFAFA-NHAGDIPZSA-N 1 0 339.417 0.959 20 5 ECBDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000600691216 439690030 /nfs/dbraw/zinc/69/00/30/439690030.db2.gz ITXYIGCAMFVUDI-JTQLQIEISA-N 1 0 342.377 0.066 20 5 ECBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@H+](CCOC)C2)n1 ZINC000617405658 439878157 /nfs/dbraw/zinc/87/81/57/439878157.db2.gz JNMUPORREWEFOH-NSHDSACASA-N 1 0 325.369 0.652 20 5 ECBDRO CCO[C@@H]1C[C@](CO)([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000249364669 320545990 /nfs/dbraw/zinc/54/59/90/320545990.db2.gz MFKIUVZJIJSEGQ-UMVBOHGHSA-N 1 0 342.396 0.308 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@]2(CO)CCOc3ccccc32)c1 ZINC000281777131 320601694 /nfs/dbraw/zinc/60/16/94/320601694.db2.gz SSRLLKWEHWPMKF-BBRMVZONSA-N 1 0 348.359 0.412 20 5 ECBDRO Cc1nn(C)c(C(=O)N[C@H](CO)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000288615977 320656060 /nfs/dbraw/zinc/65/60/60/320656060.db2.gz VGGFEVAJZYXGTG-NSHDSACASA-N 1 0 325.369 0.213 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290260118 320679901 /nfs/dbraw/zinc/67/99/01/320679901.db2.gz XLGAUKNFUUDKTJ-ZDUSSCGKSA-N 1 0 334.376 0.605 20 5 ECBDRO C[NH+]1CCN(CCNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000322584341 320718117 /nfs/dbraw/zinc/71/81/17/320718117.db2.gz SLFOVUNGHYLMMY-UHFFFAOYSA-N 1 0 342.421 0.658 20 5 ECBDRO C[C@@H]1OCC[C@]12C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CCO2 ZINC000348248655 321271626 /nfs/dbraw/zinc/27/16/26/321271626.db2.gz PKXFSYPZHBAFAT-YUTCNCBUSA-N 1 0 326.353 0.032 20 5 ECBDRO [NH3+][C@@H]1CCc2ncc(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)cc2C1 ZINC000349055746 321296227 /nfs/dbraw/zinc/29/62/27/321296227.db2.gz JGWYWEYEVNULLR-LLVKDONJSA-N 1 0 343.343 0.606 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000349054545 321296242 /nfs/dbraw/zinc/29/62/42/321296242.db2.gz NZYNUEJHQXJVSN-NSHDSACASA-N 1 0 330.348 0.949 20 5 ECBDRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000353050689 321379578 /nfs/dbraw/zinc/37/95/78/321379578.db2.gz VDZIOBYBJJJPOH-UHFFFAOYSA-N 1 0 334.376 0.418 20 5 ECBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000532792767 322061343 /nfs/dbraw/zinc/06/13/43/322061343.db2.gz AWCPMLJFPUSALO-HNNXBMFYSA-N 1 0 340.380 0.585 20 5 ECBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](CO)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000562383067 322272118 /nfs/dbraw/zinc/27/21/18/322272118.db2.gz QDTHGGWMGUITQL-IUODEOHRSA-N 1 0 337.376 0.907 20 5 ECBDRO CC(C)NC(=O)CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000564845702 322399003 /nfs/dbraw/zinc/39/90/03/322399003.db2.gz WIWJQGVGTNOLRK-UHFFFAOYSA-N 1 0 343.405 0.873 20 5 ECBDRO O=c1c2c(ncn1CCOc1cccc([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000564927056 322409275 /nfs/dbraw/zinc/40/92/75/322409275.db2.gz QGOBICPTPCTELA-UHFFFAOYSA-N 1 0 330.344 0.919 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H](CO)CC2CCCC2)c1 ZINC000566232728 322516180 /nfs/dbraw/zinc/51/61/80/322516180.db2.gz SUSOJTJBZUYMEO-UKRRQHHQSA-N 1 0 326.397 0.931 20 5 ECBDRO COCC[NH2+]C1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000568150432 322614743 /nfs/dbraw/zinc/61/47/43/322614743.db2.gz HENXIQRQMCZJME-UHFFFAOYSA-N 1 0 325.369 0.408 20 5 ECBDRO COCC[NH2+]C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000571887643 322735865 /nfs/dbraw/zinc/73/58/65/322735865.db2.gz HXWOQMPGSZVBOT-UHFFFAOYSA-N 1 0 343.405 0.984 20 5 ECBDRO COC(=O)c1cc(C(=O)N2CCC(O)(C[NH3+])CC2)cc([N+](=O)[O-])c1 ZINC000572000188 322737695 /nfs/dbraw/zinc/73/76/95/322737695.db2.gz OWZSSBFVMAIWHR-UHFFFAOYSA-N 1 0 337.332 0.307 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1CN1C(=O)NC2(CC[NH2+]CC2)C1=O ZINC000572032685 322738421 /nfs/dbraw/zinc/73/84/21/322738421.db2.gz XTZVPJZHAVFEBV-UHFFFAOYSA-N 1 0 334.332 0.777 20 5 ECBDRO COc1ccc(CC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000572875663 322752671 /nfs/dbraw/zinc/75/26/71/322752671.db2.gz UPIARJRQNSQCLS-AWEZNQCLSA-N 1 0 348.403 0.652 20 5 ECBDRO O=C(NC[C@H]1C[NH2+]CCO1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000572878355 322752699 /nfs/dbraw/zinc/75/26/99/322752699.db2.gz AFUSNCIGNRLRRK-SNVBAGLBSA-N 1 0 332.316 0.567 20 5 ECBDRO C[C@@H](C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000573336932 322760218 /nfs/dbraw/zinc/76/02/18/322760218.db2.gz AVYQEKXEMCJJHN-IIMNLJJBSA-N 1 0 325.340 0.971 20 5 ECBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000573467195 322762363 /nfs/dbraw/zinc/76/23/63/322762363.db2.gz LAAWACGTCIDLHA-RISCZKNCSA-N 1 0 346.387 0.594 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000574271703 322776320 /nfs/dbraw/zinc/77/63/20/322776320.db2.gz YDGCNLYFOVRXBV-RYUDHWBXSA-N 1 0 344.389 0.501 20 5 ECBDRO O=C1CCC(=O)N1CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000577721991 322843965 /nfs/dbraw/zinc/84/39/65/322843965.db2.gz BVYRYXPVUYRDGK-LLVKDONJSA-N 1 0 337.332 0.073 20 5 ECBDRO COc1c(F)cc(S(=O)(=O)N[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000286668896 518127339 /nfs/dbraw/zinc/12/73/39/518127339.db2.gz KMPQCCGPNJOVHO-QMMMGPOBSA-N 1 0 335.357 0.971 20 5 ECBDRO CCOC(=O)[C@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000155113523 528064216 /nfs/dbraw/zinc/06/42/16/528064216.db2.gz JQKQVJWRLITIBM-WCQYABFASA-N 1 0 326.353 0.427 20 5 ECBDRO CC[NH+](CC)CC(=O)N1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174846791 528084923 /nfs/dbraw/zinc/08/49/23/528084923.db2.gz GACHBSYENGWZSW-UHFFFAOYSA-N 1 0 338.412 0.277 20 5 ECBDRO O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000293241744 545981225 /nfs/dbraw/zinc/98/12/25/545981225.db2.gz FIVOTKDZFVEBTG-CHWSQXEVSA-N 1 0 342.359 1.000 20 5 ECBDRO C[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736149618 578411555 /nfs/dbraw/zinc/41/15/55/578411555.db2.gz VCTWYSIJKWQHSH-SNVBAGLBSA-N 1 0 333.352 0.278 20 5 ECBDRO COCC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@H]1C ZINC000737004429 578472142 /nfs/dbraw/zinc/47/21/42/578472142.db2.gz MMTXSLMMPHPYJD-LLVKDONJSA-N 1 0 347.379 0.932 20 5 ECBDRO CC[NH+]1CCN(CCNS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000788676426 578842648 /nfs/dbraw/zinc/84/26/48/578842648.db2.gz UGBYCQBNGRJHNI-UHFFFAOYSA-N 1 0 348.450 0.572 20 5 ECBDRO C[NH+](C)CC(C)(C)CNC(=S)NCCn1cc([N+](=O)[O-])cn1 ZINC000768480885 579126632 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CN(C)C(=O)c1cccc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001266696905 836159896 /nfs/dbraw/zinc/15/98/96/836159896.db2.gz WFRXLXDXCYFTRK-HUUCEWRRSA-N 1 0 348.403 0.602 20 5 ECBDRO CCCn1cc(C(=O)N(C)CC[NH2+]Cc2c([N+](=O)[O-])ncn2C)cn1 ZINC001266848614 836377977 /nfs/dbraw/zinc/37/79/77/836377977.db2.gz YGVABVSELIKGNM-UHFFFAOYSA-N 1 0 349.395 0.797 20 5 ECBDRO CC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001266898372 836449954 /nfs/dbraw/zinc/44/99/54/836449954.db2.gz CGCOEMZNJDJBGF-VIKVFOODSA-N 1 0 332.360 0.277 20 5 ECBDRO CN(CC[NH2+]Cc1cccc2c1CCOC2)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267371276 837272605 /nfs/dbraw/zinc/27/26/05/837272605.db2.gz JBHGHEQSZJHQHA-HZPDHXFCSA-N 1 0 333.388 0.973 20 5 ECBDRO Cn1cc(CC[N@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC001267730430 838416304 /nfs/dbraw/zinc/41/63/04/838416304.db2.gz WKPZXKQKDSAHAH-HZPDHXFCSA-N 1 0 349.435 0.798 20 5 ECBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178116677 232087535 /nfs/dbraw/zinc/08/75/35/232087535.db2.gz RFYINYQKEVKBQR-ZDUSSCGKSA-N 1 0 337.380 0.362 20 5 ECBDRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000440360631 290816615 /nfs/dbraw/zinc/81/66/15/290816615.db2.gz VUCLOADATRVWDC-SECBINFHSA-N 1 0 343.361 0.348 20 5 ECBDRO CN(C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@@H](C[NH3+])C1CC1 ZINC000423941884 209857950 /nfs/dbraw/zinc/85/79/50/209857950.db2.gz DKBAATQIMMDGDY-AWEZNQCLSA-N 1 0 349.391 0.590 20 5 ECBDRO CCOC(=O)[C@](C)(O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000355051321 299190274 /nfs/dbraw/zinc/19/02/74/299190274.db2.gz NCMOSGCZAOUWKP-IAQYHMDHSA-N 1 0 338.364 0.790 20 5 ECBDRO CCOC(=O)c1cc(C(=O)N2CCO[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000423539254 209759563 /nfs/dbraw/zinc/75/95/63/209759563.db2.gz ONLYAFWMHNHHGU-ZDUSSCGKSA-N 1 0 337.332 0.571 20 5 ECBDRO CCc1n[nH]c(C(=O)N2CCO[C@H]3CC[N@@H+](CC)C[C@@H]32)c1[N+](=O)[O-] ZINC000355304044 299235495 /nfs/dbraw/zinc/23/54/95/299235495.db2.gz AUPOASUFSRFAHR-RYUDHWBXSA-N 1 0 337.380 0.816 20 5 ECBDRO CCOC(=O)c1cc(S(=O)(=O)N(C)CC[NH3+])cc([N+](=O)[O-])c1C ZINC000420473010 209373948 /nfs/dbraw/zinc/37/39/48/209373948.db2.gz UNIHDMALFSNJBH-UHFFFAOYSA-N 1 0 345.377 0.659 20 5 ECBDRO CN(CC[NH3+])S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000420472940 209373921 /nfs/dbraw/zinc/37/39/21/209373921.db2.gz TUAKURPFXMUKGQ-UHFFFAOYSA-N 1 0 338.183 0.937 20 5 ECBDRO [NH3+]C[C@@H]1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CCCO1 ZINC000420473348 209373616 /nfs/dbraw/zinc/37/36/16/209373616.db2.gz UVXZPYRRVGCSKB-CYBMUJFWSA-N 1 0 343.405 0.517 20 5 ECBDRO CN1CC[NH2+]C[C@H]1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000420465298 209372106 /nfs/dbraw/zinc/37/21/06/209372106.db2.gz YNKUSSQXYFHDNH-VIFPVBQESA-N 1 0 348.812 0.430 20 5 ECBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000420186930 209336014 /nfs/dbraw/zinc/33/60/14/209336014.db2.gz CVCSDGSGMWHAAX-SMDDNHRTSA-N 1 0 346.387 0.723 20 5 ECBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000420147598 209321488 /nfs/dbraw/zinc/32/14/88/209321488.db2.gz SJTJUXDRZMPPCB-DGCLKSJQSA-N 1 0 334.376 0.810 20 5 ECBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000420113569 209310624 /nfs/dbraw/zinc/31/06/24/209310624.db2.gz FDFSLITXJMSMTP-IAQYHMDHSA-N 1 0 346.387 0.594 20 5 ECBDRO C[NH2+]CCCNC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000419843873 209222121 /nfs/dbraw/zinc/22/21/21/209222121.db2.gz KGWAUKFCRNGVAD-UHFFFAOYSA-N 1 0 334.376 0.812 20 5 ECBDRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000419840759 209220813 /nfs/dbraw/zinc/22/08/13/209220813.db2.gz JJDNPYMIIKBZJJ-LLVKDONJSA-N 1 0 348.359 0.053 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000419762084 209199758 /nfs/dbraw/zinc/19/97/58/209199758.db2.gz RJERHPDQXYQRMQ-JQWIXIFHSA-N 1 0 334.376 0.715 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000419758994 209199141 /nfs/dbraw/zinc/19/91/41/209199141.db2.gz LMUCQSJJTNMTLR-UONOGXRCSA-N 1 0 346.387 0.587 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000419758593 209199191 /nfs/dbraw/zinc/19/91/91/209199191.db2.gz KERIGVJCUUQUMR-QWRGUYRKSA-N 1 0 334.376 0.728 20 5 ECBDRO C[C@@H]([NH3+])CCNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262532422 245021227 /nfs/dbraw/zinc/02/12/27/245021227.db2.gz JEONUBMTRAUSQB-SNVBAGLBSA-N 1 0 344.393 0.069 20 5 ECBDRO C[C@@H](C[NH3+])N(C)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000262613176 245065608 /nfs/dbraw/zinc/06/56/08/245065608.db2.gz FNIOFDSZBGMUKA-QMMMGPOBSA-N 1 0 326.378 0.591 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000262723904 245146918 /nfs/dbraw/zinc/14/69/18/245146918.db2.gz GLVFYOKAACXMDC-SDDRHHMPSA-N 1 0 334.376 0.922 20 5 ECBDRO COc1ccc(C[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1O ZINC000080985385 217347839 /nfs/dbraw/zinc/34/78/39/217347839.db2.gz ZEWJKZDHFWRRQK-ZDUSSCGKSA-N 1 0 336.348 0.998 20 5 ECBDRO NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CC[C@H]([NH+]3CC=CC3)C2)c1 ZINC000266308881 248239608 /nfs/dbraw/zinc/23/96/08/248239608.db2.gz ZXJUFTFJCGVAPK-NSHDSACASA-N 1 0 338.389 0.693 20 5 ECBDRO O=C1[C@H]([NH2+][C@@H](CO)[C@H]2CCCO2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000447913359 211217181 /nfs/dbraw/zinc/21/71/81/211217181.db2.gz MCPKHPKIMCKSOB-QLFBSQMISA-N 1 0 335.360 0.830 20 5 ECBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000153050796 224051964 /nfs/dbraw/zinc/05/19/64/224051964.db2.gz FMJXAYZDEQNFQG-UHFFFAOYSA-N 1 0 349.387 0.894 20 5 ECBDRO CC[NH+]1CCN([C@@H](C)CNc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000357297565 299558938 /nfs/dbraw/zinc/55/89/38/299558938.db2.gz HNMDPTPQOAHADZ-NSHDSACASA-N 1 0 336.396 0.527 20 5 ECBDRO COC[C@@H]1C[C@H](O)C[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000411914193 208167746 /nfs/dbraw/zinc/16/77/46/208167746.db2.gz STSSMLYGZWSPLB-RWMBFGLXSA-N 1 0 326.349 0.416 20 5 ECBDRO C[NH2+]C[C@H]1CCCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000429487157 210320304 /nfs/dbraw/zinc/32/03/04/210320304.db2.gz CFQRTLRYPOEUNI-CQSZACIVSA-N 1 0 349.391 0.604 20 5 ECBDRO C[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+](C2CCC2)C1 ZINC000429351662 210315052 /nfs/dbraw/zinc/31/50/52/210315052.db2.gz FWKZQKCPFNBWJV-XJKSGUPXSA-N 1 0 337.424 0.958 20 5 ECBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C1CC([NH3+])C1 ZINC000415788500 208580267 /nfs/dbraw/zinc/58/02/67/208580267.db2.gz LOBLGKVIDFBCGP-UHFFFAOYSA-N 1 0 336.348 0.880 20 5 ECBDRO C[C@H](C[NH3+])N(C)C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000429335560 210313237 /nfs/dbraw/zinc/31/32/37/210313237.db2.gz YMVDBCZEPMOVPC-SNVBAGLBSA-N 1 0 344.393 0.069 20 5 ECBDRO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NCC[C@H]1CC[NH2+]C1 ZINC000429106753 210297211 /nfs/dbraw/zinc/29/72/11/210297211.db2.gz MUASHXYELJIFSR-CYBMUJFWSA-N 1 0 349.391 0.510 20 5 ECBDRO [NH3+]C1CCC(NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000429005195 210292695 /nfs/dbraw/zinc/29/26/95/210292695.db2.gz YJORLAFBLBLUPB-UHFFFAOYSA-N 1 0 349.391 0.780 20 5 ECBDRO CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCC[NH3+] ZINC000428785552 210283817 /nfs/dbraw/zinc/28/38/17/210283817.db2.gz VCQHIXFFCQQONZ-MRVPVSSYSA-N 1 0 330.366 0.114 20 5 ECBDRO C[C@H]1CN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000418873516 208890766 /nfs/dbraw/zinc/89/07/66/208890766.db2.gz UBEIXKBGFRIDMO-RYUDHWBXSA-N 1 0 334.376 0.462 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418952093 208923120 /nfs/dbraw/zinc/92/31/20/208923120.db2.gz VAWMPUJZGYNAKQ-LBPRGKRZSA-N 1 0 336.348 0.073 20 5 ECBDRO C[C@H](NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000419156430 209004845 /nfs/dbraw/zinc/00/48/45/209004845.db2.gz VCTXILDUCFSMBA-ZBEGNZNMSA-N 1 0 334.376 0.969 20 5 ECBDRO CN(C)C(=O)OC1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000495794704 255044044 /nfs/dbraw/zinc/04/40/44/255044044.db2.gz UTCGSCCVQQPIIU-GFCCVEGCSA-N 1 0 341.368 0.315 20 5 ECBDRO CC(C)(C)OC(=O)NCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000496397315 255096405 /nfs/dbraw/zinc/09/64/05/255096405.db2.gz GTJHGZNSPGXTON-NSHDSACASA-N 1 0 329.357 0.267 20 5 ECBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000419281059 209049408 /nfs/dbraw/zinc/04/94/08/209049408.db2.gz XOAACWFUVFPRAY-VXGBXAGGSA-N 1 0 334.376 0.901 20 5 ECBDRO [NH3+][C@@H]1CCCN(C(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000419363548 209070186 /nfs/dbraw/zinc/07/01/86/209070186.db2.gz ZCSSKAOSQPLMSU-CQSZACIVSA-N 1 0 348.403 0.983 20 5 ECBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000180942019 533398091 /nfs/dbraw/zinc/39/80/91/533398091.db2.gz QOYGLPDWGNCLIR-VXGBXAGGSA-N 1 0 343.405 0.888 20 5 ECBDRO COC(=O)c1cnc(NCC2CC[NH+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000357701768 299616698 /nfs/dbraw/zinc/61/66/98/299616698.db2.gz XNULVPSYNFRBCP-UHFFFAOYSA-N 1 0 338.364 0.893 20 5 ECBDRO CC[NH2+][C@H](C)CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000262438812 285614635 /nfs/dbraw/zinc/61/46/35/285614635.db2.gz HAUFSDFNXJCUAI-SNVBAGLBSA-N 1 0 336.348 0.434 20 5 ECBDRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000261653361 165220899 /nfs/dbraw/zinc/22/08/99/165220899.db2.gz FQLZZDWWJYINJK-UHFFFAOYSA-N 1 0 340.767 0.752 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000261834728 165249210 /nfs/dbraw/zinc/24/92/10/165249210.db2.gz IGCAGWNMUYCHTE-ZDUSSCGKSA-N 1 0 340.405 0.263 20 5 ECBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000261871037 165255559 /nfs/dbraw/zinc/25/55/59/165255559.db2.gz SGUPEAIGEJESPM-GHMZBOCLSA-N 1 0 330.348 0.985 20 5 ECBDRO [NH3+][C@@H](CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000261912365 165261352 /nfs/dbraw/zinc/26/13/52/165261352.db2.gz GZKFYLJSHHFLHE-ZDUSSCGKSA-N 1 0 335.364 0.248 20 5 ECBDRO C[C@]1(C[NH3+])CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000261989355 165272317 /nfs/dbraw/zinc/27/23/17/165272317.db2.gz MQMFOIRGMASGOR-OAHLLOKOSA-N 1 0 330.348 0.986 20 5 ECBDRO COc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000262141075 165297759 /nfs/dbraw/zinc/29/77/59/165297759.db2.gz MIZKZSJNOIBBFA-UWVGGRQHSA-N 1 0 329.378 0.961 20 5 ECBDRO COC[C@]1(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CCC[NH2+]1 ZINC000262298009 165326222 /nfs/dbraw/zinc/32/62/22/165326222.db2.gz NPFMLTXLXNTCKY-CQSZACIVSA-N 1 0 343.405 0.950 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000262321126 165328808 /nfs/dbraw/zinc/32/88/08/165328808.db2.gz RBEOFWJQMNLZJX-NXEZZACHSA-N 1 0 329.378 0.961 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000262541299 165360653 /nfs/dbraw/zinc/36/06/53/165360653.db2.gz RDIBCMNHZIIJFP-NSHDSACASA-N 1 0 329.378 0.961 20 5 ECBDRO O=[N+]([O-])c1cnc2ccc(N3CC[NH+](C[C@H]4CCOC4)CC3)nn21 ZINC000301977211 296893925 /nfs/dbraw/zinc/89/39/25/296893925.db2.gz WLNORWLQVCXNCJ-GFCCVEGCSA-N 1 0 332.364 0.796 20 5 ECBDRO O=C(CN1C[C@H]2C[NH2+]C[C@@H]2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000359294316 299835209 /nfs/dbraw/zinc/83/52/09/299835209.db2.gz BOKNVORCXKHLKQ-NXEZZACHSA-N 1 0 334.332 0.413 20 5 ECBDRO C[C@H](O)C[NH+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000189391597 263163094 /nfs/dbraw/zinc/16/30/94/263163094.db2.gz QIOVVBFXLFLDTH-ZDUSSCGKSA-N 1 0 336.392 0.922 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000195455968 263170914 /nfs/dbraw/zinc/17/09/14/263170914.db2.gz CFWQWFTWQOLFMQ-UHFFFAOYSA-N 1 0 338.412 0.196 20 5 ECBDRO CCc1n[nH]c(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000267066066 263179932 /nfs/dbraw/zinc/17/99/32/263179932.db2.gz ANKMLVYJECHALV-LLVKDONJSA-N 1 0 338.412 0.494 20 5 ECBDRO Cc1c(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000269908110 263212325 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336.348 0.237 20 5 ECBDRO CCCNC(=O)[C@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075676433 436173110 /nfs/dbraw/zinc/17/31/10/436173110.db2.gz GVEBHSPSVGEKNH-JSGCOSHPSA-N 1 0 339.396 0.390 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC1CC([NH+]2CCCCC2)C1 ZINC000376589786 301274519 /nfs/dbraw/zinc/27/45/19/301274519.db2.gz KDTNJSWNZZFTNF-UHFFFAOYSA-N 1 0 334.376 0.890 20 5 ECBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000028016213 436186788 /nfs/dbraw/zinc/18/67/88/436186788.db2.gz VOIUBHXYJPUSQS-LBPRGKRZSA-N 1 0 338.364 0.370 20 5 ECBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000076269563 436196441 /nfs/dbraw/zinc/19/64/41/436196441.db2.gz ZDSPHXYKYWJNQL-BETUJISGSA-N 1 0 349.439 0.962 20 5 ECBDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC000514647502 301611016 /nfs/dbraw/zinc/61/10/16/301611016.db2.gz LSECJNFITNAQRP-CHWSQXEVSA-N 1 0 337.380 0.816 20 5 ECBDRO O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000516970733 301689291 /nfs/dbraw/zinc/68/92/91/301689291.db2.gz BNAQWPVDGQIUKU-YGRLFVJLSA-N 1 0 335.364 0.300 20 5 ECBDRO CN(C)C[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000517833751 301712925 /nfs/dbraw/zinc/71/29/25/301712925.db2.gz KHRZOROLJYOBHU-NVXWUHKLSA-N 1 0 347.419 0.915 20 5 ECBDRO CCC[N@@H+](CC(=O)NC)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000056508989 436592631 /nfs/dbraw/zinc/59/26/31/436592631.db2.gz GDCQSVLHSATCAQ-CYBMUJFWSA-N 1 0 325.365 0.793 20 5 ECBDRO CC[NH+]1CCN([C@@H]2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C2)CC1 ZINC000106478831 436596216 /nfs/dbraw/zinc/59/62/16/436596216.db2.gz YAPQRNNJDJBLBC-CQSZACIVSA-N 1 0 347.419 0.910 20 5 ECBDRO CN1CC[NH+](CCCCNC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000541906727 302193792 /nfs/dbraw/zinc/19/37/92/302193792.db2.gz FXJLEMSNMUMPFK-UHFFFAOYSA-N 1 0 336.396 0.561 20 5 ECBDRO CC1CC[NH+](C[C@@H](O)CNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000116448353 436650147 /nfs/dbraw/zinc/65/01/47/436650147.db2.gz ZHYDSAPYFHKTON-AWEZNQCLSA-N 1 0 339.396 0.390 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000116451257 436650530 /nfs/dbraw/zinc/65/05/30/436650530.db2.gz HKGNVKKJXYYZNO-ZDUSSCGKSA-N 1 0 339.396 0.309 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000139186044 436664773 /nfs/dbraw/zinc/66/47/73/436664773.db2.gz IWRYNAIPAONENM-SMDDNHRTSA-N 1 0 334.376 0.924 20 5 ECBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000237254825 436729862 /nfs/dbraw/zinc/72/98/62/436729862.db2.gz NDHDCOVLAMCDIL-LLVKDONJSA-N 1 0 341.389 0.822 20 5 ECBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000152924141 436743463 /nfs/dbraw/zinc/74/34/63/436743463.db2.gz OOSDTTYYOCRBDG-INIZCTEOSA-N 1 0 347.375 0.823 20 5 ECBDRO COC(=O)CN(C)C(=O)CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153128874 436749053 /nfs/dbraw/zinc/74/90/53/436749053.db2.gz 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C[N@@H+]1CC[C@H]2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000368594794 438352798 /nfs/dbraw/zinc/35/27/98/438352798.db2.gz XLNWTCBSQZWYRE-WFASDCNBSA-N 1 0 346.387 0.877 20 5 ECBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419959702 438379795 /nfs/dbraw/zinc/37/97/95/438379795.db2.gz XIGJXTJOWBDITL-CYBMUJFWSA-N 1 0 334.376 0.812 20 5 ECBDRO C[NH2+][C@@H](C)CNS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000420434996 438407246 /nfs/dbraw/zinc/40/72/46/438407246.db2.gz RYJGAKLJQJECFP-QMMMGPOBSA-N 1 0 331.350 0.268 20 5 ECBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H]2C[NH2+]CCN2C)c1 ZINC000420453353 438408935 /nfs/dbraw/zinc/40/89/35/438408935.db2.gz JYRQWRCHGZDFMB-LBPRGKRZSA-N 1 0 342.421 0.394 20 5 ECBDRO COc1cc(C[NH2+][C@H]2CCc3nnnn3CC2)c([N+](=O)[O-])cc1O ZINC000421393890 438485869 /nfs/dbraw/zinc/48/58/69/438485869.db2.gz FJKORAMTFDVLRY-JTQLQIEISA-N 1 0 334.336 0.790 20 5 ECBDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3c([N+](=O)[O-])cnn3C)CC2)CCO1 ZINC000408053027 438500518 /nfs/dbraw/zinc/50/05/18/438500518.db2.gz NIEMDACBPUKHII-LLVKDONJSA-N 1 0 337.380 0.654 20 5 ECBDRO COC(=O)COc1ccc(C[NH2+]CCn2cncn2)cc1[N+](=O)[O-] ZINC000353754317 438531518 /nfs/dbraw/zinc/53/15/18/438531518.db2.gz ARSSHMMAWARMFX-UHFFFAOYSA-N 1 0 335.320 0.528 20 5 ECBDRO CCC(=O)N[C@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000441526569 438587239 /nfs/dbraw/zinc/58/72/39/438587239.db2.gz QWNSHBFWQPSSLR-WCQYABFASA-N 1 0 325.369 0.143 20 5 ECBDRO COc1cc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)ccc1[N+](=O)[O-] ZINC000370173828 438556770 /nfs/dbraw/zinc/55/67/70/438556770.db2.gz OSWXZTPJAZAXJJ-PWSUYJOCSA-N 1 0 341.389 0.976 20 5 ECBDRO C[C@H]1CC[NH2+]C[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423031028 438630811 /nfs/dbraw/zinc/63/08/11/438630811.db2.gz CRMFQPCSSPBKAW-SMDDNHRTSA-N 1 0 327.406 0.956 20 5 ECBDRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000423311229 438659729 /nfs/dbraw/zinc/65/97/29/438659729.db2.gz TTYDRFUOFLUGJB-UHFFFAOYSA-N 1 0 348.403 0.923 20 5 ECBDRO COCC[N@H+](C)C[C@@H](O)Cn1cnc2sc([N+](=O)[O-])cc2c1=O ZINC000574771780 438720242 /nfs/dbraw/zinc/72/02/42/438720242.db2.gz WKVBODMFBVDIKU-SECBINFHSA-N 1 0 342.377 0.305 20 5 ECBDRO C[NH+](C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1O ZINC000575136139 438739628 /nfs/dbraw/zinc/73/96/28/438739628.db2.gz VPSLCTMSOQOWAQ-QWRGUYRKSA-N 1 0 345.302 0.943 20 5 ECBDRO Cn1cc([C@H](CO)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000494806779 438709024 /nfs/dbraw/zinc/70/90/24/438709024.db2.gz FPEOTXHNFFZTCB-AWEZNQCLSA-N 1 0 333.348 0.980 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000451757785 438712752 /nfs/dbraw/zinc/71/27/52/438712752.db2.gz JVOJPCULPOWJAJ-TZMCWYRMSA-N 1 0 339.348 0.624 20 5 ECBDRO Cn1c2cc(NC[C@](C)(O)C[NH+](C)C)c([N+](=O)[O-])cc2n(C)c1=O ZINC000588005704 438814017 /nfs/dbraw/zinc/81/40/17/438814017.db2.gz VMAZJLBRECUTIJ-HNNXBMFYSA-N 1 0 337.380 0.510 20 5 ECBDRO O=C1CC[C@H]([NH+]2CCN(c3ncc(F)cc3[N+](=O)[O-])CC2)CCN1 ZINC000601170569 438826386 /nfs/dbraw/zinc/82/63/86/438826386.db2.gz BBLBBLHPSWJSIF-LBPRGKRZSA-N 1 0 337.355 0.920 20 5 ECBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588860109 438844764 /nfs/dbraw/zinc/84/47/64/438844764.db2.gz DMOOYPYFYOUJDT-VXGBXAGGSA-N 1 0 345.359 0.752 20 5 ECBDRO CCCc1[nH]nc(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)c1[N+](=O)[O-] ZINC000588861923 438845268 /nfs/dbraw/zinc/84/52/68/438845268.db2.gz YNWXNFAVEHXEEL-QWRGUYRKSA-N 1 0 337.380 0.552 20 5 ECBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1COCCO1 ZINC000595744031 438854188 /nfs/dbraw/zinc/85/41/88/438854188.db2.gz UNXBMTJKZSYDGP-UKRRQHHQSA-N 1 0 326.349 0.682 20 5 ECBDRO Cc1c(CC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)cccc1[N+](=O)[O-] ZINC000595949867 438896872 /nfs/dbraw/zinc/89/68/72/438896872.db2.gz ZKCUGLXKMBMKLE-UHFFFAOYSA-N 1 0 331.332 0.716 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC(CO)(CO)C1 ZINC000595804756 438864324 /nfs/dbraw/zinc/86/43/24/438864324.db2.gz CYDNOGZZNSGXHK-GFCCVEGCSA-N 1 0 326.349 0.011 20 5 ECBDRO CC(C)NC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595851213 438870377 /nfs/dbraw/zinc/87/03/77/438870377.db2.gz POUKIECFXJKBEJ-TZMCWYRMSA-N 1 0 339.396 0.389 20 5 ECBDRO CN1C(=O)CC[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000564855609 438878087 /nfs/dbraw/zinc/87/80/87/438878087.db2.gz CYFIDUPTYJOQOK-DGCLKSJQSA-N 1 0 337.332 0.072 20 5 ECBDRO O=[N+]([O-])c1ccccc1CC[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000564856123 438878502 /nfs/dbraw/zinc/87/85/02/438878502.db2.gz VRXUAILWZKMFAC-UHFFFAOYSA-N 1 0 328.390 0.667 20 5 ECBDRO C[NH+](C)CCn1cc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)cn1 ZINC000601410801 438880392 /nfs/dbraw/zinc/88/03/92/438880392.db2.gz JZLVTRMXPRXLDZ-UHFFFAOYSA-N 1 0 344.375 0.946 20 5 ECBDRO [NH3+]C[C@H]1CCCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000564947375 438893228 /nfs/dbraw/zinc/89/32/28/438893228.db2.gz MMXPQGUOWZLTQE-LLVKDONJSA-N 1 0 330.348 0.986 20 5 ECBDRO CN1CC[NH+](CC2CN(C(=O)COc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000590399982 438917861 /nfs/dbraw/zinc/91/78/61/438917861.db2.gz NXSNXQAQQOBSIU-UHFFFAOYSA-N 1 0 348.403 0.679 20 5 ECBDRO Cc1noc(CN2C(=O)N[C@@]3(CCCC[C@H]3C[NH3+])C2=O)c1[N+](=O)[O-] ZINC000596071909 438922410 /nfs/dbraw/zinc/92/24/10/438922410.db2.gz VVVZHRVYEMNRNT-LKFCYVNXSA-N 1 0 337.336 0.831 20 5 ECBDRO CC[NH+]1CCN(CCNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000596073315 438923267 /nfs/dbraw/zinc/92/32/67/438923267.db2.gz JWXSPXOKCLGIJZ-UHFFFAOYSA-N 1 0 346.391 1.293 20 5 ECBDRO NC(=O)[C@H]1CC[C@@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])O1 ZINC000565359370 438943962 /nfs/dbraw/zinc/94/39/62/438943962.db2.gz VBWLWKSBYJGCPP-GXFFZTMASA-N 1 0 336.348 0.546 20 5 ECBDRO C[N@H+](CCCO)C1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596130260 438931584 /nfs/dbraw/zinc/93/15/84/438931584.db2.gz ZOJPPGBUYRAMEI-UHFFFAOYSA-N 1 0 336.392 0.977 20 5 ECBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596202176 438940786 /nfs/dbraw/zinc/94/07/86/438940786.db2.gz QRHJITLNTOCPTO-LLVKDONJSA-N 1 0 336.392 0.975 20 5 ECBDRO CC(C)[N@H+](C)C[C@H](O)COc1ccc([N+](=O)[O-])cc1-n1cnnn1 ZINC000565489947 438955890 /nfs/dbraw/zinc/95/58/90/438955890.db2.gz FCOCXVJVLFYICP-LBPRGKRZSA-N 1 0 336.352 0.650 20 5 ECBDRO C[C@@H]1NC(=O)N(CC[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000459380579 438962996 /nfs/dbraw/zinc/96/29/96/438962996.db2.gz QKLWICGCVRZIRV-QWRGUYRKSA-N 1 0 348.363 0.416 20 5 ECBDRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000565707805 438972950 /nfs/dbraw/zinc/97/29/50/438972950.db2.gz SXKLPRYXNDCLSQ-NSHDSACASA-N 1 0 334.376 0.451 20 5 ECBDRO CCNC(=O)C(C)(C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000459584286 438978206 /nfs/dbraw/zinc/97/82/06/438978206.db2.gz IKOROHILGUGUGX-LLVKDONJSA-N 1 0 325.365 0.839 20 5 ECBDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000596816005 439003376 /nfs/dbraw/zinc/00/33/76/439003376.db2.gz DHLREKCBDDVDBF-LBPRGKRZSA-N 1 0 338.412 0.805 20 5 ECBDRO CN1CC[NH2+]C[C@H]1CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000591684185 439060099 /nfs/dbraw/zinc/06/00/99/439060099.db2.gz GGVNFBRUCNVZFK-ZDUSSCGKSA-N 1 0 344.375 0.414 20 5 ECBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000580074814 439060740 /nfs/dbraw/zinc/06/07/40/439060740.db2.gz IVALCGZFTCRSBN-CYBMUJFWSA-N 1 0 326.378 0.754 20 5 ECBDRO CN(CCC[NH3+])C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000591679347 439061000 /nfs/dbraw/zinc/06/10/00/439061000.db2.gz RESCTHLNTBUDRO-UHFFFAOYSA-N 1 0 326.378 0.593 20 5 ECBDRO C[C@@H]1CN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC[C@@H]1[NH3+] ZINC000591578167 439022869 /nfs/dbraw/zinc/02/28/69/439022869.db2.gz HMYKPNIMJSUBSJ-RISCZKNCSA-N 1 0 346.387 0.675 20 5 ECBDRO CNc1nccc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)c1[N+](=O)[O-] ZINC000566982138 439103160 /nfs/dbraw/zinc/10/31/60/439103160.db2.gz CTXXWZKZMCDQHH-AWEZNQCLSA-N 1 0 339.421 1.199 20 5 ECBDRO [NH3+]CCC1CCN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000580561157 439104595 /nfs/dbraw/zinc/10/45/95/439104595.db2.gz NKZCTXXRFGLBFB-UHFFFAOYSA-N 1 0 348.403 0.841 20 5 ECBDRO CO[C@]1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCOC1 ZINC000580184374 439069734 /nfs/dbraw/zinc/06/97/34/439069734.db2.gz XJEUZGHOIZNIIL-WFASDCNBSA-N 1 0 326.349 0.730 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2nnc3n2CCC3)c1 ZINC000591727810 439077476 /nfs/dbraw/zinc/07/74/76/439077476.db2.gz VFOJILWYYHEMJU-CYBMUJFWSA-N 1 0 347.375 0.705 20 5 ECBDRO O=c1[nH]c2c(cc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000591739609 439077951 /nfs/dbraw/zinc/07/79/51/439077951.db2.gz OVXNZCLXXXCMOU-CYBMUJFWSA-N 1 0 333.348 0.531 20 5 ECBDRO CN1C[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000591743562 439081119 /nfs/dbraw/zinc/08/11/19/439081119.db2.gz HLSRUJHNAJYJMX-LLVKDONJSA-N 1 0 341.389 0.579 20 5 ECBDRO Cc1cn2c(n1)[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000591757161 439082120 /nfs/dbraw/zinc/08/21/20/439082120.db2.gz MONQHSVGGUORPC-OCCSQVGLSA-N 1 0 334.380 0.824 20 5 ECBDRO CO[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000591769530 439082209 /nfs/dbraw/zinc/08/22/09/439082209.db2.gz MNJPHLXUCVAINR-HZPDHXFCSA-N 1 0 334.376 1.000 20 5 ECBDRO COc1ccc([C@H](C[NH3+])Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)cc1 ZINC000592158453 439169200 /nfs/dbraw/zinc/16/92/00/439169200.db2.gz CKPBLHXMLYVZRB-LLVKDONJSA-N 1 0 346.343 0.607 20 5 ECBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000602819125 439140511 /nfs/dbraw/zinc/14/05/11/439140511.db2.gz ZBUPOSWERKLXDP-LBPRGKRZSA-N 1 0 325.413 0.877 20 5 ECBDRO COC(=O)[C@@H]1CSCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602845779 439142651 /nfs/dbraw/zinc/14/26/51/439142651.db2.gz LRGUKIKKUQKCNJ-NSHDSACASA-N 1 0 328.394 0.938 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H](CO)[C@H]1CCOC1 ZINC000592432149 439225945 /nfs/dbraw/zinc/22/59/45/439225945.db2.gz GEMNKUNSNLSXDQ-BFHYXJOUSA-N 1 0 340.376 0.569 20 5 ECBDRO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000592184947 439174295 /nfs/dbraw/zinc/17/42/95/439174295.db2.gz MWWVPXLRKFUWCC-NSHDSACASA-N 1 0 335.286 0.792 20 5 ECBDRO C[NH+]1CCC2(CC1)CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CCO2 ZINC000592184740 439174481 /nfs/dbraw/zinc/17/44/81/439174481.db2.gz OLYNLZGJNPKMEW-UHFFFAOYSA-N 1 0 348.403 0.990 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H](O)[C@H]2CCOC2)cc1 ZINC000592431079 439226964 /nfs/dbraw/zinc/22/69/64/439226964.db2.gz LCZIUNLWOGWNFB-SMDDNHRTSA-N 1 0 344.389 0.356 20 5 ECBDRO COc1cc(OCC(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000592310833 439199950 /nfs/dbraw/zinc/19/99/50/439199950.db2.gz YXEFRUNOMFDUQD-IINYFYTJSA-N 1 0 339.348 0.557 20 5 ECBDRO CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NC[C@@H](C)[NH3+] ZINC000592333083 439206801 /nfs/dbraw/zinc/20/68/01/439206801.db2.gz HNTVHZKBZCMOAE-RKDXNWHRSA-N 1 0 344.393 0.503 20 5 ECBDRO COc1ccc(Cn2cc(CN3CC[NH+](C)CC3)nn2)cc1[N+](=O)[O-] ZINC000603206023 439210097 /nfs/dbraw/zinc/21/00/97/439210097.db2.gz OKIIAAOGTXOQAI-UHFFFAOYSA-N 1 0 346.391 0.991 20 5 ECBDRO Cn1nccc1[C@H](CO)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000592432289 439227789 /nfs/dbraw/zinc/22/77/89/439227789.db2.gz BSANRQWAEDXXJF-OCCSQVGLSA-N 1 0 336.348 0.391 20 5 ECBDRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000581602004 439233691 /nfs/dbraw/zinc/23/36/91/439233691.db2.gz LNMIDUQDFHPRHB-GFCCVEGCSA-N 1 0 332.360 0.429 20 5 ECBDRO C[C@H]([NH3+])[C@@H]1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592475945 439237043 /nfs/dbraw/zinc/23/70/43/439237043.db2.gz WZEZDGIDGOAKFU-FZMZJTMJSA-N 1 0 343.405 0.417 20 5 ECBDRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000592549184 439248367 /nfs/dbraw/zinc/24/83/67/439248367.db2.gz MGFDMXPSOFLJCZ-CYBMUJFWSA-N 1 0 337.332 0.337 20 5 ECBDRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000592555827 439252242 /nfs/dbraw/zinc/25/22/42/439252242.db2.gz QFAJIDBVZXHWBY-CQSZACIVSA-N 1 0 335.360 0.891 20 5 ECBDRO CC1CC[NH+](C[C@@H](O)CNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000581893057 439263010 /nfs/dbraw/zinc/26/30/10/439263010.db2.gz GBRRLKNPQDCVSW-NSHDSACASA-N 1 0 337.380 0.395 20 5 ECBDRO Cc1ccccc1C[C@H](CO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000581943703 439270249 /nfs/dbraw/zinc/27/02/49/439270249.db2.gz SPPYJDCRZQSDTI-ZBFHGGJFSA-N 1 0 334.376 0.654 20 5 ECBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NC2C[NH2+]C2)c1 ZINC000582419817 439331771 /nfs/dbraw/zinc/33/17/71/439331771.db2.gz JBVOLZJIRVZTRC-UHFFFAOYSA-N 1 0 336.167 0.607 20 5 ECBDRO C[NH2+][C@@H]1CCCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598661226 439298731 /nfs/dbraw/zinc/29/87/31/439298731.db2.gz DVXWJJUQPSNLPI-GFCCVEGCSA-N 1 0 335.364 0.927 20 5 ECBDRO C[C@H]1C[C@@H](NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000598663893 439298756 /nfs/dbraw/zinc/29/87/56/439298756.db2.gz BITYEFZHKBBFGR-JQWIXIFHSA-N 1 0 335.364 0.973 20 5 ECBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598665263 439299397 /nfs/dbraw/zinc/29/93/97/439299397.db2.gz OHDQESOWRCZPHP-GWCFXTLKSA-N 1 0 335.364 0.973 20 5 ECBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC(C[NH+]3CCN(C)CC3)C2)n1 ZINC000599109327 439359596 /nfs/dbraw/zinc/35/95/96/439359596.db2.gz UBBIISWSEDNWJI-UHFFFAOYSA-N 1 0 349.391 0.460 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@]3(CC[NH2+]C3)C2)n1 ZINC000599109872 439361661 /nfs/dbraw/zinc/36/16/61/439361661.db2.gz ZIBYNADWACVULM-GFCCVEGCSA-N 1 0 329.382 0.093 20 5 ECBDRO [NH3+]CCCOCCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000599110500 439362192 /nfs/dbraw/zinc/36/21/92/439362192.db2.gz UXGUXXXVQUHVKD-UHFFFAOYSA-N 1 0 331.394 0.422 20 5 ECBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CC[C@@H](O)C1 ZINC000599085261 439353363 /nfs/dbraw/zinc/35/33/63/439353363.db2.gz OBFHOAJNLVSYFW-SWLSCSKDSA-N 1 0 336.392 0.968 20 5 ECBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593234067 439355637 /nfs/dbraw/zinc/35/56/37/439355637.db2.gz CTVWKGMYBIJZIR-UHFFFAOYSA-N 1 0 334.376 0.749 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N(C2CC2)C2CC[NH2+]CC2)n1 ZINC000599096926 439355971 /nfs/dbraw/zinc/35/59/71/439355971.db2.gz BJYVGLMMZASJBR-UHFFFAOYSA-N 1 0 329.382 0.233 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1 ZINC000599099662 439356813 /nfs/dbraw/zinc/35/68/13/439356813.db2.gz IQFFPUMQUHBPLH-CABZTGNLSA-N 1 0 329.382 0.078 20 5 ECBDRO Cc1cc(C)c(S(=O)(=O)NCC2([NH3+])CCOCC2)cc1[N+](=O)[O-] ZINC000599102639 439356994 /nfs/dbraw/zinc/35/69/94/439356994.db2.gz NPLMPFCWLXLPNC-UHFFFAOYSA-N 1 0 343.405 0.998 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1(C[NH3+])CCOCC1 ZINC000599104363 439358522 /nfs/dbraw/zinc/35/85/22/439358522.db2.gz TZLFAJXTYITGMI-UHFFFAOYSA-N 1 0 345.377 0.390 20 5 ECBDRO COCC[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C(C)(C)C1 ZINC000593337944 439369419 /nfs/dbraw/zinc/36/94/19/439369419.db2.gz HEQADTRZABLBTP-UHFFFAOYSA-N 1 0 339.396 0.669 20 5 ECBDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599251263 439402231 /nfs/dbraw/zinc/40/22/31/439402231.db2.gz DAHQBHNLEILFKK-SNVBAGLBSA-N 1 0 331.398 0.433 20 5 ECBDRO Cc1cc(S(=O)(=O)N2CCN(C)C[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000570519515 439428725 /nfs/dbraw/zinc/42/87/25/439428725.db2.gz GQUAPUNFYMVRAL-NSHDSACASA-N 1 0 328.394 0.167 20 5 ECBDRO COC(=O)c1ccc(C[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)nc1 ZINC000599442776 439471076 /nfs/dbraw/zinc/47/10/76/439471076.db2.gz AWCOTSUMRRZQII-AWEZNQCLSA-N 1 0 349.347 0.466 20 5 ECBDRO CN1CCC[C@H]([NH2+][C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000593921158 439496792 /nfs/dbraw/zinc/49/67/92/439496792.db2.gz PWVICHPXKDHBRN-SMDDNHRTSA-N 1 0 332.360 0.911 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594025181 439508456 /nfs/dbraw/zinc/50/84/56/439508456.db2.gz CQENTZLCXCCGDD-MJBXVCDLSA-N 1 0 337.376 0.085 20 5 ECBDRO O=C(CCN1CC[N@@H+]2C[C@H](O)C[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000594027525 439508500 /nfs/dbraw/zinc/50/85/00/439508500.db2.gz QJVUPRHPYBQAQE-QWHCGFSZSA-N 1 0 334.376 0.674 20 5 ECBDRO COc1cc(C(=O)N2CCCO[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1OC ZINC000571679791 439523371 /nfs/dbraw/zinc/52/33/71/439523371.db2.gz VTTNVVCOQBLQIH-NSHDSACASA-N 1 0 339.348 0.802 20 5 ECBDRO CC(C)[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCOCC1 ZINC000583910309 439525985 /nfs/dbraw/zinc/52/59/85/439525985.db2.gz HJDGOZJLRRYIMY-HUUCEWRRSA-N 1 0 341.412 0.099 20 5 ECBDRO CN(C)c1nccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000584168199 439558121 /nfs/dbraw/zinc/55/81/21/439558121.db2.gz WGROKKDQLAEBJX-AWEZNQCLSA-N 1 0 347.375 0.980 20 5 ECBDRO C[NH2+]CCOCCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599897977 439571808 /nfs/dbraw/zinc/57/18/08/439571808.db2.gz YENRIGAYBDFNDM-UHFFFAOYSA-N 1 0 344.755 0.539 20 5 ECBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000599938025 439578805 /nfs/dbraw/zinc/57/88/05/439578805.db2.gz KOYNKXOLQKJXCX-CHWSQXEVSA-N 1 0 335.360 0.641 20 5 ECBDRO CN1C[C@H]([N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCC1=O ZINC000572682259 439600682 /nfs/dbraw/zinc/60/06/82/439600682.db2.gz KGEJNYFHOSCEPG-CHWSQXEVSA-N 1 0 337.376 0.887 20 5 ECBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594761357 439604445 /nfs/dbraw/zinc/60/44/45/439604445.db2.gz XIINUXWWRYCGQO-GHMZBOCLSA-N 1 0 328.394 0.951 20 5 ECBDRO COc1cc(OCC(=O)N2CCN(C)C[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000572760142 439608387 /nfs/dbraw/zinc/60/83/87/439608387.db2.gz IMUSURZIMLPKNB-LLVKDONJSA-N 1 0 338.364 0.084 20 5 ECBDRO COC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000584715413 439609339 /nfs/dbraw/zinc/60/93/39/439609339.db2.gz SFGLICOEMZKYHA-GDBMZVCRSA-N 1 0 334.376 1.000 20 5 ECBDRO O=C(N1CCCC1)[C@]1(O)CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000585803831 439654817 /nfs/dbraw/zinc/65/48/17/439654817.db2.gz DTOQBZPEWSYWOZ-HNNXBMFYSA-N 1 0 337.380 0.241 20 5 ECBDRO C[C@@H]1[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCS1(=O)=O ZINC000600756639 439699321 /nfs/dbraw/zinc/69/93/21/439699321.db2.gz NJCMIUSEAMJWMQ-IJLUTSLNSA-N 1 0 344.389 0.500 20 5 ECBDRO CN1CCOC[C@@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000600763305 439700239 /nfs/dbraw/zinc/70/02/39/439700239.db2.gz TZXKJUFNXFGEKP-KBPBESRZSA-N 1 0 325.365 0.255 20 5 ECBDRO CN1CCOC[C@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000600757800 439700766 /nfs/dbraw/zinc/70/07/66/439700766.db2.gz SYGYJJYJYXLTID-CYBMUJFWSA-N 1 0 343.405 0.289 20 5 ECBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCC[N@H+]1CC[C@H](O)C1 ZINC000600808766 439705604 /nfs/dbraw/zinc/70/56/04/439705604.db2.gz PWAXRLBJILGVOW-ZDUSSCGKSA-N 1 0 332.360 0.801 20 5 ECBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@@H]2CNC(=O)C2)CC1 ZINC000595377124 439717224 /nfs/dbraw/zinc/71/72/24/439717224.db2.gz ODIAVFNALKQDGX-LBPRGKRZSA-N 1 0 332.360 0.489 20 5 ECBDRO Cc1noc(CN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC000595399319 439721796 /nfs/dbraw/zinc/72/17/96/439721796.db2.gz ZGQGKYUWBMKEMU-GFCCVEGCSA-N 1 0 337.380 0.805 20 5 ECBDRO O=C(NCC12CC(C1)C[NH2+]2)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000595274361 439688818 /nfs/dbraw/zinc/68/88/18/439688818.db2.gz WSIWBDJGHFAKNA-UHFFFAOYSA-N 1 0 346.391 0.573 20 5 ECBDRO C[C@]1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)COc2ccccc2O1 ZINC000600743458 439697158 /nfs/dbraw/zinc/69/71/58/439697158.db2.gz CFJBGKQLTKLNSJ-BBRMVZONSA-N 1 0 348.359 0.972 20 5 ECBDRO CC1(C)CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000614920865 439790278 /nfs/dbraw/zinc/79/02/78/439790278.db2.gz VKDGINQNRXYRLW-UHFFFAOYSA-N 1 0 336.392 0.922 20 5 ECBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC[NH+]2CCC(OC)CC2)n1 ZINC000617408577 439877467 /nfs/dbraw/zinc/87/74/67/439877467.db2.gz FTLOVIXMGNQKBC-UHFFFAOYSA-N 1 0 325.369 0.652 20 5 ECBDRO COC1(CO)CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000618551338 440132364 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O=C(NC1CC[NH+](CCNC(=O)C2CCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001055489535 768925486 /nfs/dbraw/zinc/92/54/86/768925486.db2.gz GWSSYYAOZJVZLP-ZIAGYGMSSA-N 1 0 338.408 0.149 20 5 ECBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc3nonc3c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020140118 772208330 /nfs/dbraw/zinc/20/83/30/772208330.db2.gz ZLUZYXMWDLQCCG-ZHSDAYTOSA-N 1 0 331.332 0.625 20 5 ECBDRO CN(C(=O)C[NH+]1CCCC1)C1CN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001044298679 776090187 /nfs/dbraw/zinc/09/01/87/776090187.db2.gz WGPVNVWZNWIOPL-UHFFFAOYSA-N 1 0 336.396 0.067 20 5 ECBDRO CCCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001070963256 784241884 /nfs/dbraw/zinc/24/18/84/784241884.db2.gz JILQYBWGYCIFOZ-CHWSQXEVSA-N 1 0 326.397 0.102 20 5 ECBDRO CN(CCCN(C)C(=O)C1(C[NH+](C)C)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001067388977 793076130 /nfs/dbraw/zinc/07/61/30/793076130.db2.gz NYHJSGPNYOZVCO-CHWSQXEVSA-N 1 0 340.424 0.300 20 5 ECBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1c([N+](=O)[O-])cnn1C 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MUSXHPOAVJXYAA-CYBMUJFWSA-N 1 0 337.332 0.490 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)NC[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000422769532 209661139 /nfs/dbraw/zinc/66/11/39/209661139.db2.gz VALLVVHTOAMXKF-GFCCVEGCSA-N 1 0 334.376 0.749 20 5 ECBDRO [NH3+]C[C@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCCO1 ZINC000420398967 209360583 /nfs/dbraw/zinc/36/05/83/209360583.db2.gz ZMYWKYAHNJCZRJ-GJZGRUSLSA-N 1 0 334.376 0.750 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000420309821 209351551 /nfs/dbraw/zinc/35/15/51/209351551.db2.gz FUBZXFHYADKTRP-QWHCGFSZSA-N 1 0 339.417 0.910 20 5 ECBDRO CN1CC[NH2+]C[C@H]1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000420262497 209346674 /nfs/dbraw/zinc/34/66/74/209346674.db2.gz ANILLQAURPQRMW-ZDUSSCGKSA-N 1 0 333.392 0.803 20 5 ECBDRO [NH3+][C@H]1Cc2ccccc2N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000424074646 283645334 /nfs/dbraw/zinc/64/53/34/283645334.db2.gz KESKXIKHMFTRTH-LBPRGKRZSA-N 1 0 328.328 0.673 20 5 ECBDRO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000419867301 209231485 /nfs/dbraw/zinc/23/14/85/209231485.db2.gz BOCLRJPATIXDCA-GFCCVEGCSA-N 1 0 332.360 0.564 20 5 ECBDRO [NH3+][C@H](CNC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000419859450 209228524 /nfs/dbraw/zinc/22/85/24/209228524.db2.gz JLKCAOWHFZVMJN-CQSZACIVSA-N 1 0 346.387 0.939 20 5 ECBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000193572783 240217423 /nfs/dbraw/zinc/21/74/23/240217423.db2.gz NHSQHWKLQDTDHW-GFCCVEGCSA-N 1 0 335.408 0.912 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000419766253 209200500 /nfs/dbraw/zinc/20/05/00/209200500.db2.gz YEOUNUNGFCRYLX-STQMWFEESA-N 1 0 334.376 0.906 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC000419762085 209199942 /nfs/dbraw/zinc/19/99/42/209199942.db2.gz RJERHPDQXYQRMQ-PWSUYJOCSA-N 1 0 334.376 0.715 20 5 ECBDRO CC(C)([NH3+])CNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000262614171 245065390 /nfs/dbraw/zinc/06/53/90/245065390.db2.gz XMFMLGDKXSNQTD-UHFFFAOYSA-N 1 0 326.378 0.639 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000264205261 246180970 /nfs/dbraw/zinc/18/09/70/246180970.db2.gz FCBAKZZIYAOENU-UHFFFAOYSA-N 1 0 337.380 0.553 20 5 ECBDRO CCOC(=O)CC1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000266516037 248340612 /nfs/dbraw/zinc/34/06/12/248340612.db2.gz GKMAJLMNXACKKM-CQSZACIVSA-N 1 0 340.380 0.817 20 5 ECBDRO COc1cc(OCC(=O)NC[C@@H]2C[NH2+]CCCO2)ccc1[N+](=O)[O-] ZINC000449713222 211294680 /nfs/dbraw/zinc/29/46/80/211294680.db2.gz WOZDMQHNUZPBGO-LBPRGKRZSA-N 1 0 339.348 0.477 20 5 ECBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000449706454 211294281 /nfs/dbraw/zinc/29/42/81/211294281.db2.gz NITYYLMKSZZNHH-HNNXBMFYSA-N 1 0 345.359 0.889 20 5 ECBDRO C[C@@H]1C[C@@H](NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000447516177 211193275 /nfs/dbraw/zinc/19/32/75/211193275.db2.gz FHUSDZXFROWTCZ-YPMHNXCESA-N 1 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CCCN(C(=O)C(=O)NCCc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000419038606 208957025 /nfs/dbraw/zinc/95/70/25/208957025.db2.gz JUERXOPOUFEXCF-AWEZNQCLSA-N 1 0 348.403 0.854 20 5 ECBDRO Cc1ccc(NCCCNC(=O)C(=O)N[C@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000419455072 209099377 /nfs/dbraw/zinc/09/93/77/209099377.db2.gz OBPXQLJBWUUYET-LLVKDONJSA-N 1 0 337.380 0.285 20 5 ECBDRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000419153726 209003305 /nfs/dbraw/zinc/00/33/05/209003305.db2.gz QBXVRTJTVUNUFY-RWMBFGLXSA-N 1 0 346.387 0.840 20 5 ECBDRO COC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000496344556 255092934 /nfs/dbraw/zinc/09/29/34/255092934.db2.gz MBDORQDPOOELIS-YUMQZZPRSA-N 1 0 346.365 0.787 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000261817940 286350187 /nfs/dbraw/zinc/35/01/87/286350187.db2.gz AMWSRNFFNSVLRW-KOLCDFICSA-N 1 0 329.378 0.961 20 5 ECBDRO O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]1 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CNC(=O)[C@H]1CCC[C@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000331679372 437142103 /nfs/dbraw/zinc/14/21/03/437142103.db2.gz SHVNCZHSZWHZAS-UONOGXRCSA-N 1 0 346.387 0.988 20 5 ECBDRO C[C@@H]1CN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CCN1CCO ZINC000302347754 437144584 /nfs/dbraw/zinc/14/45/84/437144584.db2.gz BCTBTXGHGSBRMJ-SNVBAGLBSA-N 1 0 333.348 0.746 20 5 ECBDRO CCn1cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])n1 ZINC000331715475 437150338 /nfs/dbraw/zinc/15/03/38/437150338.db2.gz HREHTOSAGKAFQY-GHMZBOCLSA-N 1 0 343.409 0.716 20 5 ECBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176236183 437136417 /nfs/dbraw/zinc/13/64/17/437136417.db2.gz ZJASJFJUIGEFGB-HNNXBMFYSA-N 1 0 336.440 0.893 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH2+]CC1(C)C ZINC000316606042 437187177 /nfs/dbraw/zinc/18/71/77/437187177.db2.gz PYDFCTVBZPEASN-UHFFFAOYSA-N 1 0 329.378 0.976 20 5 ECBDRO Nc1c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc(F)cc1[N+](=O)[O-] ZINC000326910465 437235187 /nfs/dbraw/zinc/23/51/87/437235187.db2.gz NVNYQKQDPGLIOF-QWRGUYRKSA-N 1 0 338.339 0.909 20 5 ECBDRO CCc1[nH]nc(C(=O)N2CCN(C[C@@H](C)O)[C@@H](CC)C2)c1[N+](=O)[O-] ZINC000182738678 437359643 /nfs/dbraw/zinc/35/96/43/437359643.db2.gz OKXGYKBDCSSCAQ-MNOVXSKESA-N 1 0 339.396 0.798 20 5 ECBDRO O=c1nc([C@H]2CCC[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)[nH][nH]1 ZINC000289406198 437406932 /nfs/dbraw/zinc/40/69/32/437406932.db2.gz LJHFPXMBYABFGC-WCQYABFASA-N 1 0 333.348 0.919 20 5 ECBDRO C[NH2+][C@H]1CCN(C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)C1 ZINC000269138037 437460228 /nfs/dbraw/zinc/46/02/28/437460228.db2.gz SKQSMYDQQRFNIL-NSHDSACASA-N 1 0 330.348 0.918 20 5 ECBDRO O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000269167282 437462546 /nfs/dbraw/zinc/46/25/46/437462546.db2.gz QTYIHFLKHSWZRP-UHFFFAOYSA-N 1 0 331.336 0.235 20 5 ECBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000290540489 437498991 /nfs/dbraw/zinc/49/89/91/437498991.db2.gz DGAPFJKONFLZDL-UHFFFAOYSA-N 1 0 326.401 0.133 20 5 ECBDRO CCn1cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])n1 ZINC000330450180 437516248 /nfs/dbraw/zinc/51/62/48/437516248.db2.gz IPPODPLHMAHRJG-LLVKDONJSA-N 1 0 345.425 0.774 20 5 ECBDRO COc1ccc(OCCN2CC[NH+](C[C@H](C)O)CC2)c([N+](=O)[O-])c1 ZINC000189275529 437589775 /nfs/dbraw/zinc/58/97/75/437589775.db2.gz DKDFRHDAOKTPGH-ZDUSSCGKSA-N 1 0 339.392 0.981 20 5 ECBDRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000354685396 437647378 /nfs/dbraw/zinc/64/73/78/437647378.db2.gz FTZWRCPDDMLJAH-AWEZNQCLSA-N 1 0 334.376 0.512 20 5 ECBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)n1 ZINC000191760031 437653525 /nfs/dbraw/zinc/65/35/25/437653525.db2.gz ZLRVTGPONJIMPW-GFCCVEGCSA-N 1 0 339.396 0.898 20 5 ECBDRO O=C(NCC1CC[NH+](CCO)CC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000340551126 437689440 /nfs/dbraw/zinc/68/94/40/437689440.db2.gz OPLVQGMJELYWCR-UHFFFAOYSA-N 1 0 347.375 0.905 20 5 ECBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356457609 437767265 /nfs/dbraw/zinc/76/72/65/437767265.db2.gz JQDXKZLPEZZKCZ-UHFFFAOYSA-N 1 0 327.385 0.759 20 5 ECBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000340990344 437769978 /nfs/dbraw/zinc/76/99/78/437769978.db2.gz HRKZTRUHFCJPRU-ZDUSSCGKSA-N 1 0 335.364 0.368 20 5 ECBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000340994850 437770276 /nfs/dbraw/zinc/77/02/76/437770276.db2.gz MLRRJFPQAKUXBO-AWEZNQCLSA-N 1 0 334.376 0.973 20 5 ECBDRO COC1CC[NH+](C(C)(C)CNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000341265826 437823149 /nfs/dbraw/zinc/82/31/49/437823149.db2.gz RYTIGUTZSKIVMG-UHFFFAOYSA-N 1 0 339.396 0.797 20 5 ECBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)CCC[N@H+](C)CCN(C)C)n1 ZINC000356530447 437779074 /nfs/dbraw/zinc/77/90/74/437779074.db2.gz RWXMIONWITVSDA-UHFFFAOYSA-N 1 0 340.428 0.767 20 5 ECBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000415376731 437794193 /nfs/dbraw/zinc/79/41/93/437794193.db2.gz LIVXCWPCTXTFCN-SNVBAGLBSA-N 1 0 336.348 0.800 20 5 ECBDRO O=C(Nc1ccncc1[N+](=O)[O-])NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000415379741 437794554 /nfs/dbraw/zinc/79/45/54/437794554.db2.gz FRSHOMLPIWLPMB-UHFFFAOYSA-N 1 0 348.407 0.750 20 5 ECBDRO C[C@H](C[NH3+])CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000415520564 437815991 /nfs/dbraw/zinc/81/59/91/437815991.db2.gz OSRFBVKUUAPSKM-SSDOTTSWSA-N 1 0 346.290 0.846 20 5 ECBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000415609958 437832453 /nfs/dbraw/zinc/83/24/53/437832453.db2.gz VCRZSCPKMLBCMD-GFCCVEGCSA-N 1 0 336.348 0.282 20 5 ECBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415767899 437856734 /nfs/dbraw/zinc/85/67/34/437856734.db2.gz ZINABRRKSHUMGQ-IWIIMEHWSA-N 1 0 334.332 0.266 20 5 ECBDRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000415780263 437857906 /nfs/dbraw/zinc/85/79/06/437857906.db2.gz CPEKILDYSMFNHT-SSDOTTSWSA-N 1 0 346.290 0.988 20 5 ECBDRO COc1ccc(NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC000415814730 437863968 /nfs/dbraw/zinc/86/39/68/437863968.db2.gz JBGXIISBTQGJBF-UHFFFAOYSA-N 1 0 336.348 0.752 20 5 ECBDRO C[NH+](C)C1(CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000416305470 437914481 /nfs/dbraw/zinc/91/44/81/437914481.db2.gz XJWDQFHBSGXHIB-UHFFFAOYSA-N 1 0 330.348 1.000 20 5 ECBDRO COc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000416497389 437947565 /nfs/dbraw/zinc/94/75/65/437947565.db2.gz SVAWYYFJOOXIPF-SNVBAGLBSA-N 1 0 329.378 0.833 20 5 ECBDRO CCn1cc(S(=O)(=O)NCC[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])n1 ZINC000416560542 437961232 /nfs/dbraw/zinc/96/12/32/437961232.db2.gz SMXCEZPZZKGPHI-NSHDSACASA-N 1 0 345.425 0.821 20 5 ECBDRO CS(=O)(=O)c1cc(C(=O)NCC2([NH3+])CCC2)cc([N+](=O)[O-])c1 ZINC000342587184 438035890 /nfs/dbraw/zinc/03/58/90/438035890.db2.gz MBJKXPZKYQICLV-UHFFFAOYSA-N 1 0 327.362 0.610 20 5 ECBDRO COc1cc(CCNC(=O)N2CC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000416928595 438000917 /nfs/dbraw/zinc/00/09/17/438000917.db2.gz YPSLYRJROFQJOL-UHFFFAOYSA-N 1 0 338.364 0.769 20 5 ECBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000429139536 438097189 /nfs/dbraw/zinc/09/71/89/438097189.db2.gz WATKTKHGGGYHSQ-MNOVXSKESA-N 1 0 326.401 0.927 20 5 ECBDRO CC[NH2+]CCNC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000418021308 438100933 /nfs/dbraw/zinc/10/09/33/438100933.db2.gz PLBISZGBQBPBOC-UHFFFAOYSA-N 1 0 344.393 0.277 20 5 ECBDRO C[NH+]1CCC(NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000348909918 438115620 /nfs/dbraw/zinc/11/56/20/438115620.db2.gz JYVWKJGFEJLGFI-UHFFFAOYSA-N 1 0 349.391 0.604 20 5 ECBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000358041866 438129791 /nfs/dbraw/zinc/12/97/91/438129791.db2.gz GGIVRAZDGTUCDK-MRXNPFEDSA-N 1 0 332.360 0.801 20 5 ECBDRO COc1c[nH+]ccc1N1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000358268954 438191199 /nfs/dbraw/zinc/19/11/99/438191199.db2.gz BBYCBENPVAVEMV-UHFFFAOYSA-N 1 0 346.347 0.694 20 5 ECBDRO C[C@H](C[NH3+])NC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418508394 438153445 /nfs/dbraw/zinc/15/34/45/438153445.db2.gz DTIRFRVYOCFTGE-LLVKDONJSA-N 1 0 335.364 0.409 20 5 ECBDRO COC(=O)C1=NOC2(C1)CC[NH+](Cc1c([N+](=O)[O-])ncn1C)CC2 ZINC000373506410 438155743 /nfs/dbraw/zinc/15/57/43/438155743.db2.gz KOBGDXOKHJLLTA-UHFFFAOYSA-N 1 0 337.336 0.612 20 5 ECBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000418861826 438222244 /nfs/dbraw/zinc/22/22/44/438222244.db2.gz FIRBEIZURUJERE-RISCZKNCSA-N 1 0 334.376 0.510 20 5 ECBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000358498247 438238383 /nfs/dbraw/zinc/23/83/83/438238383.db2.gz OJZUUYAVMVZWGQ-GHMZBOCLSA-N 1 0 340.384 0.013 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000418945618 438260563 /nfs/dbraw/zinc/26/05/63/438260563.db2.gz NADRUBUDLUQIEN-GFCCVEGCSA-N 1 0 336.348 0.169 20 5 ECBDRO COc1ccc(CNC(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000358726664 438291069 /nfs/dbraw/zinc/29/10/69/438291069.db2.gz VAZNHJDCSGBXBM-OAHLLOKOSA-N 1 0 338.364 0.469 20 5 ECBDRO O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419031695 438297958 /nfs/dbraw/zinc/29/79/58/438297958.db2.gz AQKUQSPZKYMRJX-OKILXGFUSA-N 1 0 346.387 0.606 20 5 ECBDRO C[C@@H](NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1ccccc1[N+](=O)[O-] ZINC000419154570 438349646 /nfs/dbraw/zinc/34/96/46/438349646.db2.gz RSOXHJMDEBKXMZ-SJKOYZFVSA-N 1 0 346.387 0.984 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000420408328 438406361 /nfs/dbraw/zinc/40/63/61/438406361.db2.gz VUGNZRNTDPVISO-SECBINFHSA-N 1 0 343.361 0.412 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC000385384017 438417810 /nfs/dbraw/zinc/41/78/10/438417810.db2.gz PFRGLBKPNDJNGH-SKDRFNHKSA-N 1 0 327.362 0.586 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H](CO)C2CCOCC2)c1 ZINC000359900070 438516350 /nfs/dbraw/zinc/51/63/50/438516350.db2.gz XLJRTNYLZZOPKM-GDBMZVCRSA-N 1 0 340.376 0.712 20 5 ECBDRO CC(C)C[N@@H+]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000369826343 438521162 /nfs/dbraw/zinc/52/11/62/438521162.db2.gz UHHAWYYHMPQAMR-OAHLLOKOSA-N 1 0 325.413 0.816 20 5 ECBDRO O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NC[C@H]1CC[NH2+]C1)OCCO2 ZINC000440839220 438567535 /nfs/dbraw/zinc/56/75/35/438567535.db2.gz AKDCFYDKRYJEBN-VIFPVBQESA-N 1 0 343.361 0.254 20 5 ECBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000493110999 438605916 /nfs/dbraw/zinc/60/59/16/438605916.db2.gz AZJSMRDOZNCGDV-FBVTZJDUSA-N 1 0 330.344 0.378 20 5 ECBDRO [NH3+][C@@H]1CCC[C@H]1NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422979028 438623235 /nfs/dbraw/zinc/62/32/35/438623235.db2.gz IQVRATVKBOGKJD-GHMZBOCLSA-N 1 0 328.394 0.343 20 5 ECBDRO C[C@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]1 ZINC000422984471 438624782 /nfs/dbraw/zinc/62/47/82/438624782.db2.gz XWIOLUVIZBGZJE-NWDGAFQWSA-N 1 0 342.421 0.603 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000453033428 438681355 /nfs/dbraw/zinc/68/13/55/438681355.db2.gz JQCOPRHMVMHHME-HIFRSBDPSA-N 1 0 346.387 0.796 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H](CO)[C@H]1CCCO1 ZINC000447913783 438681562 /nfs/dbraw/zinc/68/15/62/438681562.db2.gz NKIVVNBMFYSIOB-MBNYWOFBSA-N 1 0 326.349 0.464 20 5 ECBDRO O=c1[nH]c(NC[C@@H]2CCC[N@H+]2CCCO)nc2ccc([N+](=O)[O-])cc12 ZINC000450596696 438693526 /nfs/dbraw/zinc/69/35/26/438693526.db2.gz NSZCEXCFFGJHPE-LBPRGKRZSA-N 1 0 347.375 1.502 20 5 ECBDRO CNc1nc(C(=O)N2CCN(CC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000454360445 438715442 /nfs/dbraw/zinc/71/54/42/438715442.db2.gz OBHJPHXUZIDYQH-UHFFFAOYSA-N 1 0 336.396 0.351 20 5 ECBDRO [NH3+]C1CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC1 ZINC000574915454 438727727 /nfs/dbraw/zinc/72/77/27/438727727.db2.gz ZCIZRDRQVJHTJN-UHFFFAOYSA-N 1 0 334.376 0.995 20 5 ECBDRO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000575174859 438741397 /nfs/dbraw/zinc/74/13/97/438741397.db2.gz WYMVUIBXCWOPJN-NEPJUHHUSA-N 1 0 346.405 0.747 20 5 ECBDRO CNc1nc(C(=O)N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)ccc1[N+](=O)[O-] ZINC000456071349 438757864 /nfs/dbraw/zinc/75/78/64/438757864.db2.gz SPLVKESWPULBTA-ZYHUDNBSSA-N 1 0 337.380 0.559 20 5 ECBDRO COCC[NH2+]C1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000575994735 438764275 /nfs/dbraw/zinc/76/42/75/438764275.db2.gz UVVICIOXDMOKAQ-UHFFFAOYSA-N 1 0 336.392 0.894 20 5 ECBDRO CC[C@H]1C[N@H+](C)CCN1c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000555242225 438774501 /nfs/dbraw/zinc/77/45/01/438774501.db2.gz HICUALJBCDURQZ-JTQLQIEISA-N 1 0 328.394 0.773 20 5 ECBDRO COC[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCOCC1 ZINC000595613667 438835123 /nfs/dbraw/zinc/83/51/23/438835123.db2.gz DGCGTURRVPXZMX-UONOGXRCSA-N 1 0 328.369 0.183 20 5 ECBDRO CO[C@@]1(CO)CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000595661092 438841032 /nfs/dbraw/zinc/84/10/32/438841032.db2.gz IAZZIFWLFZUTTA-ZBFHGGJFSA-N 1 0 340.376 0.808 20 5 ECBDRO NC(=O)C1([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000595729425 438852812 /nfs/dbraw/zinc/85/28/12/438852812.db2.gz RYBIAOJLUHJIEW-UHFFFAOYSA-N 1 0 336.348 0.548 20 5 ECBDRO CN(CC(C)(C)[NH3+])C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000595963071 438903149 /nfs/dbraw/zinc/90/31/49/438903149.db2.gz YZAWTSJCTPXIGJ-UHFFFAOYSA-N 1 0 340.405 0.982 20 5 ECBDRO NC(=O)c1ccnc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000589569679 438877438 /nfs/dbraw/zinc/87/74/38/438877438.db2.gz NLUJDOLLUJSQKZ-NEPJUHHUSA-N 1 0 335.364 0.124 20 5 ECBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCNC1(CO)CC[NH2+]CC1 ZINC000595902251 438880454 /nfs/dbraw/zinc/88/04/54/438880454.db2.gz PJVDTCNILAQEAG-UHFFFAOYSA-N 1 0 336.392 0.936 20 5 ECBDRO C[NH+](C)CCC[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CCO1 ZINC000595905341 438885737 /nfs/dbraw/zinc/88/57/37/438885737.db2.gz BZGXOPGEKKDRKE-OAHLLOKOSA-N 1 0 338.408 0.799 20 5 ECBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000590402417 438918555 /nfs/dbraw/zinc/91/85/55/438918555.db2.gz TUAKHAIBMJYVSS-KGLIPLIRSA-N 1 0 337.380 0.503 20 5 ECBDRO NS(=O)(=O)c1cc(N[C@@H]2CC[N@@H+](C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000596091203 438924015 /nfs/dbraw/zinc/92/40/15/438924015.db2.gz YEPTUSNAXHMECO-SECBINFHSA-N 1 0 326.378 0.891 20 5 ECBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCOC2(C[NH2+]C2)C1 ZINC000596098092 438924165 /nfs/dbraw/zinc/92/41/65/438924165.db2.gz MPOPVOILLDHKOJ-UHFFFAOYSA-N 1 0 335.316 0.180 20 5 ECBDRO COc1cccc(C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC000578452951 438926498 /nfs/dbraw/zinc/92/64/98/438926498.db2.gz ZINJAXXYJPTEHR-INIZCTEOSA-N 1 0 335.360 0.790 20 5 ECBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])CCN2C1=O ZINC000578453653 438926574 /nfs/dbraw/zinc/92/65/74/438926574.db2.gz AQMJHEQIZNHCAG-WCBMZHEXSA-N 1 0 338.751 0.632 20 5 ECBDRO C[NH+]1CCC2(CC1)CN(c1ccc([N+](=O)[O-])c(C(N)=O)c1)CCO2 ZINC000596291425 438950600 /nfs/dbraw/zinc/95/06/00/438950600.db2.gz IZVJMGVAFBOCQQ-UHFFFAOYSA-N 1 0 334.376 0.995 20 5 ECBDRO Nc1nc(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)ncc1[N+](=O)[O-] ZINC000596422158 438959727 /nfs/dbraw/zinc/95/97/27/438959727.db2.gz BLSVRDKXPLETJK-CYBMUJFWSA-N 1 0 344.375 0.568 20 5 ECBDRO [NH3+][C@H]1C[C@H]2CN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000579129084 438982369 /nfs/dbraw/zinc/98/23/69/438982369.db2.gz DWAXKODINJHQJZ-KBPBESRZSA-N 1 0 347.375 0.091 20 5 ECBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000579129095 438983442 /nfs/dbraw/zinc/98/34/42/438983442.db2.gz DWAXKODINJHQJZ-ZIAGYGMSSA-N 1 0 347.375 0.091 20 5 ECBDRO COc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000591292479 438997311 /nfs/dbraw/zinc/99/73/11/438997311.db2.gz SRAMJBIGBWINEW-NSHDSACASA-N 1 0 336.348 0.800 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1COC[C@H]1OC ZINC000459834585 439012382 /nfs/dbraw/zinc/01/23/82/439012382.db2.gz WMXZYMMUYZWRMM-GXTWGEPZSA-N 1 0 339.348 0.935 20 5 ECBDRO COc1ccc(NC(=O)CC[NH2+][C@H]2COC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000459835973 439012803 /nfs/dbraw/zinc/01/28/03/439012803.db2.gz YRDPXIKOSNMCCF-GXTWGEPZSA-N 1 0 339.348 0.935 20 5 ECBDRO CNS(=O)(=O)c1ccc(N2CC[C@H]3CC[NH2+][C@H]3C2)c([N+](=O)[O-])c1 ZINC000591438984 439014161 /nfs/dbraw/zinc/01/41/61/439014161.db2.gz PURUEZAEPNWMFP-PWSUYJOCSA-N 1 0 340.405 0.691 20 5 ECBDRO CNS(=O)(=O)c1ccc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)c([N+](=O)[O-])c1 ZINC000591438979 439014799 /nfs/dbraw/zinc/01/47/99/439014799.db2.gz PURUEZAEPNWMFP-CMPLNLGQSA-N 1 0 340.405 0.691 20 5 ECBDRO C[C@@H](NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000579573007 439020787 /nfs/dbraw/zinc/02/07/87/439020787.db2.gz ZJWCZMGPZADMEJ-NEPJUHHUSA-N 1 0 334.376 0.969 20 5 ECBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000591902978 439108545 /nfs/dbraw/zinc/10/85/45/439108545.db2.gz GWWRPOJJGAZNQT-LBPRGKRZSA-N 1 0 349.391 0.856 20 5 ECBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000602571640 439114009 /nfs/dbraw/zinc/11/40/09/439114009.db2.gz AZFKKHJQLGYZDR-WCQYABFASA-N 1 0 334.376 0.912 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCS2(=O)=O)c1 ZINC000566556673 439070809 /nfs/dbraw/zinc/07/08/09/439070809.db2.gz KNKNWSZEFQZGBY-OCCSQVGLSA-N 1 0 344.389 0.501 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCN(c3ccccn3)C2)c1 ZINC000591757073 439079378 /nfs/dbraw/zinc/07/93/78/439079378.db2.gz XFZIGROBALRMBA-OCCSQVGLSA-N 1 0 332.364 0.416 20 5 ECBDRO CC(C)(C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000591749652 439080817 /nfs/dbraw/zinc/08/08/17/439080817.db2.gz GTVHQIURZOQAGN-LBPRGKRZSA-N 1 0 346.405 0.747 20 5 ECBDRO CO[C@@]1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000591760169 439082913 /nfs/dbraw/zinc/08/29/13/439082913.db2.gz UEAVVSLVLXCRFZ-CQSZACIVSA-N 1 0 344.389 0.764 20 5 ECBDRO O=C(NCC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccn[nH]1 ZINC000591758747 439082954 /nfs/dbraw/zinc/08/29/54/439082954.db2.gz DKGCEATYMSXVIU-LLVKDONJSA-N 1 0 349.347 0.077 20 5 ECBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000580704351 439120495 /nfs/dbraw/zinc/12/04/95/439120495.db2.gz NAEKRSKJYPZOBN-UHFFFAOYSA-N 1 0 349.391 0.211 20 5 ECBDRO COc1cc(C(=O)NC[C@H]2C[NH2+]CCO2)cc([N+](=O)[O-])c1OC ZINC000521611773 439125087 /nfs/dbraw/zinc/12/50/87/439125087.db2.gz UMPBXZFFZJYGIM-SNVBAGLBSA-N 1 0 325.321 0.330 20 5 ECBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000597620598 439140549 /nfs/dbraw/zinc/14/05/49/439140549.db2.gz RXKFZEWDCIQWIH-LBPRGKRZSA-N 1 0 337.380 0.655 20 5 ECBDRO O=C(C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000567890340 439193491 /nfs/dbraw/zinc/19/34/91/439193491.db2.gz VAVNPYJJEJYSBR-BETUJISGSA-N 1 0 344.371 0.157 20 5 ECBDRO COC(=O)c1cc(C(=O)N2CCN(C)C[C@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000592308221 439199869 /nfs/dbraw/zinc/19/98/69/439199869.db2.gz CAEGZDYNQMFLEG-CYBMUJFWSA-N 1 0 336.348 0.096 20 5 ECBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000592309042 439200672 /nfs/dbraw/zinc/20/06/72/439200672.db2.gz QGQODZNQWKDQNM-YMTOWFKASA-N 1 0 337.332 0.554 20 5 ECBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[NH2+]CC1 ZINC000592331034 439206142 /nfs/dbraw/zinc/20/61/42/439206142.db2.gz UOKGJUFAPHSBHY-CYBMUJFWSA-N 1 0 334.376 0.973 20 5 ECBDRO O=[N+]([O-])c1ccc(CCn2cc(CCN3CC[NH2+]CC3)nn2)cc1 ZINC000603198351 439206654 /nfs/dbraw/zinc/20/66/54/439206654.db2.gz SOCKTVCESKUTOC-UHFFFAOYSA-N 1 0 330.392 0.877 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000592376160 439213526 /nfs/dbraw/zinc/21/35/26/439213526.db2.gz ZRLXPZPDMQMOOG-GXSJLCMTSA-N 1 0 345.377 0.340 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000592383954 439215245 /nfs/dbraw/zinc/21/52/45/439215245.db2.gz YCBADHXUMMHFJA-AOOOYVTPSA-N 1 0 327.362 0.443 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000592382799 439216109 /nfs/dbraw/zinc/21/61/09/439216109.db2.gz VYLISKANEINCJW-VHSXEESVSA-N 1 0 329.378 0.961 20 5 ECBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000592388063 439217934 /nfs/dbraw/zinc/21/79/34/439217934.db2.gz SSUNHWTYDNFEIO-UWVGGRQHSA-N 1 0 347.368 0.924 20 5 ECBDRO Cc1ccc(C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000598185193 439238122 /nfs/dbraw/zinc/23/81/22/439238122.db2.gz HLNZIWMBOQCNCE-UHFFFAOYSA-N 1 0 336.392 0.995 20 5 ECBDRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000592546411 439249409 /nfs/dbraw/zinc/24/94/09/439249409.db2.gz ADKKSXZDOBTGQA-GFCCVEGCSA-N 1 0 337.332 0.581 20 5 ECBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000598452231 439264655 /nfs/dbraw/zinc/26/46/55/439264655.db2.gz HRJWKVZXBNWOBU-LBPRGKRZSA-N 1 0 334.376 0.848 20 5 ECBDRO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000582300218 439317246 /nfs/dbraw/zinc/31/72/46/439317246.db2.gz LPBBLXCDLRBRAG-UHFFFAOYSA-N 1 0 344.331 0.752 20 5 ECBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c1 ZINC000598869032 439322173 /nfs/dbraw/zinc/32/21/73/439322173.db2.gz VKXSOAMRAPFOHD-UHFFFAOYSA-N 1 0 336.392 0.995 20 5 ECBDRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598915739 439326439 /nfs/dbraw/zinc/32/64/39/439326439.db2.gz NSVKYCPYVRPCFW-JOYOIKCWSA-N 1 0 336.348 0.763 20 5 ECBDRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598915737 439326948 /nfs/dbraw/zinc/32/69/48/439326948.db2.gz NSVKYCPYVRPCFW-BXKDBHETSA-N 1 0 336.348 0.763 20 5 ECBDRO [NH3+]CC[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000598914028 439327028 /nfs/dbraw/zinc/32/70/28/439327028.db2.gz VPZVISKYXPXMPF-VIFPVBQESA-N 1 0 334.254 0.929 20 5 ECBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000598915983 439327175 /nfs/dbraw/zinc/32/71/75/439327175.db2.gz RUOXTXFEOVFORL-CQSZACIVSA-N 1 0 347.375 0.039 20 5 ECBDRO Cc1ccc(S(=O)(=O)NC[C@]2(O)CC[N@@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000598609504 439286853 /nfs/dbraw/zinc/28/68/53/439286853.db2.gz YZEXBSOYFBRVND-CQSZACIVSA-N 1 0 343.405 0.557 20 5 ECBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000592882392 439297009 /nfs/dbraw/zinc/29/70/09/439297009.db2.gz XDPXYYIOGTUGIA-GFCCVEGCSA-N 1 0 334.376 0.716 20 5 ECBDRO C[NH2+]C[C@H]1CCCN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598664192 439298109 /nfs/dbraw/zinc/29/81/09/439298109.db2.gz JEECHAHDMMXGSJ-CYBMUJFWSA-N 1 0 335.364 0.927 20 5 ECBDRO C[C@@H]1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](C)C[NH2+]1 ZINC000598665186 439300656 /nfs/dbraw/zinc/30/06/56/439300656.db2.gz LTEYJVVQEKSUTM-GHMZBOCLSA-N 1 0 335.364 0.925 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000604227458 439304135 /nfs/dbraw/zinc/30/41/35/439304135.db2.gz DZMOWYIDSXHMSZ-JTQLQIEISA-N 1 0 336.348 0.752 20 5 ECBDRO CO[C@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H](C[NH3+])C1 ZINC000582235993 439306604 /nfs/dbraw/zinc/30/66/04/439306604.db2.gz MUFMXFWLLPRQNO-UWVGGRQHSA-N 1 0 337.332 0.902 20 5 ECBDRO C[NH2+]CCOCCN(C)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000599108515 439360069 /nfs/dbraw/zinc/36/00/69/439360069.db2.gz ZSMAZSSRFSSNFO-UHFFFAOYSA-N 1 0 335.357 0.590 20 5 ECBDRO C[NH2+]CCOCCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000599107877 439360385 /nfs/dbraw/zinc/36/03/85/439360385.db2.gz OTPBIMXJBZFOJM-UHFFFAOYSA-N 1 0 331.394 0.726 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H](CO)[C@@H]1CCCOC1 ZINC000582486396 439342297 /nfs/dbraw/zinc/34/22/97/439342297.db2.gz LLGZLRXCHRFKIE-MCIONIFRSA-N 1 0 340.376 0.712 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC[NH2+]C2CCCCCC2)n1 ZINC000599097927 439354886 /nfs/dbraw/zinc/35/48/86/439354886.db2.gz NAWBQKBXVDWTCZ-UHFFFAOYSA-N 1 0 345.425 0.919 20 5 ECBDRO C[C@H]1CCCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000599103692 439358471 /nfs/dbraw/zinc/35/84/71/439358471.db2.gz XUMUQHCTTJPLKG-UWVGGRQHSA-N 1 0 331.398 0.466 20 5 ECBDRO CC[C@@H]1CN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000599178501 439373877 /nfs/dbraw/zinc/37/38/77/439373877.db2.gz IEWZDRGMMIZWFQ-NWDGAFQWSA-N 1 0 336.396 0.798 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H](O)C[NH+]2CCCCC2)nc1 ZINC000593549948 439400354 /nfs/dbraw/zinc/40/03/54/439400354.db2.gz NXEWWGPOJKIOQE-GFCCVEGCSA-N 1 0 344.393 0.115 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCC[NH+]2CCCCC2)n1 ZINC000599207594 439381553 /nfs/dbraw/zinc/38/15/53/439381553.db2.gz RWMIKXUTRGURHW-UHFFFAOYSA-N 1 0 331.398 0.483 20 5 ECBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599218902 439388003 /nfs/dbraw/zinc/38/80/03/439388003.db2.gz RJEOHTSPEQAXQM-UHFFFAOYSA-N 1 0 345.425 0.823 20 5 ECBDRO C[C@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000599227677 439389214 /nfs/dbraw/zinc/38/92/14/439389214.db2.gz UZMHAJVXTLAYQW-LLVKDONJSA-N 1 0 345.425 0.729 20 5 ECBDRO CCC(CC)[C@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[NH+](C)C ZINC000599286855 439417046 /nfs/dbraw/zinc/41/70/46/439417046.db2.gz HUVVBAHGQNWFHJ-NSHDSACASA-N 1 0 347.441 0.973 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000583133215 439423233 /nfs/dbraw/zinc/42/32/33/439423233.db2.gz ZYKOUPUTCUWQEZ-CYBMUJFWSA-N 1 0 337.380 0.388 20 5 ECBDRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599350108 439445606 /nfs/dbraw/zinc/44/56/06/439445606.db2.gz SXMFVDWUGZQIDM-UHFFFAOYSA-N 1 0 333.414 0.727 20 5 ECBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC(N2CC[C@@H](O)C2)C1 ZINC000593853159 439476971 /nfs/dbraw/zinc/47/69/71/439476971.db2.gz CZTWUCDMQVIUEF-GFCCVEGCSA-N 1 0 330.344 0.967 20 5 ECBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CC[N@@H+]4C[C@H](O)C[C@H]4C3)n2)cc1 ZINC000594025412 439510522 /nfs/dbraw/zinc/51/05/22/439510522.db2.gz KERRZXLZHSABFN-UONOGXRCSA-N 1 0 345.359 0.896 20 5 ECBDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000593919040 439494304 /nfs/dbraw/zinc/49/43/04/439494304.db2.gz MFBVTPAKIYQUSM-KWCYVHTRSA-N 1 0 337.380 0.679 20 5 ECBDRO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000571633970 439519135 /nfs/dbraw/zinc/51/91/35/439519135.db2.gz GIGACSIMBSCNOE-OLZOCXBDSA-N 1 0 349.395 0.992 20 5 ECBDRO CC[N@H+](C)C[C@@H](O)CN[C@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000599648764 439525807 /nfs/dbraw/zinc/52/58/07/439525807.db2.gz FFEQKDPVARXBOF-HOCLYGCPSA-N 1 0 339.392 0.885 20 5 ECBDRO COCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000609269740 439560573 /nfs/dbraw/zinc/56/05/73/439560573.db2.gz WGLRXJBKENZOBT-LBPRGKRZSA-N 1 0 339.396 0.753 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000594451643 439563363 /nfs/dbraw/zinc/56/33/63/439563363.db2.gz PXWZVJXKCLYCPY-XVKPBYJWSA-N 1 0 348.281 0.719 20 5 ECBDRO Cc1ccc(NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000594533841 439575387 /nfs/dbraw/zinc/57/53/87/439575387.db2.gz QMJJQTGPRONARF-SECBINFHSA-N 1 0 334.254 0.848 20 5 ECBDRO CCC(=O)N1CC[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000572393696 439579423 /nfs/dbraw/zinc/57/94/23/439579423.db2.gz ULXIGTOBGBAGGV-OLZOCXBDSA-N 1 0 337.376 0.935 20 5 ECBDRO CN1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)[C@@H](C[NH3+])C1 ZINC000572600163 439595065 /nfs/dbraw/zinc/59/50/65/439595065.db2.gz CTWGGCREAUWQJB-LBPRGKRZSA-N 1 0 344.375 0.495 20 5 ECBDRO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000584715069 439609745 /nfs/dbraw/zinc/60/97/45/439609745.db2.gz DOALOQQSSVJSDS-FIRUKDTASA-N 1 0 349.387 0.933 20 5 ECBDRO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000584715071 439610537 /nfs/dbraw/zinc/61/05/37/439610537.db2.gz DOALOQQSSVJSDS-NCZKRNLISA-N 1 0 349.387 0.933 20 5 ECBDRO O=C(N1CCCC1)[C@@]1(O)CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000585803832 439654157 /nfs/dbraw/zinc/65/41/57/439654157.db2.gz DTOQBZPEWSYWOZ-OAHLLOKOSA-N 1 0 337.380 0.241 20 5 ECBDRO CCc1n[nH]c(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000610913468 439658318 /nfs/dbraw/zinc/65/83/18/439658318.db2.gz YKMROIVCNGLLLK-LLVKDONJSA-N 1 0 337.380 0.863 20 5 ECBDRO COC1CC[NH+](CCNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000610573020 439627388 /nfs/dbraw/zinc/62/73/88/439627388.db2.gz KNQNMOYJTWBGBC-UHFFFAOYSA-N 1 0 325.369 0.408 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595241540 439679694 /nfs/dbraw/zinc/67/96/94/439679694.db2.gz ADDSTFYBKUKXQO-NXEZZACHSA-N 1 0 340.311 0.440 20 5 ECBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1nnnn1C ZINC000611327555 439691744 /nfs/dbraw/zinc/69/17/44/439691744.db2.gz JAZPKFJELNRSTK-SNVBAGLBSA-N 1 0 333.352 0.668 20 5 ECBDRO CC[N@@H+](CC(=O)N(C)C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612059070 439746056 /nfs/dbraw/zinc/74/60/56/439746056.db2.gz GQUJMFYTUZONEE-GFCCVEGCSA-N 1 0 325.365 0.745 20 5 ECBDRO CCn1cc(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])n1 ZINC000331003590 320880316 /nfs/dbraw/zinc/88/03/16/320880316.db2.gz GNZBNMJSMPRYRA-NSHDSACASA-N 1 0 345.425 0.964 20 5 ECBDRO CC(C)c1n[nH]c(C(=O)NCC2CC[NH+](CCO)CC2)c1[N+](=O)[O-] ZINC000340275107 321034204 /nfs/dbraw/zinc/03/42/04/321034204.db2.gz CNGXRPNWQGJTHP-UHFFFAOYSA-N 1 0 339.396 0.875 20 5 ECBDRO O=C1CC[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C2CC2)N1 ZINC000342045410 321073693 /nfs/dbraw/zinc/07/36/93/321073693.db2.gz IPWQXMZTVUOLQH-QRTARXTBSA-N 1 0 349.387 0.981 20 5 ECBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352517260 321363154 /nfs/dbraw/zinc/36/31/54/321363154.db2.gz CMIBJFHJPKRUMH-UONOGXRCSA-N 1 0 347.419 0.901 20 5 ECBDRO Cn1ccnc1[C@@H](NC[C@H](O)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000353499837 321395567 /nfs/dbraw/zinc/39/55/67/321395567.db2.gz DOGLEGLURRNEPB-GJZGRUSLSA-N 1 0 333.392 0.930 20 5 ECBDRO Cn1ccnc1[C@H](NC[C@H](O)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000353504161 321396049 /nfs/dbraw/zinc/39/60/49/321396049.db2.gz QKEYAMKXGJGLLJ-LSDHHAIUSA-N 1 0 333.392 0.930 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C(=O)NCC[NH+](C)C ZINC000560564776 322247107 /nfs/dbraw/zinc/24/71/07/322247107.db2.gz WAGFFHDOJVYYIZ-SNVBAGLBSA-N 1 0 338.364 0.400 20 5 ECBDRO CC(=O)Nc1cccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000562988051 322291210 /nfs/dbraw/zinc/29/12/10/322291210.db2.gz LGTGZQLBQKFYRQ-OAHLLOKOSA-N 1 0 333.348 0.900 20 5 ECBDRO [NH3+]CCCCn1cc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)nn1 ZINC000563075787 322296505 /nfs/dbraw/zinc/29/65/05/322296505.db2.gz RNMBBEZSRRWBBT-UHFFFAOYSA-N 1 0 348.363 0.734 20 5 ECBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)CN1c2cc([N+](=O)[O-])ccc2OCC1=O ZINC000565421958 322455705 /nfs/dbraw/zinc/45/57/05/322455705.db2.gz HINLLZMFBPORBG-NXEZZACHSA-N 1 0 336.348 0.562 20 5 ECBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000566495824 322538446 /nfs/dbraw/zinc/53/84/46/322538446.db2.gz KSSOBJRANRMIAO-MFKMUULPSA-N 1 0 348.359 0.378 20 5 ECBDRO O=C(NCCN1CC[NH2+]CC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000567596398 322588634 /nfs/dbraw/zinc/58/86/34/322588634.db2.gz XMYPTSHGKAIZLO-UHFFFAOYSA-N 1 0 333.392 0.568 20 5 ECBDRO O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000568391341 322626446 /nfs/dbraw/zinc/62/64/46/322626446.db2.gz USXOLFLKYKLNGP-UHFFFAOYSA-N 1 0 335.299 0.514 20 5 ECBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CCN2C1=O ZINC000571344929 322718587 /nfs/dbraw/zinc/71/85/87/322718587.db2.gz XWEWYTGCMWZQNA-NWDGAFQWSA-N 1 0 338.751 0.632 20 5 ECBDRO CCc1nn(C)c(CC)c1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000574393316 322778345 /nfs/dbraw/zinc/77/83/45/322778345.db2.gz UATGCTNRQAIRHL-LBPRGKRZSA-N 1 0 336.396 0.800 20 5 ECBDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000577602437 322839997 /nfs/dbraw/zinc/83/99/97/322839997.db2.gz AVBVUDBEFBZBHO-WCFLWFBJSA-N 1 0 346.409 0.098 20 5 ECBDRO 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578332964 /nfs/dbraw/zinc/33/29/64/578332964.db2.gz MDXZWACGCXVBRJ-GFCCVEGCSA-N 1 0 337.380 1.000 20 5 ECBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000735999467 578402177 /nfs/dbraw/zinc/40/21/77/578402177.db2.gz ATFAHKWQYFCEOL-JTQLQIEISA-N 1 0 347.383 0.218 20 5 ECBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000735999950 578402454 /nfs/dbraw/zinc/40/24/54/578402454.db2.gz DQGBYYZFDWTBFC-LLVKDONJSA-N 1 0 346.395 0.823 20 5 ECBDRO CN(CCN1CCOCC1)c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000786790165 578794008 /nfs/dbraw/zinc/79/40/08/578794008.db2.gz MMPRGNGTZUOTPY-UHFFFAOYSA-N 1 0 349.391 0.554 20 5 ECBDRO O=[N+]([O-])c1cnc(N2CC[N@@H+]3CCCC[C@H]3C2)c(-c2nn[nH]n2)c1 ZINC000738369345 579624620 /nfs/dbraw/zinc/62/46/20/579624620.db2.gz LLMAPJDUKPCFPS-JTQLQIEISA-N 1 0 330.352 0.844 20 5 ECBDRO COc1ccc([C@@H](O)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000743259675 579796056 /nfs/dbraw/zinc/79/60/56/579796056.db2.gz 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CCc1[nH]nc(C(=O)N2CCN(C[C@@H](C)O)[C@H](CC)C2)c1[N+](=O)[O-] ZINC000182738657 437360958 /nfs/dbraw/zinc/36/09/58/437360958.db2.gz OKXGYKBDCSSCAQ-GHMZBOCLSA-N 1 0 339.396 0.798 20 5 ECBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000288893002 437365466 /nfs/dbraw/zinc/36/54/66/437365466.db2.gz AYVUILBJBNQQNF-AWEZNQCLSA-N 1 0 347.419 0.903 20 5 ECBDRO COC(=O)CC[N@@H+]1CCN(CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000182087573 437338400 /nfs/dbraw/zinc/33/84/00/437338400.db2.gz KNWGWVCJQWZJAX-GFCCVEGCSA-N 1 0 325.369 0.361 20 5 ECBDRO CN(CC[N@H+](C)C1CC1)c1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000184785119 437409841 /nfs/dbraw/zinc/40/98/41/437409841.db2.gz CYEUHLJXQJMQIN-UHFFFAOYSA-N 1 0 328.394 0.773 20 5 ECBDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184732955 437410491 /nfs/dbraw/zinc/41/04/91/437410491.db2.gz ONNMPHZPQGUAIT-ZDUSSCGKSA-N 1 0 331.394 0.327 20 5 ECBDRO CC(C)[NH+]1CCC(O)(CNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000268421064 437414390 /nfs/dbraw/zinc/41/43/90/437414390.db2.gz AXZNWMJAUJFJHR-UHFFFAOYSA-N 1 0 339.396 0.533 20 5 ECBDRO Cc1nnc([C@H]2CCC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)[nH]1 ZINC000268520726 437430701 /nfs/dbraw/zinc/43/07/01/437430701.db2.gz WLSKCFDAOHWNAB-WCQYABFASA-N 1 0 335.368 0.458 20 5 ECBDRO O=C(CCN1CC[NH+](CCO)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000185167592 437430910 /nfs/dbraw/zinc/43/09/10/437430910.db2.gz WQTZUEVSIBLWID-UHFFFAOYSA-N 1 0 340.355 0.672 20 5 ECBDRO C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000289923828 437449180 /nfs/dbraw/zinc/44/91/80/437449180.db2.gz UNIIYPXPTAMPNN-IUODEOHRSA-N 1 0 348.403 0.989 20 5 ECBDRO C[NH+](C)C1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000185798809 437450662 /nfs/dbraw/zinc/45/06/62/437450662.db2.gz KHSZLYWRWOCKCH-UHFFFAOYSA-N 1 0 343.405 0.984 20 5 ECBDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000330612986 437567712 /nfs/dbraw/zinc/56/77/12/437567712.db2.gz RNBJSCNFXYDLBS-VXGBXAGGSA-N 1 0 331.398 0.241 20 5 ECBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCN1CCCOCC1 ZINC000189101191 437581723 /nfs/dbraw/zinc/58/17/23/437581723.db2.gz TVYCLYIVAMBMKY-UHFFFAOYSA-N 1 0 343.405 0.904 20 5 ECBDRO CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000191874747 437657222 /nfs/dbraw/zinc/65/72/22/437657222.db2.gz BZMKLFXPXYBAQK-QWHCGFSZSA-N 1 0 334.376 0.620 20 5 ECBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000343818032 437666233 /nfs/dbraw/zinc/66/62/33/437666233.db2.gz AXVGVMNIQCHERA-ZDUSSCGKSA-N 1 0 336.392 0.851 20 5 ECBDRO C[C@@H]1COCC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000192509351 437681200 /nfs/dbraw/zinc/68/12/00/437681200.db2.gz PKCIZWLJRCDFHA-BXUZGUMPSA-N 1 0 343.405 0.888 20 5 ECBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc([N+](=O)[O-])cnc3N)[C@H]2C1 ZINC000355374972 437701714 /nfs/dbraw/zinc/70/17/14/437701714.db2.gz XDUVSDNHKUODJB-QWHCGFSZSA-N 1 0 335.364 0.507 20 5 ECBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CCC[NH2+]CC1 ZINC000423600513 437772083 /nfs/dbraw/zinc/77/20/83/437772083.db2.gz ASOXGFRXZXNZDP-UHFFFAOYSA-N 1 0 334.376 0.418 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000423745817 437822548 /nfs/dbraw/zinc/82/25/48/437822548.db2.gz OMFCZTBQLCQJRD-WCQYABFASA-N 1 0 334.376 0.877 20 5 ECBDRO C[C@H]1CN(C(=O)C(=O)N(C)CCc2ccccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000423751783 437823185 /nfs/dbraw/zinc/82/31/85/437823185.db2.gz WKEHVYUITQHEBG-AAEUAGOBSA-N 1 0 334.376 0.401 20 5 ECBDRO COc1ccc(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000423730937 437815662 /nfs/dbraw/zinc/81/56/62/437815662.db2.gz XEXIICBTGGFRMC-LLVKDONJSA-N 1 0 336.348 0.800 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000415899478 437877991 /nfs/dbraw/zinc/87/79/91/437877991.db2.gz VCSYZMBIKFBYJW-UHFFFAOYSA-N 1 0 334.332 0.043 20 5 ECBDRO Cc1c(NC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000415889877 437878076 /nfs/dbraw/zinc/87/80/76/437878076.db2.gz GUOQMDUZFPAYPV-VXGBXAGGSA-N 1 0 332.360 0.910 20 5 ECBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000347253478 437860020 /nfs/dbraw/zinc/86/00/20/437860020.db2.gz ITVNQGSQHCMQMR-UHFFFAOYSA-N 1 0 339.396 0.948 20 5 ECBDRO CN1CCC([NH+]2CCC(CCNC(=O)[C@H]3C[C@@H]3[N+](=O)[O-])CC2)CC1 ZINC000371084435 437883602 /nfs/dbraw/zinc/88/36/02/437883602.db2.gz GZOZQXGGFNWQNE-HOTGVXAUSA-N 1 0 338.452 0.964 20 5 ECBDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2c([N+](=O)[O-])cnn2C)C[C@H](C)O1 ZINC000347428717 437888607 /nfs/dbraw/zinc/88/86/07/437888607.db2.gz MINIYLBZTWJCRR-TXEJJXNPSA-N 1 0 339.396 0.948 20 5 ECBDRO C[NH+](C)CC(=O)N1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000347438864 437890857 /nfs/dbraw/zinc/89/08/57/437890857.db2.gz WTWZERDYQMPFBE-UHFFFAOYSA-N 1 0 344.375 0.748 20 5 ECBDRO CC[N@H+](CCO)CCNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416466416 437940601 /nfs/dbraw/zinc/94/06/01/437940601.db2.gz QKPWCSARTBTJJN-UHFFFAOYSA-N 1 0 345.421 0.804 20 5 ECBDRO CC[C@H]([NH3+])CNC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000418020830 438100742 /nfs/dbraw/zinc/10/07/42/438100742.db2.gz OBUQFGUZPJFGQS-JTQLQIEISA-N 1 0 344.393 0.405 20 5 ECBDRO Cc1cc(S(=O)(=O)N2CCO[C@H](C[NH3+])C2)cc([N+](=O)[O-])c1F ZINC000372226386 438052502 /nfs/dbraw/zinc/05/25/02/438052502.db2.gz GQRYPCMZFXRQAM-SECBINFHSA-N 1 0 333.341 0.391 20 5 ECBDRO COCCC[N@@H+]1CCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000373099490 438130871 /nfs/dbraw/zinc/13/08/71/438130871.db2.gz NGCDPNPVJNJOHP-UHFFFAOYSA-N 1 0 338.364 0.880 20 5 ECBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@]2(O)CC[N@@H+](C)C2)c1C ZINC000358194866 438179462 /nfs/dbraw/zinc/17/94/62/438179462.db2.gz JLNWGUGCRVZHQB-CQSZACIVSA-N 1 0 343.405 0.557 20 5 ECBDRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418764451 438185526 /nfs/dbraw/zinc/18/55/26/438185526.db2.gz ALADAGJUXWPPMO-SMDDNHRTSA-N 1 0 334.376 0.982 20 5 ECBDRO C[C@@H](NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000418773401 438187472 /nfs/dbraw/zinc/18/74/72/438187472.db2.gz CHUNEHNFMMUOIR-LLVKDONJSA-N 1 0 334.376 0.982 20 5 ECBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418867314 438226016 /nfs/dbraw/zinc/22/60/16/438226016.db2.gz LYEDMISGGGBXLQ-CQSZACIVSA-N 1 0 348.403 0.759 20 5 ECBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000432517891 438198399 /nfs/dbraw/zinc/19/83/99/438198399.db2.gz IDLSGIKZRJCGCO-BXUZGUMPSA-N 1 0 349.391 0.508 20 5 ECBDRO C[C@H]1CCCN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000418923036 438250989 /nfs/dbraw/zinc/25/09/89/438250989.db2.gz LZNJQKBKSLEZKC-SWLSCSKDSA-N 1 0 348.403 0.839 20 5 ECBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000418928868 438253089 /nfs/dbraw/zinc/25/30/89/438253089.db2.gz ZWQWWBFGBHSRLF-WFASDCNBSA-N 1 0 348.403 0.982 20 5 ECBDRO O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419044219 438302256 /nfs/dbraw/zinc/30/22/56/438302256.db2.gz SSVZOJVHLGWOAO-CYBMUJFWSA-N 1 0 348.403 0.759 20 5 ECBDRO COc1ccc(OCC[N@@H+]2CC[C@@H]3C(=O)NC(=O)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000368639158 438358220 /nfs/dbraw/zinc/35/82/20/438358220.db2.gz SJXFVPUQESQMCF-RYUDHWBXSA-N 1 0 349.343 0.577 20 5 ECBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1C[C@H](O)C[C@H]1CO ZINC000352022995 438372734 /nfs/dbraw/zinc/37/27/34/438372734.db2.gz STFKPOYODNKEKV-NWDGAFQWSA-N 1 0 337.332 0.320 20 5 ECBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000352124404 438385261 /nfs/dbraw/zinc/38/52/61/438385261.db2.gz YBOPTIAYAILKNK-CQSZACIVSA-N 1 0 339.396 0.654 20 5 ECBDRO CN(C[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1)S(C)(=O)=O ZINC000352551209 438440558 /nfs/dbraw/zinc/44/05/58/438440558.db2.gz WMIHRGRKLUYTDR-GFCCVEGCSA-N 1 0 345.425 0.395 20 5 ECBDRO Cc1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000394092759 438443832 /nfs/dbraw/zinc/44/38/32/438443832.db2.gz DZVZIHOAMXUVGC-NSHDSACASA-N 1 0 328.394 0.085 20 5 ECBDRO CC[C@@H]([NH3+])CNS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000420449422 438409320 /nfs/dbraw/zinc/40/93/20/438409320.db2.gz XOXRSYFXSVPHIK-MRVPVSSYSA-N 1 0 331.350 0.397 20 5 ECBDRO COc1cc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)ccc1[N+](=O)[O-] ZINC000420450865 438409365 /nfs/dbraw/zinc/40/93/65/438409365.db2.gz PYYFMDKYAGBMFL-SKDRFNHKSA-N 1 0 327.362 0.586 20 5 ECBDRO Cc1n[nH]c(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1[N+](=O)[O-] ZINC000438284169 438475077 /nfs/dbraw/zinc/47/50/77/438475077.db2.gz YGWDRKDYNDPOAK-QJPTWQEYSA-N 1 0 337.380 0.950 20 5 ECBDRO CN1C(=O)[C@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000369452262 438476544 /nfs/dbraw/zinc/47/65/44/438476544.db2.gz NXLVKTUICYKRKQ-CQSZACIVSA-N 1 0 348.359 0.942 20 5 ECBDRO C[C@@H](O)CCC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420968949 438452754 /nfs/dbraw/zinc/45/27/54/438452754.db2.gz AVZKRHGMQBTPRO-GFCCVEGCSA-N 1 0 345.421 0.966 20 5 ECBDRO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000369781332 438513725 /nfs/dbraw/zinc/51/37/25/438513725.db2.gz DCEFLSSYGFYLIU-HIFRSBDPSA-N 1 0 349.395 0.525 20 5 ECBDRO CCn1cc(S(=O)(=O)NC[C@]2(C)CCC[NH2+]C2)c([N+](=O)[O-])n1 ZINC000440860197 438569715 /nfs/dbraw/zinc/56/97/15/438569715.db2.gz OAFFBLXOCIDPJS-GFCCVEGCSA-N 1 0 331.398 0.479 20 5 ECBDRO C[N@@H+](CC(=O)NCc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000440696201 438561501 /nfs/dbraw/zinc/56/15/01/438561501.db2.gz IIEWUOCCVODNHQ-OAHLLOKOSA-N 1 0 347.375 0.400 20 5 ECBDRO COc1c(F)cc(S(=O)(=O)NC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000451930775 438618302 /nfs/dbraw/zinc/61/83/02/438618302.db2.gz NVWAUYZMRUMCER-QMMMGPOBSA-N 1 0 335.357 0.971 20 5 ECBDRO C[C@@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]1 ZINC000422936407 438619046 /nfs/dbraw/zinc/61/90/46/438619046.db2.gz MIXCPOSLIYYOKE-BXUZGUMPSA-N 1 0 342.421 0.603 20 5 ECBDRO C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+](C2CC2)C1 ZINC000452172074 438647136 /nfs/dbraw/zinc/64/71/36/438647136.db2.gz ULEIMZRJPXQCNI-LBPRGKRZSA-N 1 0 334.376 0.699 20 5 ECBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[N@H+]1CCCO ZINC000452786380 438673177 /nfs/dbraw/zinc/67/31/77/438673177.db2.gz VAUALZCPURNCSL-CYBMUJFWSA-N 1 0 336.392 0.970 20 5 ECBDRO Nc1nccc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000548090842 438724334 /nfs/dbraw/zinc/72/43/34/438724334.db2.gz ROQWCIBKJXIRRQ-LLVKDONJSA-N 1 0 335.364 0.366 20 5 ECBDRO O=C1NCC[C@@]12CCC[N@H+]2C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000575811685 438756054 /nfs/dbraw/zinc/75/60/54/438756054.db2.gz CMBCCZCYGGRPAV-CJNGLKHVSA-N 1 0 335.360 0.689 20 5 ECBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000575936110 438761209 /nfs/dbraw/zinc/76/12/09/438761209.db2.gz LUWJTXMHSFPVRN-GXSJLCMTSA-N 1 0 338.751 0.632 20 5 ECBDRO COC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000497196699 438777606 /nfs/dbraw/zinc/77/76/06/438777606.db2.gz NSMIEFBDEWDDLA-MRVPVSSYSA-N 1 0 346.365 0.789 20 5 ECBDRO COc1ccc(CN2C(=O)N[C@@]3(CCC[NH2+]C3)C2=O)cc1[N+](=O)[O-] ZINC000514860298 438835652 /nfs/dbraw/zinc/83/56/52/438835652.db2.gz CIJDXPVDTGIWDF-OAHLLOKOSA-N 1 0 334.332 0.777 20 5 ECBDRO C[NH+](C)C[C@H](CO)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000588866689 438846246 /nfs/dbraw/zinc/84/62/46/438846246.db2.gz PWLFEVKGPGMPES-GFCCVEGCSA-N 1 0 333.348 0.433 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588863010 438846324 /nfs/dbraw/zinc/84/63/24/438846324.db2.gz NUMSCPMEDZWRNJ-QWHCGFSZSA-N 1 0 337.380 0.157 20 5 ECBDRO CCc1ccc(S(=O)(=O)NCC[NH2+]CCOC)cc1[N+](=O)[O-] ZINC000564970130 438897159 /nfs/dbraw/zinc/89/71/59/438897159.db2.gz DDZOIGQDDSFJAJ-UHFFFAOYSA-N 1 0 331.394 0.672 20 5 ECBDRO C[N@@H+]1C[C@H]2CCN(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)[C@H]2C1 ZINC000590011909 438897430 /nfs/dbraw/zinc/89/74/30/438897430.db2.gz MUZCOKDNWJRZIW-MFKMUULPSA-N 1 0 348.359 0.898 20 5 ECBDRO CN(C)C(=O)N(C)[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000595823964 438867286 /nfs/dbraw/zinc/86/72/86/438867286.db2.gz WEZGPNXKCNXSPU-LBPRGKRZSA-N 1 0 337.380 0.444 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000589925682 438890653 /nfs/dbraw/zinc/89/06/53/438890653.db2.gz OAEWFMQHIFTGAH-PWSUYJOCSA-N 1 0 341.389 0.928 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000589930341 438893460 /nfs/dbraw/zinc/89/34/60/438893460.db2.gz WNJSYQLDCBXNMB-MFKMUULPSA-N 1 0 341.389 0.928 20 5 ECBDRO Cc1c(C(=O)N[C@@]2(C)CC[NH2+]C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000595993131 438911019 /nfs/dbraw/zinc/91/10/19/438911019.db2.gz VYSZFBQWROAJFG-HNNXBMFYSA-N 1 0 330.348 0.966 20 5 ECBDRO COc1c(F)cc(S(=O)(=O)N[C@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000596048939 438919196 /nfs/dbraw/zinc/91/91/96/438919196.db2.gz GJRNXVNJROVFSG-GFCCVEGCSA-N 1 0 333.341 0.773 20 5 ECBDRO C[NH+]1CCN(c2ccc(CNc3ccc(N)c([N+](=O)[O-])n3)cn2)CC1 ZINC000596069099 438919869 /nfs/dbraw/zinc/91/98/69/438919869.db2.gz JTCYQNVXHFTCIU-UHFFFAOYSA-N 1 0 343.391 1.331 20 5 ECBDRO Cc1noc(CN2C(=O)N[C@@]3(CCCC[C@@H]3C[NH3+])C2=O)c1[N+](=O)[O-] ZINC000596071912 438923230 /nfs/dbraw/zinc/92/32/30/438923230.db2.gz VVVZHRVYEMNRNT-YMTOWFKASA-N 1 0 337.336 0.831 20 5 ECBDRO CN(C)S(=O)(=O)c1ccc(N2CC(C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000596248454 438947338 /nfs/dbraw/zinc/94/73/38/438947338.db2.gz XRYJBMXXFRMDBE-UHFFFAOYSA-N 1 0 342.421 0.843 20 5 ECBDRO CN1CC[NH+](CCCCNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000517091458 438950855 /nfs/dbraw/zinc/95/08/55/438950855.db2.gz BKJQQEQDXZTOKT-UHFFFAOYSA-N 1 0 338.412 0.325 20 5 ECBDRO COc1ccc(OCC[N@@H+]2CCC[C@@](O)(CO)C2)c([N+](=O)[O-])c1 ZINC000459651718 438985936 /nfs/dbraw/zinc/98/59/36/438985936.db2.gz VNMHUIMVCMVGIR-HNNXBMFYSA-N 1 0 326.349 0.801 20 5 ECBDRO Cc1ccc(NC(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000591299626 438999238 /nfs/dbraw/zinc/99/92/38/438999238.db2.gz OOTJXTCESGWXKT-GXFFZTMASA-N 1 0 336.348 0.416 20 5 ECBDRO CN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C[NH3+])C1 ZINC000579474679 439010994 /nfs/dbraw/zinc/01/09/94/439010994.db2.gz IRSYZVNHSRBWQJ-GFCCVEGCSA-N 1 0 326.784 0.892 20 5 ECBDRO Cn1ncc2ccc(C[NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)cc21 ZINC000566064331 439001058 /nfs/dbraw/zinc/00/10/58/439001058.db2.gz OMMMUMYXGFCLQC-CQSZACIVSA-N 1 0 330.348 0.829 20 5 ECBDRO CNc1ccc(C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000519700392 439054067 /nfs/dbraw/zinc/05/40/67/439054067.db2.gz FHUMCLDREPMPBG-JTQLQIEISA-N 1 0 337.380 0.433 20 5 ECBDRO CC1(C)C[NH2+][C@@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000591672864 439056735 /nfs/dbraw/zinc/05/67/35/439056735.db2.gz PATKGJCZRGGKOR-CQSZACIVSA-N 1 0 346.387 0.877 20 5 ECBDRO Cn1c2cc([N+](=O)[O-])c(N3CC[C@@H]4CC[NH2+][C@H]4C3)cc2n(C)c1=O ZINC000591436933 439015426 /nfs/dbraw/zinc/01/54/26/439015426.db2.gz DERJBUUJMPWJGQ-QWRGUYRKSA-N 1 0 331.376 0.973 20 5 ECBDRO 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439140573 /nfs/dbraw/zinc/14/05/73/439140573.db2.gz KJFNDJPZXIKKDL-GFCCVEGCSA-N 1 0 334.376 0.723 20 5 ECBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C[C@@H](O)CN3CCOCC3)nc2c1 ZINC000580947643 439151428 /nfs/dbraw/zinc/15/14/28/439151428.db2.gz JZZSBIWXRXOCAY-GFCCVEGCSA-N 1 0 335.364 0.254 20 5 ECBDRO [NH3+][C@H]1C[C@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)CCN2C1=O ZINC000581022679 439161548 /nfs/dbraw/zinc/16/15/48/439161548.db2.gz DRGRRVZGVGIBLK-UWVGGRQHSA-N 1 0 328.332 0.286 20 5 ECBDRO C[NH+]1CCC2(CC1)CN(CCn1cc([N+](=O)[O-])ccc1=O)CCO2 ZINC000592184252 439174002 /nfs/dbraw/zinc/17/40/02/439174002.db2.gz HOGJRLXLNSSZSI-UHFFFAOYSA-N 1 0 336.392 0.553 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC(C[NH+](C)C)C1 ZINC000597707921 439164518 /nfs/dbraw/zinc/16/45/18/439164518.db2.gz JTXJINFISZYGDU-NSHDSACASA-N 1 0 334.376 0.733 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000581569463 439227972 /nfs/dbraw/zinc/22/79/72/439227972.db2.gz DPDHNPRODQKILT-OAHLLOKOSA-N 1 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CC[NH2+]CCCNC(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000577368080 322832849 /nfs/dbraw/zinc/83/28/49/322832849.db2.gz CEURMYNUEDSJLF-UHFFFAOYSA-N 1 0 342.783 0.980 20 5 ECBDRO CNc1ccc(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1[N+](=O)[O-] ZINC000577508595 322837559 /nfs/dbraw/zinc/83/75/59/322837559.db2.gz KEIBZPBEAVNJBS-WDEREUQCSA-N 1 0 333.348 0.021 20 5 ECBDRO Cc1nn(C)c(N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000577714411 322843519 /nfs/dbraw/zinc/84/35/19/322843519.db2.gz QQQRUHOHBCXJSR-LBPRGKRZSA-N 1 0 336.396 0.285 20 5 ECBDRO CCCNC(=O)C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000159813318 528340166 /nfs/dbraw/zinc/34/01/66/528340166.db2.gz DEPBKGFKEUVARK-UHFFFAOYSA-N 1 0 336.392 0.995 20 5 ECBDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000237101016 536456947 /nfs/dbraw/zinc/45/69/47/536456947.db2.gz JOSVLOKZYZPGPP-RISCZKNCSA-N 1 0 334.376 0.924 20 5 ECBDRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000266904459 536888677 /nfs/dbraw/zinc/88/86/77/536888677.db2.gz JHXTUIPZKYQRIP-CHWSQXEVSA-N 1 0 339.396 0.654 20 5 ECBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000186894179 545900079 /nfs/dbraw/zinc/90/00/79/545900079.db2.gz AYWJAOZEFHQYRD-NSHDSACASA-N 1 0 325.369 0.095 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000619253617 546311954 /nfs/dbraw/zinc/31/19/54/546311954.db2.gz BEJNFIIMNVMIJW-CQSZACIVSA-N 1 0 325.369 0.015 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCOCC[NH+](C)C ZINC000619496314 546334768 /nfs/dbraw/zinc/33/47/68/546334768.db2.gz RMXQLQAJAJKGBT-UHFFFAOYSA-N 1 0 347.393 0.460 20 5 ECBDRO COc1ccc(C[NH2+]C2CC(NS(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000619747997 546365765 /nfs/dbraw/zinc/36/57/65/546365765.db2.gz NSMZANBHMGQSBZ-UHFFFAOYSA-N 1 0 329.378 0.773 20 5 ECBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@@H]1C ZINC000736145488 578411013 /nfs/dbraw/zinc/41/10/13/578411013.db2.gz CDXOIEYWEZDJBJ-WDEREUQCSA-N 1 0 347.379 0.666 20 5 ECBDRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000786867469 578795962 /nfs/dbraw/zinc/79/59/62/578795962.db2.gz ZEVQFJDKJVIMQF-NSHDSACASA-N 1 0 349.391 0.494 20 5 ECBDRO COC(=O)C[C@]1([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)CCCOC1 ZINC000770709543 579174553 /nfs/dbraw/zinc/17/45/53/579174553.db2.gz PRSLAYFOFXKNEH-OAHLLOKOSA-N 1 0 339.348 0.458 20 5 ECBDRO COCC(=O)NC1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776275812 579279562 /nfs/dbraw/zinc/27/95/62/579279562.db2.gz ICOATCLULXERGE-HNNXBMFYSA-N 1 0 337.376 0.855 20 5 ECBDRO C[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000761104186 579521859 /nfs/dbraw/zinc/52/18/59/579521859.db2.gz CHAUSEQHXGYKKO-CJNGLKHVSA-N 1 0 348.403 0.699 20 5 ECBDRO CNC(=O)c1ccc(N2CC[NH+](CCCCO)CC2)c([N+](=O)[O-])c1 ZINC000741748377 579777020 /nfs/dbraw/zinc/77/70/20/579777020.db2.gz GFRRDSJPDPXPHP-UHFFFAOYSA-N 1 0 336.392 0.849 20 5 ECBDRO COc1ccc([C@H](O)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000743259676 579796093 /nfs/dbraw/zinc/79/60/93/579796093.db2.gz JUKOYLCUBHSMJX-UKRRQHHQSA-N 1 0 336.348 0.484 20 5 ECBDRO C[C@@H](C[NH3+])NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000842783151 588916715 /nfs/dbraw/zinc/91/67/15/588916715.db2.gz TWJONJRPWHJALA-LURJTMIESA-N 1 0 338.183 0.983 20 5 ECBDRO Cn1cc(C[C@H](CO)C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000843111545 589051184 /nfs/dbraw/zinc/05/11/84/589051184.db2.gz GEAJIZPRTYKGFV-BBRMVZONSA-N 1 0 334.376 0.803 20 5 ECBDRO C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000900803932 586664856 /nfs/dbraw/zinc/66/48/56/586664856.db2.gz LGWHPVBDYPTAAU-IUODEOHRSA-N 1 0 335.408 0.757 20 5 ECBDRO COC[C@@H]1C[NH2+]CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000903883750 586823373 /nfs/dbraw/zinc/82/33/73/586823373.db2.gz YZIMNMJKKIDYJS-QWHCGFSZSA-N 1 0 325.365 0.255 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000843456281 589068203 /nfs/dbraw/zinc/06/82/03/589068203.db2.gz KSOCGOCJLSIAQN-UHFFFAOYSA-N 1 0 333.352 0.859 20 5 ECBDRO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839715152 586890036 /nfs/dbraw/zinc/89/00/36/586890036.db2.gz OEWPLJZHFWZZGP-MGPQQGTHSA-N 1 0 341.408 0.918 20 5 ECBDRO O=C(NCC1(O)CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839879822 586959619 /nfs/dbraw/zinc/95/96/19/586959619.db2.gz SGFVGXYIRASNJU-HUUCEWRRSA-N 1 0 333.388 0.795 20 5 ECBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000808160634 587146245 /nfs/dbraw/zinc/14/62/45/587146245.db2.gz QYUYFIDMEHWRJH-UWVGGRQHSA-N 1 0 338.339 0.597 20 5 ECBDRO C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000808174708 587147474 /nfs/dbraw/zinc/14/74/74/587147474.db2.gz OHKKAOZOUGAMIB-HZMBPMFUSA-N 1 0 336.348 0.127 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2cccnc2-n2ccnc2)c1 ZINC000818947947 587461651 /nfs/dbraw/zinc/46/16/51/587461651.db2.gz VEPKZQUZGBHNFT-CQSZACIVSA-N 1 0 343.347 0.523 20 5 ECBDRO CCS(=O)(=O)CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000819010630 587464209 /nfs/dbraw/zinc/46/42/09/587464209.db2.gz IJBMXGYHCNRPCU-NSHDSACASA-N 1 0 332.378 0.359 20 5 ECBDRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)O1 ZINC000819208884 587472162 /nfs/dbraw/zinc/47/21/62/587472162.db2.gz STDYKXLDBFULDE-ZNMIVQPWSA-N 1 0 337.376 0.854 20 5 ECBDRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)O1 ZINC000819208882 587472201 /nfs/dbraw/zinc/47/22/01/587472201.db2.gz STDYKXLDBFULDE-KFWWJZLASA-N 1 0 337.376 0.854 20 5 ECBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000819822464 587492418 /nfs/dbraw/zinc/49/24/18/587492418.db2.gz BLKMYNNLCIUZIT-LBPRGKRZSA-N 1 0 336.392 0.847 20 5 ECBDRO C[NH+](C)CC1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000821583465 587602604 /nfs/dbraw/zinc/60/26/04/587602604.db2.gz WMJYZAKRPPJVMA-UHFFFAOYSA-N 1 0 332.368 0.948 20 5 ECBDRO O=C([C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000824302753 587866822 /nfs/dbraw/zinc/86/68/22/587866822.db2.gz DECYCEBJPLKEPC-JJXSEGSLSA-N 1 0 331.372 0.976 20 5 ECBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000826695619 588079131 /nfs/dbraw/zinc/07/91/31/588079131.db2.gz PONBNCTVXLMYSL-CYBMUJFWSA-N 1 0 339.396 0.669 20 5 ECBDRO C[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846188757 589190809 /nfs/dbraw/zinc/19/08/09/589190809.db2.gz PFHQADAWGBYDQD-GXSJLCMTSA-N 1 0 328.394 0.862 20 5 ECBDRO O=C1CCc2cc([N+](=O)[O-])c(N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)cc2N1 ZINC000848767127 589310190 /nfs/dbraw/zinc/31/01/90/589310190.db2.gz FDNQBSMOFXDGJD-NWDGAFQWSA-N 1 0 332.360 0.735 20 5 ECBDRO [NH3+]C[C@H]1CC(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)=NO1 ZINC000852861074 589519032 /nfs/dbraw/zinc/51/90/32/589519032.db2.gz OBAFYMSMSCHWJH-CYBMUJFWSA-N 1 0 333.348 0.347 20 5 ECBDRO COC(=O)N(C)CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000853118920 589532506 /nfs/dbraw/zinc/53/25/06/589532506.db2.gz QUSGBSRAHNZDDU-UHFFFAOYSA-N 1 0 345.377 0.656 20 5 ECBDRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000854353879 589581081 /nfs/dbraw/zinc/58/10/81/589581081.db2.gz ILERFSBXGVLXKK-LSDHHAIUSA-N 1 0 334.376 0.134 20 5 ECBDRO C[NH+](C)CCONC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000854947144 589614163 /nfs/dbraw/zinc/61/41/63/589614163.db2.gz HUTNYYYQQYPDBB-UHFFFAOYSA-N 1 0 331.350 0.221 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000859053144 589796271 /nfs/dbraw/zinc/79/62/71/589796271.db2.gz XBTJZRQJHZOHLE-NXEZZACHSA-N 1 0 331.398 0.479 20 5 ECBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000868089679 589873294 /nfs/dbraw/zinc/87/32/94/589873294.db2.gz UPLFJGDFOUJZQL-CYBMUJFWSA-N 1 0 336.367 0.783 20 5 ECBDRO CON(C)C(=O)[C@@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000863587608 590025313 /nfs/dbraw/zinc/02/53/13/590025313.db2.gz ZOPPURIHHCLPFK-PWSUYJOCSA-N 1 0 327.337 0.332 20 5 ECBDRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000876471018 590378445 /nfs/dbraw/zinc/37/84/45/590378445.db2.gz KGMKJQUTEIJKFA-HNNXBMFYSA-N 1 0 340.380 0.353 20 5 ECBDRO O=C(NC[C@@H]1COCC[NH2+]1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000877039785 590435719 /nfs/dbraw/zinc/43/57/19/590435719.db2.gz JDPGWQWRGNAFCM-GFCCVEGCSA-N 1 0 334.376 0.913 20 5 ECBDRO Cn1nccc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589216 611356677 /nfs/dbraw/zinc/35/66/77/611356677.db2.gz MEWPIWFWABAYJM-OCVGTWLNSA-N 1 0 347.419 0.756 20 5 ECBDRO COc1ccc(OCCN2CC[N@H+](C)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000931406620 611536974 /nfs/dbraw/zinc/53/69/74/611536974.db2.gz BTFUXPKMTZWIKF-GFCCVEGCSA-N 1 0 325.365 0.591 20 5 ECBDRO O=C(CN1CCNCC[NH2+]CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000923465580 611246395 /nfs/dbraw/zinc/24/63/95/611246395.db2.gz IPJVBONIKUHSCW-UHFFFAOYSA-N 1 0 341.799 0.682 20 5 ECBDRO CN(CC[NH3+])S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000842486019 611313536 /nfs/dbraw/zinc/31/35/36/611313536.db2.gz SERIWWNDIXQGPP-UHFFFAOYSA-N 1 0 338.183 0.937 20 5 ECBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000933546318 611732925 /nfs/dbraw/zinc/73/29/25/611732925.db2.gz PWCDPZYBBHZFNY-CYBMUJFWSA-N 1 0 337.380 0.280 20 5 ECBDRO CN(C)/C=C\c1cc(N2CCN3CC[NH2+]C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164406678 718838774 /nfs/dbraw/zinc/83/87/74/718838774.db2.gz UDTRAYUPIFFDQY-PKXJPQMGSA-N 1 0 332.408 0.616 20 5 ECBDRO C[C@@H]1CN(C)[C@@H](C)CN1c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001164640718 719167187 /nfs/dbraw/zinc/16/71/87/719167187.db2.gz VPMSOPWHAZZLBC-NWDGAFQWSA-N 1 0 335.412 0.323 20 5 ECBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC001164668936 719483065 /nfs/dbraw/zinc/48/30/65/719483065.db2.gz RQMHWXZOBGPIIH-WDEREUQCSA-N 1 0 336.352 0.171 20 5 ECBDRO O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CC[C@H]2OCC[C@H]2C1 ZINC001167214225 733057801 /nfs/dbraw/zinc/05/78/01/733057801.db2.gz MQKAGLNTADCLDA-NWDGAFQWSA-N 1 0 334.380 0.410 20 5 ECBDRO O=C(N(CCO)CCNc1ccc([N+](=O)[O-])cc1)C12CC[NH+](CC1)C2 ZINC001111490614 735608793 /nfs/dbraw/zinc/60/87/93/735608793.db2.gz PMORQUCLZHXLIC-UHFFFAOYSA-N 1 0 348.403 0.923 20 5 ECBDRO CCn1ccc(C(=O)NCCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)n1 ZINC001167635701 736186861 /nfs/dbraw/zinc/18/68/61/736186861.db2.gz NSWOXYYIBUQAJC-UHFFFAOYSA-N 1 0 335.368 0.454 20 5 ECBDRO Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)n1 ZINC001025775925 739944932 /nfs/dbraw/zinc/94/49/32/739944932.db2.gz QXKDQXWJBLGKFY-LJIZCISZSA-N 1 0 330.388 0.910 20 5 ECBDRO COCCN(CCNC(=O)CC[NH+](C)C)c1ncccc1[N+](=O)[O-] ZINC001126498957 745255248 /nfs/dbraw/zinc/25/52/48/745255248.db2.gz RUPVMMXMUBNQTG-UHFFFAOYSA-N 1 0 339.396 0.511 20 5 ECBDRO Cc1n[nH]cc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000984499467 746519668 /nfs/dbraw/zinc/51/96/68/746519668.db2.gz VLJTYBBGGRHZEI-XYPYZODXSA-N 1 0 347.379 0.658 20 5 ECBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC001168060939 747639977 /nfs/dbraw/zinc/63/99/77/747639977.db2.gz UQJXXALCGGTADN-UHFFFAOYSA-N 1 0 345.425 0.456 20 5 ECBDRO Cc1nccnc1C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985434766 748007027 /nfs/dbraw/zinc/00/70/27/748007027.db2.gz UPECLXKSMXMCFK-UKRRQHHQSA-N 1 0 333.392 0.873 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC(NC(=O)c2cnon2)CC1 ZINC001003821164 748939867 /nfs/dbraw/zinc/93/98/67/748939867.db2.gz XNEPAZSUSCUJEH-UHFFFAOYSA-N 1 0 335.324 0.106 20 5 ECBDRO Nc1nc(N[C@H]2C[C@@H](NC(=O)C[NH+]3CCCC3)C2)ncc1[N+](=O)[O-] ZINC001059649462 749116950 /nfs/dbraw/zinc/11/69/50/749116950.db2.gz DMKSIDOUHLXRNZ-AOOOYVTPSA-N 1 0 335.368 0.122 20 5 ECBDRO CN(C)C(=O)CC(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001167803441 749158599 /nfs/dbraw/zinc/15/85/99/749158599.db2.gz SMSHZLKKKCAIGG-UHFFFAOYSA-N 1 0 328.394 0.731 20 5 ECBDRO O=C(Cc1nc[nH]n1)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001020903909 752315140 /nfs/dbraw/zinc/31/51/40/752315140.db2.gz HOEOHTRFKPRAHJ-HAQNSBGRSA-N 1 0 330.348 0.692 20 5 ECBDRO O=C(Cn1cncn1)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001021019048 752438968 /nfs/dbraw/zinc/43/89/68/752438968.db2.gz HQENVXJBXRYALS-JOCQHMNTSA-N 1 0 330.348 0.623 20 5 ECBDRO CN(C)C(=O)c1ccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001126938532 756801710 /nfs/dbraw/zinc/80/17/10/756801710.db2.gz CVHDKSWUODQXEE-ZIAGYGMSSA-N 1 0 334.376 0.259 20 5 ECBDRO CN(C)c1cc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)ccn1 ZINC000996428463 757653919 /nfs/dbraw/zinc/65/39/19/757653919.db2.gz FFHQGNHVLPFWTB-HUUCEWRRSA-N 1 0 347.419 0.893 20 5 ECBDRO Cn1nc(C2CC2)nc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001022063852 758226239 /nfs/dbraw/zinc/22/62/39/758226239.db2.gz MTFUBBYCSABHEM-WRWGMCAJSA-N 1 0 334.380 0.095 20 5 ECBDRO O=C(Cn1nccn1)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001022141063 758328598 /nfs/dbraw/zinc/32/85/98/758328598.db2.gz ATOQEKHFJDJEHH-PHIMTYICSA-N 1 0 336.377 0.685 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)c2nccs2)C1 ZINC001022881227 759242870 /nfs/dbraw/zinc/24/28/70/759242870.db2.gz GUCJFVXFFARAJU-DTORHVGOSA-N 1 0 336.377 0.835 20 5 ECBDRO NC(=[NH2+])c1nccn1-c1cc([N+](=O)[O-])cc(Br)[n+]1[O-] ZINC001168418209 764345034 /nfs/dbraw/zinc/34/50/34/764345034.db2.gz WIMWJYGFIVINFU-UHFFFAOYSA-N 1 0 327.098 0.460 20 5 ECBDRO O=C(C[NH+]1CCCC1)N[C@@H]1[C@H]2CN(c3cc[nH]c(=O)c3[N+](=O)[O-])C[C@H]21 ZINC001060415743 765046294 /nfs/dbraw/zinc/04/62/94/765046294.db2.gz RWFUXWGDOIHOHQ-YABSGUDNSA-N 1 0 347.375 0.342 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)C1(C)CCOCC1 ZINC001168459065 767541404 /nfs/dbraw/zinc/54/14/04/767541404.db2.gz YAARBNNDMMZTHT-UHFFFAOYSA-N 1 0 339.396 0.741 20 5 ECBDRO Cc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)no1 ZINC001019967479 772046258 /nfs/dbraw/zinc/04/62/58/772046258.db2.gz NCMUELSNIBLBNA-MGCOHNPYSA-N 1 0 334.336 0.675 20 5 ECBDRO COc1ncc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(C)n1 ZINC001020138941 772205477 /nfs/dbraw/zinc/20/54/77/772205477.db2.gz JADVJNIMZALNOC-FDYHWXHSSA-N 1 0 335.364 0.196 20 5 ECBDRO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)C[NH+](CC)CC)C1 ZINC001079743862 776787797 /nfs/dbraw/zinc/78/77/97/776787797.db2.gz JBMRVLLCYPUYFM-CHWSQXEVSA-N 1 0 326.397 0.053 20 5 ECBDRO CCC[N@H+](C)CCC(=O)N(CC)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001080189347 777522808 /nfs/dbraw/zinc/52/28/08/777522808.db2.gz PDHDPONABUCWGP-ZIAGYGMSSA-N 1 0 340.424 0.443 20 5 ECBDRO CCC[N@H+](C)CC(=O)N(CC)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001080192574 777532284 /nfs/dbraw/zinc/53/22/84/777532284.db2.gz TVXXZVFULMAGJI-CHWSQXEVSA-N 1 0 326.397 0.053 20 5 ECBDRO CCN(C(=O)CC[N@H+](C)CC)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001080533897 777977150 /nfs/dbraw/zinc/97/71/50/777977150.db2.gz XXDSMEICQDDANJ-CHWSQXEVSA-N 1 0 326.397 0.053 20 5 ECBDRO C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000428453629 210261677 /nfs/dbraw/zinc/26/16/77/210261677.db2.gz GLAFABJRYMSECW-GHMZBOCLSA-N 1 0 336.348 0.613 20 5 ECBDRO O=C(CN1CC[C@@H]2[NH2+]CC[C@@H]2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000428050467 210240415 /nfs/dbraw/zinc/24/04/15/210240415.db2.gz SNSUEFWSWIFXDG-MNOVXSKESA-N 1 0 348.359 0.946 20 5 ECBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCCN2CCC([NH+](C)C)CC2)n1 ZINC000427636792 210210991 /nfs/dbraw/zinc/21/09/91/210210991.db2.gz MJYLDWWZWQUWOG-UHFFFAOYSA-N 1 0 338.412 0.567 20 5 ECBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)n1 ZINC000427620831 210209986 /nfs/dbraw/zinc/20/99/86/210209986.db2.gz KMICFLWATVUTQP-UHFFFAOYSA-N 1 0 339.396 0.776 20 5 ECBDRO CN(C1CC([NH3+])C1)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000420469469 282336983 /nfs/dbraw/zinc/33/69/83/282336983.db2.gz PMJIUYPIIVJZFG-UHFFFAOYSA-N 1 0 343.361 0.476 20 5 ECBDRO CNS(=O)(=O)CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447595800 290758185 /nfs/dbraw/zinc/75/81/85/290758185.db2.gz ATXFCLNSLAINGL-WDEREUQCSA-N 1 0 331.398 0.414 20 5 ECBDRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423721597 209811943 /nfs/dbraw/zinc/81/19/43/209811943.db2.gz IUXGFUQOCSNKJC-LBPRGKRZSA-N 1 0 346.347 0.668 20 5 ECBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423673488 209798217 /nfs/dbraw/zinc/79/82/17/209798217.db2.gz BTSJXFILCDZTQJ-OKILXGFUSA-N 1 0 346.387 0.274 20 5 ECBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)C[NH+]1CCN(C)CC1 ZINC000184403405 235388864 /nfs/dbraw/zinc/38/88/64/235388864.db2.gz NSFHBONQGGNWRT-LBPRGKRZSA-N 1 0 335.408 0.790 20 5 ECBDRO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)Cn3cc([N+](=O)[O-])nc3C)[C@@H]2C1 ZINC000355345236 299241604 /nfs/dbraw/zinc/24/16/04/299241604.db2.gz MZWPJADGNPZICV-OLZOCXBDSA-N 1 0 337.380 0.421 20 5 ECBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000186787642 236020608 /nfs/dbraw/zinc/02/06/08/236020608.db2.gz CHMPAZLYRJZCQP-GXFFZTMASA-N 1 0 330.348 0.903 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000186935947 236070600 /nfs/dbraw/zinc/07/06/00/236070600.db2.gz KAOFJZVQGRBXCC-NWDGAFQWSA-N 1 0 339.396 0.403 20 5 ECBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)NC[C@@H]2C[NH2+]CCCO2)cc1 ZINC000420458889 209371558 /nfs/dbraw/zinc/37/15/58/209371558.db2.gz QBPVODXYOOYMPO-AWEZNQCLSA-N 1 0 343.405 0.435 20 5 ECBDRO C[NH2+]CCCN(C)S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000420471982 209373120 /nfs/dbraw/zinc/37/31/20/209373120.db2.gz QYAPLVAFZSDJKU-UHFFFAOYSA-N 1 0 335.357 0.973 20 5 ECBDRO C[C@@H](C[NH3+])CNC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000419936521 209254702 /nfs/dbraw/zinc/25/47/02/209254702.db2.gz DPHGBYCZDDUECI-NSHDSACASA-N 1 0 334.376 0.797 20 5 ECBDRO O=C(NC[C@H]1CC[NH2+]C1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000419918973 209248742 /nfs/dbraw/zinc/24/87/42/209248742.db2.gz KPXYFNDGSKXGTJ-NSHDSACASA-N 1 0 332.360 0.205 20 5 ECBDRO [NH3+][C@@H](CNC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000419873081 209233242 /nfs/dbraw/zinc/23/32/42/209233242.db2.gz USVYMKCSFYGSPA-AWEZNQCLSA-N 1 0 348.359 0.038 20 5 ECBDRO [NH3+][C@H](CNC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000419854570 209226484 /nfs/dbraw/zinc/22/64/84/209226484.db2.gz BSSQRKVAAZVTIR-CQSZACIVSA-N 1 0 332.360 0.333 20 5 ECBDRO C[NH+](C)C[C@](C)(O)CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000132930882 223374407 /nfs/dbraw/zinc/37/44/07/223374407.db2.gz MQPJVLHKKXOQDZ-CYBMUJFWSA-N 1 0 331.394 0.723 20 5 ECBDRO Cc1c(CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000419757860 209198532 /nfs/dbraw/zinc/19/85/32/209198532.db2.gz JCUAWGRKKAEPNN-CYBMUJFWSA-N 1 0 334.376 0.778 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cccc1[N+](=O)[O-] ZINC000419759349 209198290 /nfs/dbraw/zinc/19/82/90/209198290.db2.gz LYTXVUJKUHBXQA-KGLIPLIRSA-N 1 0 346.387 0.872 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000419754143 209197379 /nfs/dbraw/zinc/19/73/79/209197379.db2.gz BMBPILVYTBOGBQ-YPMHNXCESA-N 1 0 334.376 0.715 20 5 ECBDRO C[C@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)[C@@H](C)C[NH2+]1 ZINC000356366630 299381558 /nfs/dbraw/zinc/38/15/58/299381558.db2.gz LIVMYAFTUQFNHI-QWRGUYRKSA-N 1 0 348.359 0.529 20 5 ECBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)NCCCN2CC[NH2+]CC2)cc1 ZINC000237969516 242877853 /nfs/dbraw/zinc/87/78/53/242877853.db2.gz BAXQPANSHNEZSV-UHFFFAOYSA-N 1 0 342.421 0.310 20 5 ECBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000262846540 245210523 /nfs/dbraw/zinc/21/05/23/245210523.db2.gz RTQWJGJGSMEGIH-ZWNOBZJWSA-N 1 0 330.348 0.903 20 5 ECBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000262845700 245210077 /nfs/dbraw/zinc/21/00/77/245210077.db2.gz RTQWJGJGSMEGIH-GXFFZTMASA-N 1 0 330.348 0.903 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000110865260 220073138 /nfs/dbraw/zinc/07/31/38/220073138.db2.gz GDBVVTKHIRJJHR-UHFFFAOYSA-N 1 0 338.412 0.196 20 5 ECBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449712884 211293773 /nfs/dbraw/zinc/29/37/73/211293773.db2.gz UTZIERWYPZILRR-AWEZNQCLSA-N 1 0 345.359 0.889 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000449609251 211286672 /nfs/dbraw/zinc/28/66/72/211286672.db2.gz BATQGEIZOGNRGL-KWQFWETISA-N 1 0 344.318 0.812 20 5 ECBDRO CC[C@@H]([NH3+])CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000449606189 211285840 /nfs/dbraw/zinc/28/58/40/211285840.db2.gz PPVPKRWXZFQNKR-SNVBAGLBSA-N 1 0 344.393 0.117 20 5 ECBDRO COc1cc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000447247139 211177242 /nfs/dbraw/zinc/17/72/42/211177242.db2.gz IILYWZHDWXEBPK-ZJUUUORDSA-N 1 0 329.378 0.961 20 5 ECBDRO C[NH+](C)C1CN(C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)C1 ZINC000444310681 211068833 /nfs/dbraw/zinc/06/88/33/211068833.db2.gz HISIMPFZYMPCND-UHFFFAOYSA-N 1 0 346.343 0.634 20 5 ECBDRO COC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2F)CC[N@H+](C)C1 ZINC000413511531 208337922 /nfs/dbraw/zinc/33/79/22/208337922.db2.gz ZTPAAXJUNCYYSS-VIFPVBQESA-N 1 0 326.328 0.857 20 5 ECBDRO C[C@@H](C[NH3+])N(C)C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000429335558 210312607 /nfs/dbraw/zinc/31/26/07/210312607.db2.gz YMVDBCZEPMOVPC-JTQLQIEISA-N 1 0 344.393 0.069 20 5 ECBDRO C[NH2+]CCN(C)C(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000418807313 208855755 /nfs/dbraw/zinc/85/57/55/208855755.db2.gz KIZJZQJMJJPUAH-UHFFFAOYSA-N 1 0 342.783 0.585 20 5 ECBDRO C[C@H](NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000419149190 209001601 /nfs/dbraw/zinc/00/16/01/209001601.db2.gz KRDYHAYGRGCSBS-UTUOFQBUSA-N 1 0 334.376 0.981 20 5 ECBDRO C[C@H](NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1[N+](=O)[O-] ZINC000419154568 209004677 /nfs/dbraw/zinc/00/46/77/209004677.db2.gz RSOXHJMDEBKXMZ-SJCJKPOMSA-N 1 0 346.387 0.984 20 5 ECBDRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000496039872 255064990 /nfs/dbraw/zinc/06/49/90/255064990.db2.gz BUKUVYQWXLJKBU-CQSZACIVSA-N 1 0 343.384 0.657 20 5 ECBDRO CC[C@@H]([NH3+])CNS(=O)(=O)c1ccc(NC(=O)OC)c([N+](=O)[O-])c1 ZINC000496263360 255085926 /nfs/dbraw/zinc/08/59/26/255085926.db2.gz LQOZTHDFXDKSRQ-MRVPVSSYSA-N 1 0 346.365 0.789 20 5 ECBDRO COC(=O)Nc1ccc(S(=O)(=O)N[C@H]2C[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000496558628 255110292 /nfs/dbraw/zinc/11/02/92/255110292.db2.gz JGVRTWIOZIOCGI-ZKCHVHJHSA-N 1 0 344.349 0.541 20 5 ECBDRO [NH3+][C@@H](CNC(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000419172585 209011404 /nfs/dbraw/zinc/01/14/04/209011404.db2.gz ZMQHTYVAAPOKAG-LBPRGKRZSA-N 1 0 340.767 0.718 20 5 ECBDRO Cc1n[nH]cc1C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000116922487 221011247 /nfs/dbraw/zinc/01/12/47/221011247.db2.gz HAWIBQIFDUTNBR-UHFFFAOYSA-N 1 0 339.377 0.694 20 5 ECBDRO COc1cc(C(=O)NC[C@](C)(O)C[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000189721190 165014447 /nfs/dbraw/zinc/01/44/47/165014447.db2.gz CUULWUJTNVTONH-HNNXBMFYSA-N 1 0 325.365 0.954 20 5 ECBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000247647762 165165507 /nfs/dbraw/zinc/16/55/07/165165507.db2.gz VVIXJODOWUFMMT-TZMCWYRMSA-N 1 0 336.396 0.917 20 5 ECBDRO COC(=O)[C@H](C)[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000248802299 165186875 /nfs/dbraw/zinc/18/68/75/165186875.db2.gz QOEIZRSAJIAUSX-GWCFXTLKSA-N 1 0 326.353 0.568 20 5 ECBDRO COc1cc(S(=O)(=O)N2CC[C@](C)(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000261864190 165253512 /nfs/dbraw/zinc/25/35/12/165253512.db2.gz SMHWVOMLDXEUMD-CYBMUJFWSA-N 1 0 329.378 0.963 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261872451 165255016 /nfs/dbraw/zinc/25/50/16/165255016.db2.gz LNQQRKCJTHCAAJ-WDEREUQCSA-N 1 0 341.389 0.833 20 5 ECBDRO 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339.352 0.323 20 5 ECBDRO CC(C)c1n[nH]c(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000285839918 264343724 /nfs/dbraw/zinc/34/37/24/264343724.db2.gz PTLOWLFDYXNGIZ-WDEREUQCSA-N 1 0 337.380 0.986 20 5 ECBDRO CN(C)S(=O)(=O)NCC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000291519807 264706022 /nfs/dbraw/zinc/70/60/22/264706022.db2.gz YXXZRQXTULHPLY-FNORWQNLSA-N 1 0 328.394 0.594 20 5 ECBDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000423615900 277276229 /nfs/dbraw/zinc/27/62/29/277276229.db2.gz RKYGUGQWWBZLER-ZDUSSCGKSA-N 1 0 334.376 0.764 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000262755891 277389980 /nfs/dbraw/zinc/38/99/80/277389980.db2.gz HTZZQSNMJUKBQA-NXEZZACHSA-N 1 0 329.378 0.974 20 5 ECBDRO CN(CC(=O)NCC[N@@H+]1CCCOCC1)c1ccccc1[N+](=O)[O-] ZINC000189444096 437600232 /nfs/dbraw/zinc/60/02/32/437600232.db2.gz OJLUSRMLLUUVDQ-UHFFFAOYSA-N 1 0 336.392 0.870 20 5 ECBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000419045429 279635829 /nfs/dbraw/zinc/63/58/29/279635829.db2.gz WMCSAEHEKONNPC-KBPBESRZSA-N 1 0 348.403 0.887 20 5 ECBDRO Cc1c([C@H]2OCC[C@@H]2[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cnn1C ZINC000431976513 280257881 /nfs/dbraw/zinc/25/78/81/280257881.db2.gz DUWHFVNEGABNDS-GOEBONIOSA-N 1 0 347.375 0.918 20 5 ECBDRO C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC[NH2+]1 ZINC000332520241 297047915 /nfs/dbraw/zinc/04/79/15/297047915.db2.gz BYXFRJIPDLYXQW-OLZOCXBDSA-N 1 0 348.407 0.962 20 5 ECBDRO [NH3+][C@@H]1CCCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000262753726 295302329 /nfs/dbraw/zinc/30/23/29/295302329.db2.gz ONCWYQFJCNHBFV-SECBINFHSA-N 1 0 343.361 0.478 20 5 ECBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343768326 297927883 /nfs/dbraw/zinc/92/78/83/297927883.db2.gz OPXRQMSYJPXJKB-YHWZYXNKSA-N 1 0 346.387 0.938 20 5 ECBDRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 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YYFGZRBGHIHCBW-MRVPVSSYSA-N 1 0 345.377 0.705 20 5 ECBDRO CN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362115300 300164026 /nfs/dbraw/zinc/16/40/26/300164026.db2.gz CDIOCSMFCAGZMY-GFCCVEGCSA-N 1 0 336.396 0.558 20 5 ECBDRO CC(C)(C)NC(=O)CN1CCCN(C(=O)[C@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000363086726 300244916 /nfs/dbraw/zinc/24/49/16/300244916.db2.gz GJGZPEROYGIFOL-NWDGAFQWSA-N 1 0 326.397 0.101 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H](n3cncn3)C2)c1 ZINC000364510841 300363067 /nfs/dbraw/zinc/36/30/67/300363067.db2.gz YFLKLUQIILCALC-KBPBESRZSA-N 1 0 333.348 0.873 20 5 ECBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCO[C@H](C[NH3+])C2)c1 ZINC000366935768 300583044 /nfs/dbraw/zinc/58/30/44/300583044.db2.gz KJGWITJKVARFMD-SECBINFHSA-N 1 0 349.796 0.905 20 5 ECBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)n1 ZINC000370058897 300791589 /nfs/dbraw/zinc/79/15/89/300791589.db2.gz CJAQHBCHSDABCA-AWEZNQCLSA-N 1 0 339.396 0.121 20 5 ECBDRO CC(C)C[N@@H+](CC(N)=O)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026128181 436161102 /nfs/dbraw/zinc/16/11/02/436161102.db2.gz UTXAYJNEVXAZQN-CYBMUJFWSA-N 1 0 325.365 0.778 20 5 ECBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000375986500 301225351 /nfs/dbraw/zinc/22/53/51/301225351.db2.gz DYLVORPCXNRBEA-CABCVRRESA-N 1 0 343.343 0.593 20 5 ECBDRO O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000377395787 301347374 /nfs/dbraw/zinc/34/73/74/301347374.db2.gz AQDWZHSCSMNBEU-IINYFYTJSA-N 1 0 328.332 0.609 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000390125188 301452164 /nfs/dbraw/zinc/45/21/64/301452164.db2.gz OVCJVSCYQQMPDE-LLVKDONJSA-N 1 0 345.377 0.260 20 5 ECBDRO CC[NH+]1CCN(CCNC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000042590082 436309085 /nfs/dbraw/zinc/30/90/85/436309085.db2.gz LZTPITFKQBTAFS-UHFFFAOYSA-N 1 0 336.392 0.727 20 5 ECBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000080596552 436321957 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302459168 /nfs/dbraw/zinc/45/91/68/302459168.db2.gz ZPUGISHOHCBJLF-CYBMUJFWSA-N 1 0 348.403 0.969 20 5 ECBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(S(N)(=O)=O)c1 ZINC000272868247 436723841 /nfs/dbraw/zinc/72/38/41/436723841.db2.gz SBKSHKZFCVPYQA-SNVBAGLBSA-N 1 0 339.377 0.790 20 5 ECBDRO COCC[NH2+]CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000237338287 436730787 /nfs/dbraw/zinc/73/07/87/436730787.db2.gz HJQSLNUUFKNILY-UHFFFAOYSA-N 1 0 333.348 0.746 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CCC(C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000237317404 436731480 /nfs/dbraw/zinc/73/14/80/436731480.db2.gz NPCGASAZOACRRZ-UHFFFAOYSA-N 1 0 329.378 0.963 20 5 ECBDRO Cn1cc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000237784942 436744435 /nfs/dbraw/zinc/74/44/35/436744435.db2.gz WFTLURZNVYKUIW-UHFFFAOYSA-N 1 0 339.377 0.396 20 5 ECBDRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000237940439 436749019 /nfs/dbraw/zinc/74/90/19/436749019.db2.gz AQJVPYBWZHMDGN-JTQLQIEISA-N 1 0 338.339 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ECBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000338648137 437412153 /nfs/dbraw/zinc/41/21/53/437412153.db2.gz UWBNBANZWFFBFZ-UHFFFAOYSA-N 1 0 335.368 0.887 20 5 ECBDRO O=c1nc(C2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)[nH][nH]1 ZINC000289546760 437421617 /nfs/dbraw/zinc/42/16/17/437421617.db2.gz XADIVNSGTHOPAB-CYBMUJFWSA-N 1 0 333.348 0.919 20 5 ECBDRO Cc1nnc([C@H]2CCC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)[nH]1 ZINC000268520724 437429915 /nfs/dbraw/zinc/42/99/15/437429915.db2.gz WLSKCFDAOHWNAB-AAEUAGOBSA-N 1 0 335.368 0.458 20 5 ECBDRO CCn1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])n1 ZINC000339047652 437437495 /nfs/dbraw/zinc/43/74/95/437437495.db2.gz NHMNULTYJQDZJA-NXEZZACHSA-N 1 0 331.398 0.572 20 5 ECBDRO O=C(NCCN1CC[NH2+]CC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000269123816 437456948 /nfs/dbraw/zinc/45/69/48/437456948.db2.gz BFMBISAIHGCBKT-UHFFFAOYSA-N 1 0 336.348 0.001 20 5 ECBDRO C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1CC(C)(C)O 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CC(C)C[N@@H+]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC000372185197 438046707 /nfs/dbraw/zinc/04/67/07/438046707.db2.gz INVIIMCAQNOQNK-UHFFFAOYSA-N 1 0 336.392 0.947 20 5 ECBDRO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000366353255 438058448 /nfs/dbraw/zinc/05/84/48/438058448.db2.gz DCAHYTBSCAHHEE-KLHDSHLOSA-N 1 0 333.388 0.651 20 5 ECBDRO NC(=O)N[C@@H]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000342877893 438078204 /nfs/dbraw/zinc/07/82/04/438078204.db2.gz XMGHLMUIXYJFJG-ZWNOBZJWSA-N 1 0 333.348 0.443 20 5 ECBDRO C[C@H]1CN(C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000358034616 438127814 /nfs/dbraw/zinc/12/78/14/438127814.db2.gz HIKPOPMGOVRQGY-FZMZJTMJSA-N 1 0 342.421 0.413 20 5 ECBDRO O=C(CCOC1C[NH2+]C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000349031282 438127415 /nfs/dbraw/zinc/12/74/15/438127415.db2.gz UWXNFHFRSLZHPD-UHFFFAOYSA-N 1 0 334.376 0.622 20 5 ECBDRO COCC[NH2+]CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418081775 438106580 /nfs/dbraw/zinc/10/65/80/438106580.db2.gz HGXLFFFOQMREBW-UHFFFAOYSA-N 1 0 336.352 0.506 20 5 ECBDRO [NH3+]CCCNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000418311092 438129686 /nfs/dbraw/zinc/12/96/86/438129686.db2.gz KZLYZSXBLOBIKY-UHFFFAOYSA-N 1 0 335.364 0.411 20 5 ECBDRO C[C@H](C[NH3+])CNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000418489529 438149908 /nfs/dbraw/zinc/14/99/08/438149908.db2.gz LZQOLPZXPGKTCQ-GFCCVEGCSA-N 1 0 349.391 0.657 20 5 ECBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418761776 438184993 /nfs/dbraw/zinc/18/49/93/438184993.db2.gz LRUCOPOACGFSSE-HNNXBMFYSA-N 1 0 335.408 0.682 20 5 ECBDRO C[C@H](NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000418781919 438188601 /nfs/dbraw/zinc/18/86/01/438188601.db2.gz MPQDYCCPTZADSH-SJCJKPOMSA-N 1 0 346.387 0.984 20 5 ECBDRO [NH3+]CCCNC(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000418806661 438195628 /nfs/dbraw/zinc/19/56/28/438195628.db2.gz JQDCJNBKGVHWTH-UHFFFAOYSA-N 1 0 328.756 0.372 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000373562771 438158020 /nfs/dbraw/zinc/15/80/20/438158020.db2.gz VIYDAFNOEHDVNZ-JSGCOSHPSA-N 1 0 334.376 0.747 20 5 ECBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000432522080 438200668 /nfs/dbraw/zinc/20/06/68/438200668.db2.gz BUXRUQBGSRORQP-SMDDNHRTSA-N 1 0 334.376 0.829 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418952091 438261336 /nfs/dbraw/zinc/26/13/36/438261336.db2.gz VAWMPUJZGYNAKQ-GFCCVEGCSA-N 1 0 336.348 0.073 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000418953568 438263990 /nfs/dbraw/zinc/26/39/90/438263990.db2.gz WRZAGJUTSBPHJH-LLVKDONJSA-N 1 0 336.348 0.169 20 5 ECBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000351071304 438251023 /nfs/dbraw/zinc/25/10/23/438251023.db2.gz CKSJZPOASSMBLW-UHFFFAOYSA-N 1 0 349.391 0.947 20 5 ECBDRO Nc1nccc([C@@H]2CCC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000368455290 438331611 /nfs/dbraw/zinc/33/16/11/438331611.db2.gz OCHMDPOAUSZNAI-YPMHNXCESA-N 1 0 347.379 0.404 20 5 ECBDRO O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419031584 438297705 /nfs/dbraw/zinc/29/77/05/438297705.db2.gz ACTQXPIPISQYGX-ZDUSSCGKSA-N 1 0 334.376 0.512 20 5 ECBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000419039090 438300714 /nfs/dbraw/zinc/30/07/14/438300714.db2.gz KLADPZYBCPGAPK-QWHCGFSZSA-N 1 0 334.376 0.497 20 5 ECBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)NCCc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000419044745 438301983 /nfs/dbraw/zinc/30/19/83/438301983.db2.gz UUORNKYGLMMUIU-BFHYXJOUSA-N 1 0 346.387 0.449 20 5 ECBDRO CCCc1n[nH]c(C(=O)NC[C@@](C)(O)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000352099346 438381264 /nfs/dbraw/zinc/38/12/64/438381264.db2.gz WQYXJTMZZMODFW-AWEZNQCLSA-N 1 0 327.385 0.703 20 5 ECBDRO CN(CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000387464998 438423031 /nfs/dbraw/zinc/42/30/31/438423031.db2.gz SITNQVHOROYTSH-INIZCTEOSA-N 1 0 333.392 0.874 20 5 ECBDRO C[C@@H]1C[NH2+][C@@H](C)CN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000420394417 438405755 /nfs/dbraw/zinc/40/57/55/438405755.db2.gz KLUBGIDYZSHJEV-VHSXEESVSA-N 1 0 336.348 0.944 20 5 ECBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCCCNC1=O ZINC000369035357 438415451 /nfs/dbraw/zinc/41/54/51/438415451.db2.gz FHWJJVKPPBRACE-HIFRSBDPSA-N 1 0 337.376 0.935 20 5 ECBDRO O=C(C[NH2+][C@@H](CO)C1CCOCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000359856872 438511379 /nfs/dbraw/zinc/51/13/79/438511379.db2.gz CWACDSVKBDJDPO-HNNXBMFYSA-N 1 0 349.387 0.861 20 5 ECBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCC(=O)NC2)cc1[N+](=O)[O-] ZINC000353782418 438535826 /nfs/dbraw/zinc/53/58/26/438535826.db2.gz UWIUSTBMQFJRGN-LLVKDONJSA-N 1 0 337.332 0.515 20 5 ECBDRO CCn1cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c([N+](=O)[O-])n1 ZINC000422554177 438588254 /nfs/dbraw/zinc/58/82/54/438588254.db2.gz LTMZHGVYKFYKIP-VWYCJHECSA-N 1 0 345.425 0.805 20 5 ECBDRO O=C(N[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000422738627 438604305 /nfs/dbraw/zinc/60/43/05/438604305.db2.gz ZARSDZYEVRAEIX-LBPRGKRZSA-N 1 0 334.376 0.913 20 5 ECBDRO CCO[C@@H]1COC[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451943102 438619649 /nfs/dbraw/zinc/61/96/49/438619649.db2.gz HJVXHRHACXKSCU-BPLDGKMQSA-N 1 0 326.349 0.728 20 5 ECBDRO [NH3+][C@H]1CCN(C(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000423094437 438637915 /nfs/dbraw/zinc/63/79/15/438637915.db2.gz BUNFOMMOBCIMMK-LBPRGKRZSA-N 1 0 332.360 0.645 20 5 ECBDRO C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+](C2CC2)C1 ZINC000452172073 438646371 /nfs/dbraw/zinc/64/63/71/438646371.db2.gz ULEIMZRJPXQCNI-GFCCVEGCSA-N 1 0 334.376 0.699 20 5 ECBDRO COCC[NH2+]CCNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000423474660 438680818 /nfs/dbraw/zinc/68/08/18/438680818.db2.gz IJPFIEMDLZKJHW-UHFFFAOYSA-N 1 0 325.321 0.347 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1[N+](=O)[O-] ZINC000423516667 438682079 /nfs/dbraw/zinc/68/20/79/438682079.db2.gz BDEAQZZNQBJWNL-IHRRRGAJSA-N 1 0 346.387 0.829 20 5 ECBDRO O=c1[nH]c(NC[C@H]2CCC[N@H+]2CCCO)nc2ccc([N+](=O)[O-])cc12 ZINC000450596693 438692974 /nfs/dbraw/zinc/69/29/74/438692974.db2.gz NSZCEXCFFGJHPE-GFCCVEGCSA-N 1 0 347.375 1.502 20 5 ECBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000453922140 438700428 /nfs/dbraw/zinc/70/04/28/438700428.db2.gz UVKPMGVVXMQFDP-RNCFNFMXSA-N 1 0 336.323 0.835 20 5 ECBDRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000423303583 438659382 /nfs/dbraw/zinc/65/93/82/438659382.db2.gz JCIHTRSHAWRTOP-ZDUSSCGKSA-N 1 0 332.360 0.429 20 5 ECBDRO CNc1ccc(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000574808474 438721515 /nfs/dbraw/zinc/72/15/15/438721515.db2.gz DTYXYSFJDAKBKW-ZDUSSCGKSA-N 1 0 333.392 0.756 20 5 ECBDRO C[C@H]1C[NH+](CCCNC(=O)c2ccnc(N)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000548056366 438721838 /nfs/dbraw/zinc/72/18/38/438721838.db2.gz AHMMRBIRGSMCNM-QWRGUYRKSA-N 1 0 337.380 0.801 20 5 ECBDRO CC(C)(C)[NH2+]CCNCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000415073331 438728418 /nfs/dbraw/zinc/72/84/18/438728418.db2.gz AWJIBKVNKXDHHQ-UHFFFAOYSA-N 1 0 344.437 0.851 20 5 ECBDRO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000576631201 438791239 /nfs/dbraw/zinc/79/12/39/438791239.db2.gz YVVSBCFAZDOQLM-YGRLFVJLSA-N 1 0 336.396 0.723 20 5 ECBDRO O=[N+]([O-])c1cc(F)cnc1N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000601139342 438823105 /nfs/dbraw/zinc/82/31/05/438823105.db2.gz BBQLEEFMMUIDFF-UHFFFAOYSA-N 1 0 340.355 0.792 20 5 ECBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](CCOCCO)C1CCC1 ZINC000595595675 438831029 /nfs/dbraw/zinc/83/10/29/438831029.db2.gz KMIONPIAVCRHHM-UHFFFAOYSA-N 1 0 325.365 0.620 20 5 ECBDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000595661357 438840331 /nfs/dbraw/zinc/84/03/31/438840331.db2.gz HPJCZHYJAJJYEI-SMDDNHRTSA-N 1 0 340.332 0.902 20 5 ECBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1CCCN(Cc2ncon2)C1 ZINC000588843263 438843540 /nfs/dbraw/zinc/84/35/40/438843540.db2.gz SCTLKKQSXNAQPV-LLVKDONJSA-N 1 0 349.351 0.203 20 5 ECBDRO COc1ccc(OCC[NH2+]C2(C(N)=O)CCOCC2)c([N+](=O)[O-])c1 ZINC000595728198 438848072 /nfs/dbraw/zinc/84/80/72/438848072.db2.gz LLVWVKOMAHGFCI-UHFFFAOYSA-N 1 0 339.348 0.606 20 5 ECBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@@H](CO)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000588966330 438851489 /nfs/dbraw/zinc/85/14/89/438851489.db2.gz PYIWOACXCLCAMS-HUBLWGQQSA-N 1 0 337.376 0.905 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595961043 438902277 /nfs/dbraw/zinc/90/22/77/438902277.db2.gz IFLPCQILUQQHMC-CQSZACIVSA-N 1 0 348.403 0.995 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000590281508 438907021 /nfs/dbraw/zinc/90/70/21/438907021.db2.gz OBLOSYUXCYARMA-ZWNOBZJWSA-N 1 0 348.359 0.704 20 5 ECBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC000595891762 438878008 /nfs/dbraw/zinc/87/80/08/438878008.db2.gz OCDSUBYFEGGHES-LLVKDONJSA-N 1 0 340.405 0.403 20 5 ECBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3nccc(C(N)=O)c3[N+](=O)[O-])CC2)C1 ZINC000589573424 438878189 /nfs/dbraw/zinc/87/81/89/438878189.db2.gz KPNPGJJBAYAWFN-GFCCVEGCSA-N 1 0 348.407 0.305 20 5 ECBDRO CN1C(=O)CC[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000564855610 438879672 /nfs/dbraw/zinc/87/96/72/438879672.db2.gz CYFIDUPTYJOQOK-WCQYABFASA-N 1 0 337.332 0.072 20 5 ECBDRO O=C(CNC1(CO)CC[NH2+]CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595903607 438881466 /nfs/dbraw/zinc/88/14/66/438881466.db2.gz YMXOIOOUUJIQEN-UHFFFAOYSA-N 1 0 342.783 0.891 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000590354942 438913038 /nfs/dbraw/zinc/91/30/38/438913038.db2.gz DXPCORMZUXVGRA-CYBMUJFWSA-N 1 0 334.376 0.723 20 5 ECBDRO Cn1c(C(=O)NC[C@H]2CCCN(Cc3ncon3)C2)ccc1[N+](=O)[O-] ZINC000590362445 438913565 /nfs/dbraw/zinc/91/35/65/438913565.db2.gz IUEOBORCMYVFPF-LLVKDONJSA-N 1 0 348.363 0.958 20 5 ECBDRO CC[NH+](CC)CC(=O)N1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596108200 438925065 /nfs/dbraw/zinc/92/50/65/438925065.db2.gz QRZGSQXYSDYERN-UHFFFAOYSA-N 1 0 337.380 0.686 20 5 ECBDRO COc1cc(C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000565207318 438929091 /nfs/dbraw/zinc/92/90/91/438929091.db2.gz ICMXUWVFWHWIJS-SNVBAGLBSA-N 1 0 338.364 0.400 20 5 ECBDRO Nc1ccc(N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)nc1[N+](=O)[O-] ZINC000596260422 438945886 /nfs/dbraw/zinc/94/58/86/438945886.db2.gz GXSMUIHSNBAKBH-NSHDSACASA-N 1 0 334.380 0.363 20 5 ECBDRO C[NH+](C)CCN1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1=O ZINC000596289486 438950880 /nfs/dbraw/zinc/95/08/80/438950880.db2.gz CQLYEMKYGQAMDG-UHFFFAOYSA-N 1 0 327.772 0.853 20 5 ECBDRO COc1ccc(CNC(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000591346357 439004850 /nfs/dbraw/zinc/00/48/50/439004850.db2.gz 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O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H](O)[C@@H]1CCOC1 ZINC000580551441 439104130 /nfs/dbraw/zinc/10/41/30/439104130.db2.gz NXMUXBQQWKQTNV-YRGRVCCFSA-N 1 0 326.349 0.322 20 5 ECBDRO CCCc1n[nH]c(C(=O)NCCN2CCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000521052118 439104527 /nfs/dbraw/zinc/10/45/27/439104527.db2.gz VLWKPGCJAPGNCJ-JTQLQIEISA-N 1 0 325.369 0.721 20 5 ECBDRO O=C(NC[C@@H]1COCC[NH2+]1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000602549918 439110505 /nfs/dbraw/zinc/11/05/05/439110505.db2.gz FPTQRTXBIGHMAD-CQSZACIVSA-N 1 0 348.403 0.916 20 5 ECBDRO CCOC(=O)C1CCC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000591727834 439077212 /nfs/dbraw/zinc/07/72/12/439077212.db2.gz WXPSSCIAIYCGCB-YIZWMMSDSA-N 1 0 340.380 0.864 20 5 ECBDRO CN(Cc1ccccc1)C[C@@H](O)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000591756738 439080698 /nfs/dbraw/zinc/08/06/98/439080698.db2.gz XMGSZQFXZUNGGF-INIZCTEOSA-N 1 0 333.392 0.874 20 5 ECBDRO CCN(C)C(=O)[C@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591763456 439082271 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ZINC000592471491 439234731 /nfs/dbraw/zinc/23/47/31/439234731.db2.gz MXQXGSKWMSBYIJ-UHFFFAOYSA-N 1 0 344.393 0.070 20 5 ECBDRO Cn1cncc1CCNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598903623 439325474 /nfs/dbraw/zinc/32/54/74/439325474.db2.gz YCCYNYRQQZZFGY-UHFFFAOYSA-N 1 0 346.347 0.809 20 5 ECBDRO COC[C@@]1(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000598913984 439326293 /nfs/dbraw/zinc/32/62/93/439326293.db2.gz UCEIOFRANRPBEU-HNNXBMFYSA-N 1 0 336.348 0.418 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)c1 ZINC000568884695 439286581 /nfs/dbraw/zinc/28/65/81/439286581.db2.gz QWFIAHZCMHPUAY-BRWVUGGUSA-N 1 0 346.387 0.908 20 5 ECBDRO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[NH2+]C1 ZINC000598663491 439298982 /nfs/dbraw/zinc/29/89/82/439298982.db2.gz VLNWXLABJLRIDP-LLVKDONJSA-N 1 0 335.364 0.832 20 5 ECBDRO C[C@@H]1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000598663676 439299035 /nfs/dbraw/zinc/29/90/35/439299035.db2.gz FTQKZOIRRVUPEC-ZWNOBZJWSA-N 1 0 335.364 0.912 20 5 ECBDRO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NCC12CC(C1)C[NH2+]2 ZINC000598668382 439300032 /nfs/dbraw/zinc/30/00/32/439300032.db2.gz NSXZKQJWOLGYQZ-UHFFFAOYSA-N 1 0 333.348 0.585 20 5 ECBDRO C[N@@H+]1CCC[C@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000604198266 439302914 /nfs/dbraw/zinc/30/29/14/439302914.db2.gz FAGBOLFZGAGMPH-ZDUSSCGKSA-N 1 0 334.376 0.925 20 5 ECBDRO Cc1ccc(S(=O)(=O)N2CCO[C@H](C[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000598716219 439307981 /nfs/dbraw/zinc/30/79/81/439307981.db2.gz BQVBTIMBKHQSED-LLVKDONJSA-N 1 0 329.378 0.560 20 5 ECBDRO C[NH2+]CCOCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000599108272 439359674 /nfs/dbraw/zinc/35/96/74/439359674.db2.gz VEXYIJSTLAQYGO-UHFFFAOYSA-N 1 0 337.785 0.763 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)n1 ZINC000599107425 439359902 /nfs/dbraw/zinc/35/99/02/439359902.db2.gz JKMZXEFEURBEIJ-NSHDSACASA-N 1 0 343.409 0.339 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000599109873 439361564 /nfs/dbraw/zinc/36/15/64/439361564.db2.gz ZIBYNADWACVULM-LBPRGKRZSA-N 1 0 329.382 0.093 20 5 ECBDRO COc1c(F)cc(S(=O)(=O)N[C@@H]2CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000599111123 439362137 /nfs/dbraw/zinc/36/21/37/439362137.db2.gz DPRBAKLXIWRHAL-OIBJUYFYSA-N 1 0 333.341 0.771 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)n1 ZINC000599098894 439355707 /nfs/dbraw/zinc/35/57/07/439355707.db2.gz AFUYFXUPOZZJHE-GUBZILKMSA-N 1 0 329.382 0.076 20 5 ECBDRO NC(=O)[C@H]1CC[C@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000582900187 439393105 /nfs/dbraw/zinc/39/31/05/439393105.db2.gz GYJUBRYPPKLJAQ-GVXVVHGQSA-N 1 0 325.369 0.034 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@H+](CC3CC3)C2)nc1 ZINC000593542390 439399503 /nfs/dbraw/zinc/39/95/03/439399503.db2.gz SXRYGQJXRRZEKL-NSHDSACASA-N 1 0 326.378 0.752 20 5 ECBDRO 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/nfs/dbraw/zinc/57/35/83/439573583.db2.gz UONHEAJGKIHKEO-IYBDPMFKSA-N 1 0 332.360 0.991 20 5 ECBDRO C[C@H]1CC[C@@H](NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C[NH2+]1 ZINC000599933496 439576612 /nfs/dbraw/zinc/57/66/12/439576612.db2.gz KNWNFEJSNTZGIL-QWHCGFSZSA-N 1 0 348.407 0.962 20 5 ECBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000599937091 439579230 /nfs/dbraw/zinc/57/92/30/439579230.db2.gz DBVNJPZOPBLZHU-NEPJUHHUSA-N 1 0 349.343 0.605 20 5 ECBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000599966815 439588004 /nfs/dbraw/zinc/58/80/04/439588004.db2.gz TUFCEPUADDDTDC-XHDPSFHLSA-N 1 0 346.387 0.952 20 5 ECBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610265103 439607673 /nfs/dbraw/zinc/60/76/73/439607673.db2.gz PFTAFYDIZHYHQJ-MNOVXSKESA-N 1 0 328.394 0.951 20 5 ECBDRO CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000584742354 439613155 /nfs/dbraw/zinc/61/31/55/439613155.db2.gz 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ZINC000844227025 589104452 /nfs/dbraw/zinc/10/44/52/589104452.db2.gz QIYANZHYMWVUET-JTQLQIEISA-N 1 0 346.384 0.306 20 5 ECBDRO CCO[C@@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H]1C[NH3+] ZINC000846694649 589219309 /nfs/dbraw/zinc/21/93/09/589219309.db2.gz AKJFZEIKSGICRC-IUODEOHRSA-N 1 0 347.375 0.767 20 5 ECBDRO CCO[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000846693555 589219363 /nfs/dbraw/zinc/21/93/63/589219363.db2.gz IRQQALRTNDPXJO-ZWNOBZJWSA-N 1 0 338.320 0.939 20 5 ECBDRO [NH2+]=C(NCCCN1CCOCC1)NCCc1cccc([N+](=O)[O-])c1 ZINC000849001512 589318359 /nfs/dbraw/zinc/31/83/59/589318359.db2.gz QPQLUBUWFJHGEV-UHFFFAOYSA-N 1 0 335.408 0.974 20 5 ECBDRO C[C@H]([NH2+]C[C@]1(OCCO)CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850506210 589368923 /nfs/dbraw/zinc/36/89/23/589368923.db2.gz CMCDFUGLOAGYCE-XHDPSFHLSA-N 1 0 325.365 0.996 20 5 ECBDRO O=C(NC1(CCO)C[NH2+]C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857765574 589704328 /nfs/dbraw/zinc/70/43/28/589704328.db2.gz HFHKJTCTYMAOJP-UHFFFAOYSA-N 1 0 331.275 0.407 20 5 ECBDRO Cc1cc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)c(N)c([N+](=O)[O-])c1 ZINC000861710210 589877540 /nfs/dbraw/zinc/87/75/40/589877540.db2.gz AOJKHTUOKSLLLU-VXGBXAGGSA-N 1 0 334.376 0.767 20 5 ECBDRO C[NH+]1CCC(C(=O)N2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC000947275139 608709848 /nfs/dbraw/zinc/70/98/48/608709848.db2.gz KTHVMHHRQWXSLR-ZIAGYGMSSA-N 1 0 338.408 0.101 20 5 ECBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000934262609 608804969 /nfs/dbraw/zinc/80/49/69/608804969.db2.gz LHSQOXKXBVKODK-GJZGRUSLSA-N 1 0 336.392 0.288 20 5 ECBDRO C[NH+]1CCC2(CCN2S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000907857429 609626398 /nfs/dbraw/zinc/62/63/98/609626398.db2.gz LFNCRYTZVYBJKB-UHFFFAOYSA-N 1 0 326.378 0.849 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[NH2+]C[C@H]1C(F)F ZINC000923355004 611233430 /nfs/dbraw/zinc/23/34/30/611233430.db2.gz YNNRAMNYODWFAP-PWSUYJOCSA-N 1 0 331.319 0.873 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[NH2+]C[C@H]2c2ccccc2)c1 ZINC000923379575 611235470 /nfs/dbraw/zinc/23/54/70/611235470.db2.gz QHLXKDVFPBUZBY-CVEARBPZSA-N 1 0 331.376 0.799 20 5 ECBDRO Cn1nnc(C(=O)N2CCC([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000996899072 743008691 /nfs/dbraw/zinc/00/86/91/743008691.db2.gz UAKRGVWPOQGHAR-UHFFFAOYSA-N 1 0 345.363 0.513 20 5 ECBDRO CCn1ccnc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000997770141 743800182 /nfs/dbraw/zinc/80/01/82/743800182.db2.gz SLIFQKWTMFRUDC-ZIAGYGMSSA-N 1 0 335.408 0.896 20 5 ECBDRO CCn1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)n1 ZINC001020678712 751960783 /nfs/dbraw/zinc/96/07/83/751960783.db2.gz UUKGCNNMJQTEFM-XYPYZODXSA-N 1 0 347.379 0.595 20 5 ECBDRO O=C(Cn1nccn1)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000983768413 745243608 /nfs/dbraw/zinc/24/36/08/745243608.db2.gz RVPZDXDBYAMUIZ-HDJSIYSDSA-N 1 0 344.375 0.871 20 5 ECBDRO Cc1cc(C)n(CC[NH+]2CCC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001001398931 746340607 /nfs/dbraw/zinc/34/06/07/746340607.db2.gz GMDFTSKSADRGGT-HZPDHXFCSA-N 1 0 349.435 0.993 20 5 ECBDRO O=C(Cn1cncn1)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000985100829 747361629 /nfs/dbraw/zinc/36/16/29/747361629.db2.gz MBZOYJCGRKCARL-MQMHXKEQSA-N 1 0 344.375 0.871 20 5 ECBDRO COc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)o1 ZINC001020809817 752188893 /nfs/dbraw/zinc/18/88/93/752188893.db2.gz LNFZVWKQUOQIKD-MGCOHNPYSA-N 1 0 349.347 0.981 20 5 ECBDRO Cc1cc(C)n(CC[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001002788031 747786168 /nfs/dbraw/zinc/78/61/68/747786168.db2.gz LQIOSGVNQWLZCQ-HUUCEWRRSA-N 1 0 335.408 0.746 20 5 ECBDRO O=C(Cn1ncnn1)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001002823837 747834505 /nfs/dbraw/zinc/83/45/05/747834505.db2.gz NKCNNGQBNMHMJB-UHFFFAOYSA-N 1 0 345.363 0.362 20 5 ECBDRO CCn1ccc(C[N@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC000985426864 747978976 /nfs/dbraw/zinc/97/89/76/747978976.db2.gz UYVZVMMVUUXRRW-HUUCEWRRSA-N 1 0 335.408 0.991 20 5 ECBDRO CNC(=O)NCCC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001126689336 750957974 /nfs/dbraw/zinc/95/79/74/750957974.db2.gz WPUCUNXMUDXHTG-UHFFFAOYSA-N 1 0 329.382 0.181 20 5 ECBDRO CCn1cnc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)c1 ZINC001020937170 752362848 /nfs/dbraw/zinc/36/28/48/752362848.db2.gz OVZPEEXHIQBZDI-XYPYZODXSA-N 1 0 347.379 0.595 20 5 ECBDRO Cc1cc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)on1 ZINC000983122847 754686218 /nfs/dbraw/zinc/68/62/18/754686218.db2.gz CAEAQHIRKQPWDZ-XYPYZODXSA-N 1 0 348.363 0.923 20 5 ECBDRO O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Nc1cccc(Cl)c1 ZINC001126943348 756908920 /nfs/dbraw/zinc/90/89/20/756908920.db2.gz NIPGMTKKRFEIGN-VXGBXAGGSA-N 1 0 340.767 0.650 20 5 ECBDRO CC1(C)CC[N@H+](CC(=O)N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC001011115767 756954898 /nfs/dbraw/zinc/95/48/98/756954898.db2.gz UOHFVDZOICIIEI-CHWSQXEVSA-N 1 0 338.408 0.054 20 5 ECBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3ccc(F)cn3)C[C@@H]2C1 ZINC001048814571 757083412 /nfs/dbraw/zinc/08/34/12/757083412.db2.gz STZBTFQMQOPLSJ-BAESOJJISA-N 1 0 334.351 0.776 20 5 ECBDRO CN(C)C(=O)c1cccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001126948529 757120942 /nfs/dbraw/zinc/12/09/42/757120942.db2.gz BTVULHAYPDJSGR-ZIAGYGMSSA-N 1 0 334.376 0.259 20 5 ECBDRO COc1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(C)n1 ZINC001022063722 758226919 /nfs/dbraw/zinc/22/69/19/758226919.db2.gz JADVJNIMZALNOC-YVECIDJPSA-N 1 0 335.364 0.196 20 5 ECBDRO Cc1csc(=O)n1CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001022064134 758228183 /nfs/dbraw/zinc/22/81/83/758228183.db2.gz XNHAXCAMRSUWQT-WRWGMCAJSA-N 1 0 340.405 0.120 20 5 ECBDRO Cn1ncc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)n1 ZINC001022850401 759183765 /nfs/dbraw/zinc/18/37/65/759183765.db2.gz MGMNWAUIRUVWCE-AOOOYVTPSA-N 1 0 336.377 0.835 20 5 ECBDRO O=C(NCC1C[NH+](CCCC2CCOCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031663119 766382547 /nfs/dbraw/zinc/38/25/47/766382547.db2.gz VDXKGKAWTXOBTH-HUUCEWRRSA-N 1 0 325.409 0.906 20 5 ECBDRO CC(C)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001055574983 769159504 /nfs/dbraw/zinc/15/95/04/769159504.db2.gz GZFYWEQPEXIDRJ-CHWSQXEVSA-N 1 0 326.397 0.004 20 5 ECBDRO Cn1ncc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)c1N ZINC001020094795 772152742 /nfs/dbraw/zinc/15/27/42/772152742.db2.gz YIYPDTLMKOITGU-HAQNSBGRSA-N 1 0 344.375 0.961 20 5 ECBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2noc3c2CCCC3)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020138952 772205528 /nfs/dbraw/zinc/20/55/28/772205528.db2.gz JHWFLKUXTYCGGI-BGOOENEXSA-N 1 0 334.376 0.955 20 5 ECBDRO CN(C(=O)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CC1 ZINC001045436815 775610264 /nfs/dbraw/zinc/61/02/64/775610264.db2.gz WGGKXBOTNBQRNK-CHWSQXEVSA-N 1 0 338.408 0.243 20 5 ECBDRO CC[N@H+](C)CCC(=O)NC1(C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001073015681 789276879 /nfs/dbraw/zinc/27/68/79/789276879.db2.gz OFPVDWBXQVRYIM-CHWSQXEVSA-N 1 0 340.424 0.491 20 5 ECBDRO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CS(=O)(=O)C1 ZINC001266710214 836181585 /nfs/dbraw/zinc/18/15/85/836181585.db2.gz JEXYTCMBLUIHEI-UHFFFAOYSA-N 1 0 341.389 0.187 20 5 ECBDRO [NH3+]C[C@H]1CCCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000428530434 210267895 /nfs/dbraw/zinc/26/78/95/210267895.db2.gz BBQJFTDMHBYFNY-LLVKDONJSA-N 1 0 330.348 0.986 20 5 ECBDRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000354703394 299101383 /nfs/dbraw/zinc/10/13/83/299101383.db2.gz YZZWNGOULJAQAC-GFCCVEGCSA-N 1 0 332.360 0.742 20 5 ECBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178116688 232087105 /nfs/dbraw/zinc/08/71/05/232087105.db2.gz RFYINYQKEVKBQR-CYBMUJFWSA-N 1 0 337.380 0.362 20 5 ECBDRO CNS(=O)(=O)CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447595799 290758214 /nfs/dbraw/zinc/75/82/14/290758214.db2.gz ATXFCLNSLAINGL-QWRGUYRKSA-N 1 0 331.398 0.414 20 5 ECBDRO CN1C(=O)NCC12CC[NH+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC2 ZINC000425538280 210069936 /nfs/dbraw/zinc/06/99/36/210069936.db2.gz IFYJSBHDQDXEDS-UHFFFAOYSA-N 1 0 347.375 0.683 20 5 ECBDRO C[C@@H]1CN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C[C@H]1[NH3+] ZINC000423305662 209722861 /nfs/dbraw/zinc/72/28/61/209722861.db2.gz KXQZMVHZHQBMGP-QMTHXVAHSA-N 1 0 332.360 0.285 20 5 ECBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000186830470 236035907 /nfs/dbraw/zinc/03/59/07/236035907.db2.gz ZHTXSJBAOUKAEN-JQWIXIFHSA-N 1 0 330.348 0.903 20 5 ECBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000419039089 283510946 /nfs/dbraw/zinc/51/09/46/283510946.db2.gz KLADPZYBCPGAPK-OLZOCXBDSA-N 1 0 334.376 0.497 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000420430186 209364394 /nfs/dbraw/zinc/36/43/94/209364394.db2.gz CFELSYNEZPEMSO-GZMMTYOYSA-N 1 0 343.361 0.349 20 5 ECBDRO COc1c(F)cc(S(=O)(=O)NC[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000420485030 209375086 /nfs/dbraw/zinc/37/50/86/209375086.db2.gz YZNXYXFCAWVCDG-MRVPVSSYSA-N 1 0 349.340 0.009 20 5 ECBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000420142025 209319230 /nfs/dbraw/zinc/31/92/30/209319230.db2.gz JUWWNNDLORHROO-WCQYABFASA-N 1 0 334.376 0.667 20 5 ECBDRO COc1c(F)cc(S(=O)(=O)N(C)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000193271074 240086006 /nfs/dbraw/zinc/08/60/06/240086006.db2.gz LXBKFNPSUMELPV-QMMMGPOBSA-N 1 0 333.341 0.725 20 5 ECBDRO [NH3+]CCNC(=O)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000419781315 209203116 /nfs/dbraw/zinc/20/31/16/209203116.db2.gz OROGKVMYKKHHSR-UHFFFAOYSA-N 1 0 334.254 0.305 20 5 ECBDRO C[NH+](C)C1(CNC(=O)Cn2cnc([N+](=O)[O-])n2)Cc2ccccc2C1 ZINC000356299359 299374565 /nfs/dbraw/zinc/37/45/65/299374565.db2.gz KHZFYXBZGTYVNO-UHFFFAOYSA-N 1 0 344.375 0.402 20 5 ECBDRO Nc1c(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cccc1[N+](=O)[O-] ZINC000262548752 245028532 /nfs/dbraw/zinc/02/85/32/245028532.db2.gz OZGVCQMOFCOOPY-SNVBAGLBSA-N 1 0 335.364 0.104 20 5 ECBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000262563095 245033883 /nfs/dbraw/zinc/03/38/83/245033883.db2.gz AQAPAZLYZAUJRR-NEPJUHHUSA-N 1 0 334.376 0.829 20 5 ECBDRO C[C@@H](C[NH3+])N(C)C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262598497 245054422 /nfs/dbraw/zinc/05/44/22/245054422.db2.gz LTEJRYSAXLGCCK-JTQLQIEISA-N 1 0 344.393 0.021 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000262723903 245146795 /nfs/dbraw/zinc/14/67/95/245146795.db2.gz GLVFYOKAACXMDC-GRYCIOLGSA-N 1 0 334.376 0.922 20 5 ECBDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000458205663 211756631 /nfs/dbraw/zinc/75/66/31/211756631.db2.gz SJBQXBZHTQMFQZ-UHFFFAOYSA-N 1 0 338.393 0.838 20 5 ECBDRO C[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[NH+](C)CC1 ZINC000265011781 247132931 /nfs/dbraw/zinc/13/29/31/247132931.db2.gz HCRJCQVXXNLPIE-NSHDSACASA-N 1 0 346.391 0.837 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000449746417 211297074 /nfs/dbraw/zinc/29/70/74/211297074.db2.gz FZCLCDAYACGFGA-GWCFXTLKSA-N 1 0 334.376 0.970 20 5 ECBDRO O=C(NCC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)NCc1ccc([N+](=O)[O-])cc1 ZINC000449739458 211295618 /nfs/dbraw/zinc/29/56/18/211295618.db2.gz AOQWHIAFMNZLNI-OCCSQVGLSA-N 1 0 347.375 0.214 20 5 ECBDRO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NCC[C@H]1CCC[NH2+]1 ZINC000444273203 211064310 /nfs/dbraw/zinc/06/43/10/211064310.db2.gz ZRMAYBAEALHHDX-CYBMUJFWSA-N 1 0 349.391 0.652 20 5 ECBDRO O=C(CN1CC[C@@H]2C[NH2+]C[C@H]2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000357087309 299515891 /nfs/dbraw/zinc/51/58/91/299515891.db2.gz MTBFEOFUVWAVII-MNOVXSKESA-N 1 0 348.359 0.803 20 5 ECBDRO COC[C@@](C)(CCO)[NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000267466876 251083426 /nfs/dbraw/zinc/08/34/26/251083426.db2.gz MKWYMWLEPVKNJO-OAHLLOKOSA-N 1 0 341.364 0.919 20 5 ECBDRO COC[C@@](C)([NH3+])CNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000357158407 299529215 /nfs/dbraw/zinc/52/92/15/299529215.db2.gz HCKUKVKPAPEMBR-ZDUSSCGKSA-N 1 0 346.409 0.621 20 5 ECBDRO NC(=O)[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1c1ccccc1 ZINC000411968078 208181702 /nfs/dbraw/zinc/18/17/02/208181702.db2.gz FKNYQBIMSMKALL-UONOGXRCSA-N 1 0 329.360 0.992 20 5 ECBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)CN1CCOCC1 ZINC000412091911 208202723 /nfs/dbraw/zinc/20/27/23/208202723.db2.gz MRPBYBJBJFSIBI-AWEZNQCLSA-N 1 0 341.412 0.195 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)N(C)C2CC([NH3+])C2)cc1[N+](=O)[O-] ZINC000420456448 209369713 /nfs/dbraw/zinc/36/97/13/209369713.db2.gz AKCGESQJORXWRB-UHFFFAOYSA-N 1 0 343.361 0.492 20 5 ECBDRO [NH3+]CC1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000428817494 210285717 /nfs/dbraw/zinc/28/57/17/210285717.db2.gz ZPMMXKBQDNADGA-UHFFFAOYSA-N 1 0 348.359 0.518 20 5 ECBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418752140 208843838 /nfs/dbraw/zinc/84/38/38/208843838.db2.gz BHFJBSWSAQBLMS-CYBMUJFWSA-N 1 0 349.391 0.271 20 5 ECBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418867988 208887780 /nfs/dbraw/zinc/88/77/80/208887780.db2.gz MTEXFGQYOAVSIB-KBPBESRZSA-N 1 0 346.387 0.321 20 5 ECBDRO C[C@@H]1CN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@H](C)C[NH2+]1 ZINC000418927389 208911543 /nfs/dbraw/zinc/91/15/43/208911543.db2.gz WTVGYJKNBWLIAR-VXGBXAGGSA-N 1 0 334.376 0.462 20 5 ECBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000419241302 209039069 /nfs/dbraw/zinc/03/90/69/209039069.db2.gz BSRVQSPKJNHVSA-GVXVVHGQSA-N 1 0 334.376 0.886 20 5 ECBDRO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000419271355 209047714 /nfs/dbraw/zinc/04/77/14/209047714.db2.gz OKNDUCHLZMSUQH-AAEUAGOBSA-N 1 0 334.376 0.901 20 5 ECBDRO COc1ccc(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000119075147 221237722 /nfs/dbraw/zinc/23/77/22/221237722.db2.gz JDLFJQZJHRIYBY-NXEZZACHSA-N 1 0 329.378 0.974 20 5 ECBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000119553991 221346586 /nfs/dbraw/zinc/34/65/86/221346586.db2.gz ZZNLOIJLNVVBMF-OCCSQVGLSA-N 1 0 344.375 0.823 20 5 ECBDRO [NH3+]C1CCN(C(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000419346202 209066364 /nfs/dbraw/zinc/06/63/64/209066364.db2.gz IGELNPUOYXJOFK-UHFFFAOYSA-N 1 0 348.403 0.983 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000261636116 286349942 /nfs/dbraw/zinc/34/99/42/286349942.db2.gz DKDJLHBKVXKUJI-ZYHUDNBSSA-N 1 0 341.389 0.976 20 5 ECBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000296631514 296815123 /nfs/dbraw/zinc/81/51/23/296815123.db2.gz CHDXAZWHSYBJFR-SNVBAGLBSA-N 1 0 339.377 0.947 20 5 ECBDRO CNC(=O)[C@@H](C)C[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246282981 165128448 /nfs/dbraw/zinc/12/84/48/165128448.db2.gz XBURSQGCORLHSA-WCQYABFASA-N 1 0 325.365 0.648 20 5 ECBDRO CCC[NH2+]CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000261598435 165213648 /nfs/dbraw/zinc/21/36/48/165213648.db2.gz ANEBUAWRJXDIGU-NSHDSACASA-N 1 0 338.364 0.908 20 5 ECBDRO C[NH2+][C@@H]1CCCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000261644258 165221774 /nfs/dbraw/zinc/22/17/74/165221774.db2.gz CMROMTUQYWADRO-CYBMUJFWSA-N 1 0 349.391 0.604 20 5 ECBDRO [NH3+]CCN(CCc1ccccc1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000261671629 165225534 /nfs/dbraw/zinc/22/55/34/165225534.db2.gz GJMVKPOCPFGINN-UHFFFAOYSA-N 1 0 344.371 0.787 20 5 ECBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261765708 165240545 /nfs/dbraw/zinc/24/05/45/165240545.db2.gz WFFUGEXWUZAIDO-GFCCVEGCSA-N 1 0 334.376 0.830 20 5 ECBDRO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000261834263 165249060 /nfs/dbraw/zinc/24/90/60/165249060.db2.gz TXYWUWUUJKWGJB-AWEZNQCLSA-N 1 0 344.375 0.922 20 5 ECBDRO [NH3+][C@H](CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000261939337 165265771 /nfs/dbraw/zinc/26/57/71/165265771.db2.gz MVWQUNNRSICHLH-LLVKDONJSA-N 1 0 334.332 0.174 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@H]1CC[NH2+]C1 ZINC000261975648 165271007 /nfs/dbraw/zinc/27/10/07/165271007.db2.gz QOOVWMMYSCGYHM-SNVBAGLBSA-N 1 0 329.378 0.881 20 5 ECBDRO CS(=O)(=O)c1ccc(NCCNC(=O)C2([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000262320123 165329359 /nfs/dbraw/zinc/32/93/59/165329359.db2.gz QVPITFZLMXJQNF-UHFFFAOYSA-N 1 0 342.377 0.018 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000262338242 165333444 /nfs/dbraw/zinc/33/34/44/165333444.db2.gz TZOQRTSKYAUXBW-MWLCHTKSSA-N 1 0 329.378 0.961 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000262520121 165358709 /nfs/dbraw/zinc/35/87/09/165358709.db2.gz NZGWAQWQJRSEAX-CYBMUJFWSA-N 1 0 329.378 0.963 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000262550457 165361602 /nfs/dbraw/zinc/36/16/02/165361602.db2.gz SISGHQFEAFOSGJ-LLVKDONJSA-N 1 0 329.378 0.961 20 5 ECBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000162101228 225752821 /nfs/dbraw/zinc/75/28/21/225752821.db2.gz RABXFJHSOSDNGJ-RYUDHWBXSA-N 1 0 343.405 0.888 20 5 ECBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000123807933 222334732 /nfs/dbraw/zinc/33/47/32/222334732.db2.gz VESDYCGCKKBGJQ-AWEZNQCLSA-N 1 0 340.336 0.854 20 5 ECBDRO NS(=O)(=O)C[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269683272 263196939 /nfs/dbraw/zinc/19/69/39/263196939.db2.gz YXVYVTITUMXRES-FZMZJTMJSA-N 1 0 343.405 0.629 20 5 ECBDRO Cc1n[nH]c(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000270822596 263276158 /nfs/dbraw/zinc/27/61/58/263276158.db2.gz ZPZIDIUIVPOGGG-UHFFFAOYSA-N 1 0 348.363 0.892 20 5 ECBDRO NS(=O)(=O)c1cccc(N2CCC([NH2+]C3CC3)CC2)c1[N+](=O)[O-] ZINC000273525239 263412402 /nfs/dbraw/zinc/41/24/02/263412402.db2.gz XQFLOTNIBQQAKP-UHFFFAOYSA-N 1 0 340.405 0.963 20 5 ECBDRO C[N@H+]1C[C@H]2CN(c3cc([N+](=O)[O-])cc(S(N)(=O)=O)c3)C[C@H]2C1 ZINC000278705426 263844578 /nfs/dbraw/zinc/84/45/78/263844578.db2.gz ITXMTDDFMRHJQR-AOOOYVTPSA-N 1 0 326.378 0.240 20 5 ECBDRO COC(=O)Cc1ccc(NC[C@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000297271695 265136275 /nfs/dbraw/zinc/13/62/75/265136275.db2.gz WVYVVFKRWFBCEY-ZDUSSCGKSA-N 1 0 336.392 0.968 20 5 ECBDRO CC[C@@H]([NH3+])CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000420456488 276529802 /nfs/dbraw/zinc/52/98/02/276529802.db2.gz AMVXKDMTLGXFLR-MRVPVSSYSA-N 1 0 331.350 0.382 20 5 ECBDRO CNS(=O)(=O)c1ccc(N2CC[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000261816759 277291361 /nfs/dbraw/zinc/29/13/61/277291361.db2.gz GWHWARQBPLONBJ-QWRGUYRKSA-N 1 0 340.405 0.549 20 5 ECBDRO COC[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000178001467 277596774 /nfs/dbraw/zinc/59/67/74/277596774.db2.gz UYRQVYZGERAEKH-AWEZNQCLSA-N 1 0 343.405 0.888 20 5 ECBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)C[NH+]1CCN(C)CC1 ZINC000176013487 278207316 /nfs/dbraw/zinc/20/73/16/278207316.db2.gz BGYFOZUVRHYOAL-LLVKDONJSA-N 1 0 337.380 0.309 20 5 ECBDRO C[C@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]1 ZINC000422949496 279471000 /nfs/dbraw/zinc/47/10/00/279471000.db2.gz VHOGZNZNRGYQLF-SMDDNHRTSA-N 1 0 342.421 0.603 20 5 ECBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000354398339 437605486 /nfs/dbraw/zinc/60/54/86/437605486.db2.gz GIBZSODEWFVDGX-LLVKDONJSA-N 1 0 336.396 0.328 20 5 ECBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(O)(C[NH+]3CCOCC3)CC2)n1 ZINC000371809668 281010612 /nfs/dbraw/zinc/01/06/12/281010612.db2.gz OYISJCOWRPCWIP-UHFFFAOYSA-N 1 0 336.392 0.962 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1CCNC1=O ZINC000340222315 437611326 /nfs/dbraw/zinc/61/13/26/437611326.db2.gz KPKGQKTZDGEPPI-GFCCVEGCSA-N 1 0 336.348 0.752 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)c1 ZINC000339762932 297381120 /nfs/dbraw/zinc/38/11/20/297381120.db2.gz BFVQNTZXVPVJGD-RBSFLKMASA-N 1 0 340.380 0.062 20 5 ECBDRO CS(=O)(=O)c1ccc(N2CCC([NH2+]CCO)CC2)c([N+](=O)[O-])c1 ZINC000342226468 297721770 /nfs/dbraw/zinc/72/17/70/297721770.db2.gz LTZQKUSSYHAPKC-UHFFFAOYSA-N 1 0 343.405 0.549 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H](CO)C1CCOCC1 ZINC000343740751 297921593 /nfs/dbraw/zinc/92/15/93/297921593.db2.gz FXDBSMLKSBMMAC-KBPBESRZSA-N 1 0 340.376 0.712 20 5 ECBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)C[NH+](C)C ZINC000346219036 298239419 /nfs/dbraw/zinc/23/94/19/298239419.db2.gz JMYAISCVLSFSNF-MWLCHTKSSA-N 1 0 326.401 0.894 20 5 ECBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+]([C@@H]4COC[C@@H]4O)CC3)nc2c1 ZINC000361333417 300083364 /nfs/dbraw/zinc/08/33/64/300083364.db2.gz AEAREVXTEHRDSZ-CABCVRRESA-N 1 0 347.375 0.743 20 5 ECBDRO 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Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1[N+](=O)[O-] ZINC000151620025 436705691 /nfs/dbraw/zinc/70/56/91/436705691.db2.gz XTFKDXSXYCMEKM-LBPRGKRZSA-N 1 0 336.396 0.380 20 5 ECBDRO COCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000067159449 436707152 /nfs/dbraw/zinc/70/71/52/436707152.db2.gz YRTKGUQSFLBTJH-UHFFFAOYSA-N 1 0 339.348 0.674 20 5 ECBDRO COCCN1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000194552698 436667567 /nfs/dbraw/zinc/66/75/67/436667567.db2.gz RRZOFNIYZMXJLO-UHFFFAOYSA-N 1 0 343.405 0.856 20 5 ECBDRO C[C@@H](C[NH3+])CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000237360415 436733295 /nfs/dbraw/zinc/73/32/95/436733295.db2.gz CIOUHTZOOUNVNB-VHSXEESVSA-N 1 0 340.405 0.972 20 5 ECBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000568783494 302499525 /nfs/dbraw/zinc/49/95/25/302499525.db2.gz VRWGVMJKZLRHBU-NEPJUHHUSA-N 1 0 347.375 0.987 20 5 ECBDRO Cc1cc(=O)c(C(=O)NCCC[NH3+])nn1-c1ccccc1[N+](=O)[O-] ZINC000237541568 436737501 /nfs/dbraw/zinc/73/75/01/436737501.db2.gz GZBQDRVLRSPGCP-UHFFFAOYSA-N 1 0 331.332 0.528 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000237621644 436739796 /nfs/dbraw/zinc/73/97/96/436739796.db2.gz CIXGXCSMNROKBM-NWDGAFQWSA-N 1 0 334.376 0.829 20 5 ECBDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000152923959 436743692 /nfs/dbraw/zinc/74/36/92/436743692.db2.gz OOSDTTYYOCRBDG-MRXNPFEDSA-N 1 0 347.375 0.823 20 5 ECBDRO C[C@]1(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC[NH2+]C1 ZINC000237797816 436744041 /nfs/dbraw/zinc/74/40/41/436744041.db2.gz ZGIRFOICFXHRNI-KRWDZBQOSA-N 1 0 346.387 0.879 20 5 ECBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000237891472 436748209 /nfs/dbraw/zinc/74/82/09/436748209.db2.gz YTLITYVOKNVOLY-CYBMUJFWSA-N 1 0 334.376 0.451 20 5 ECBDRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000125057532 436762003 /nfs/dbraw/zinc/76/20/03/436762003.db2.gz MEEMQKQZIYPXJK-KWQFWETISA-N 1 0 333.341 0.471 20 5 ECBDRO Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000274429593 436825503 /nfs/dbraw/zinc/82/55/03/436825503.db2.gz NILVJMAAWPKIGE-BXUZGUMPSA-N 1 0 334.376 0.971 20 5 ECBDRO O=C(NCCc1cn2c(n1)CCCC2)NCCn1cc([N+](=O)[O-])cn1 ZINC000133121495 436875917 /nfs/dbraw/zinc/87/59/17/436875917.db2.gz RIRKGWPNEQMCDL-UHFFFAOYSA-N 1 0 347.379 0.866 20 5 ECBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000161482084 436892707 /nfs/dbraw/zinc/89/27/07/436892707.db2.gz DBHHHVXNECBOME-ZDUSSCGKSA-N 1 0 336.396 0.919 20 5 ECBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000262042716 436904266 /nfs/dbraw/zinc/90/42/66/436904266.db2.gz GKMPYBFXLJRZRR-JTQLQIEISA-N 1 0 335.364 0.104 20 5 ECBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC[N@@H+]1CC(C)(C)O ZINC000275453818 436970323 /nfs/dbraw/zinc/97/03/23/436970323.db2.gz GVBYISDKODHQOF-JTQLQIEISA-N 1 0 337.380 0.370 20 5 ECBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000264367871 437021329 /nfs/dbraw/zinc/02/13/29/437021329.db2.gz DJRQDRMMPHONTH-NSHDSACASA-N 1 0 346.391 0.837 20 5 ECBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000264426900 437029471 /nfs/dbraw/zinc/02/94/71/437029471.db2.gz LHEJFTGDUWLPBO-JTQLQIEISA-N 1 0 339.371 0.682 20 5 ECBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000264487397 437036872 /nfs/dbraw/zinc/03/68/72/437036872.db2.gz IVIJJVFOFDPDPW-ZDUSSCGKSA-N 1 0 338.339 0.804 20 5 ECBDRO O=C(CNc1ccccc1[N+](=O)[O-])NCCC[NH+]1CCC(O)CC1 ZINC000172344366 437011496 /nfs/dbraw/zinc/01/14/96/437011496.db2.gz OXDQZEBOUXSZMD-UHFFFAOYSA-N 1 0 336.392 0.970 20 5 ECBDRO C[C@H](O)C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](C)CO ZINC000276149051 437064206 /nfs/dbraw/zinc/06/42/06/437064206.db2.gz DNLCHJADQBPDPL-RWMBFGLXSA-N 1 0 328.365 0.398 20 5 ECBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000264702831 437068471 /nfs/dbraw/zinc/06/84/71/437068471.db2.gz DGNPQMZVTSOSHY-CYBMUJFWSA-N 1 0 336.392 0.726 20 5 ECBDRO C[NH+](C)CC(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000175956185 437125754 /nfs/dbraw/zinc/12/57/54/437125754.db2.gz GFBIFCZQDNMVPT-UHFFFAOYSA-N 1 0 335.364 0.023 20 5 ECBDRO CNC(=O)[C@H](C)C[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000176353906 437139959 /nfs/dbraw/zinc/13/99/59/437139959.db2.gz XBURSQGCORLHSA-YPMHNXCESA-N 1 0 325.365 0.648 20 5 ECBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000331993567 437192169 /nfs/dbraw/zinc/19/21/69/437192169.db2.gz YGTRNERTCOZALL-OLZOCXBDSA-N 1 0 334.376 0.842 20 5 ECBDRO Nc1c(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000178075099 437205893 /nfs/dbraw/zinc/20/58/93/437205893.db2.gz IBONINJFZAFMIL-GFCCVEGCSA-N 1 0 334.376 0.971 20 5 ECBDRO CCOc1ccc(NC(=O)CN(CCO)C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000289656044 437430408 /nfs/dbraw/zinc/43/04/08/437430408.db2.gz FBRTYKSNJWIEAH-LLVKDONJSA-N 1 0 341.364 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437634894 /nfs/dbraw/zinc/63/48/94/437634894.db2.gz MCLZNTLWLROXJZ-CQSZACIVSA-N 1 0 336.440 0.892 20 5 ECBDRO C[C@H]1C[N@H+](C)CCN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000343779145 437656437 /nfs/dbraw/zinc/65/64/37/437656437.db2.gz JCATXEOSNLDWLP-JTQLQIEISA-N 1 0 336.348 0.898 20 5 ECBDRO CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292284991 437676504 /nfs/dbraw/zinc/67/65/04/437676504.db2.gz TWIWTQSQOPWXDI-KGLIPLIRSA-N 1 0 343.405 0.594 20 5 ECBDRO C[C@H]1COCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000192567794 437681993 /nfs/dbraw/zinc/68/19/93/437681993.db2.gz SDNMSYNZPRGTHV-RYUDHWBXSA-N 1 0 343.405 0.888 20 5 ECBDRO COc1c(F)cc(S(=O)(=O)NCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000193258842 437707023 /nfs/dbraw/zinc/70/70/23/437707023.db2.gz FOIDPPAJXQCIOS-UHFFFAOYSA-N 1 0 333.341 0.773 20 5 ECBDRO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000362606328 437746190 /nfs/dbraw/zinc/74/61/90/437746190.db2.gz NHXJMUSGHDJXMM-CMPLNLGQSA-N 1 0 327.385 0.387 20 5 ECBDRO [NH3+][C@@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000415294333 437777009 /nfs/dbraw/zinc/77/70/09/437777009.db2.gz NYGQHPMSAIJHNR-SSDOTTSWSA-N 1 0 344.274 0.694 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000423702877 437807990 /nfs/dbraw/zinc/80/79/90/437807990.db2.gz ZCYOALZXVUNJRT-ZIAGYGMSSA-N 1 0 346.387 0.843 20 5 ECBDRO COc1ccc(NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000415623236 437833395 /nfs/dbraw/zinc/83/33/95/437833395.db2.gz MCYVKKVDZPCIER-GXSJLCMTSA-N 1 0 336.348 0.656 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415642399 437836308 /nfs/dbraw/zinc/83/63/08/437836308.db2.gz HILPTPJGYXMIRT-VHSXEESVSA-N 1 0 336.348 0.928 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000365318242 437894616 /nfs/dbraw/zinc/89/46/16/437894616.db2.gz NYQNDLCPOKJMLS-NSHDSACASA-N 1 0 343.409 0.328 20 5 ECBDRO Cn1cc([C@@H]2CN(C(=O)Cc3cccc([N+](=O)[O-])c3)C[C@H]2[NH3+])cn1 ZINC000424228474 437907868 /nfs/dbraw/zinc/90/78/68/437907868.db2.gz SXWKUNXRNGHRLH-LSDHHAIUSA-N 1 0 329.360 0.824 20 5 ECBDRO O=C(NC[C@@H]1CN2CCCC[C@H]2CO1)Nc1ccncc1[N+](=O)[O-] ZINC000371578966 437960612 /nfs/dbraw/zinc/96/06/12/437960612.db2.gz HCPUFSGLUUFQJB-NWDGAFQWSA-N 1 0 335.364 0.787 20 5 ECBDRO CS[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1[NH+](C)C ZINC000342543607 438029555 /nfs/dbraw/zinc/02/95/55/438029555.db2.gz KFRCZRPKRIZKJQ-YNEHKIRRSA-N 1 0 329.426 0.130 20 5 ECBDRO COC(=O)c1cnc(N2CC[C@@H](OCC[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000357695138 438046582 /nfs/dbraw/zinc/04/65/82/438046582.db2.gz IPTGFUIXKGBZER-GFCCVEGCSA-N 1 0 338.364 0.933 20 5 ECBDRO C[C@@H](C[NH3+])CNC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000418017060 438102070 /nfs/dbraw/zinc/10/20/70/438102070.db2.gz GRKLXARVTVRLFM-JTQLQIEISA-N 1 0 344.393 0.263 20 5 ECBDRO Cc1c(C(=O)NCCCC[NH3+])cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000357784971 438067257 /nfs/dbraw/zinc/06/72/57/438067257.db2.gz BGOVPVWOQZJZAJ-UHFFFAOYSA-N 1 0 330.366 0.019 20 5 ECBDRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000358202231 438179872 /nfs/dbraw/zinc/17/98/72/438179872.db2.gz RDHACWDHYSODSR-LBPRGKRZSA-N 1 0 349.796 0.593 20 5 ECBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358219265 438183926 /nfs/dbraw/zinc/18/39/26/438183926.db2.gz XXOIBYIQCKBXHB-AWEZNQCLSA-N 1 0 343.405 0.502 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358216971 438184869 /nfs/dbraw/zinc/18/48/69/438184869.db2.gz UWMLJAVSFYBSKR-ZDUSSCGKSA-N 1 0 329.378 0.248 20 5 ECBDRO COCCCN(C(=O)c1cc([N+](=O)[O-])nn1C)C1CC[NH+](C)CC1 ZINC000358224250 438186040 /nfs/dbraw/zinc/18/60/40/438186040.db2.gz BODSVEWTYRDPRV-UHFFFAOYSA-N 1 0 339.396 0.901 20 5 ECBDRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000367270840 438190951 /nfs/dbraw/zinc/19/09/51/438190951.db2.gz MKLOSYVDWJXSSF-SNVBAGLBSA-N 1 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ZINC000418936891 438256082 /nfs/dbraw/zinc/25/60/82/438256082.db2.gz KPAXPQDTGIMHNA-MFKMUULPSA-N 1 0 348.359 0.040 20 5 ECBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2C(=O)NC[C@@H]2C1 ZINC000368059137 438282336 /nfs/dbraw/zinc/28/23/36/438282336.db2.gz XUBDWBJQBHDFQT-YPMHNXCESA-N 1 0 332.360 0.910 20 5 ECBDRO O=C1NC[C@@H]2C[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CC[C@@H]12 ZINC000368073460 438284710 /nfs/dbraw/zinc/28/47/10/438284710.db2.gz ZYAWYDNVDXHFGH-FRRDWIJNSA-N 1 0 335.360 0.402 20 5 ECBDRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351565424 438290060 /nfs/dbraw/zinc/29/00/60/438290060.db2.gz AOYHMDDUBCMPAP-UHFFFAOYSA-N 1 0 342.327 0.367 20 5 ECBDRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000418920422 438249341 /nfs/dbraw/zinc/24/93/41/438249341.db2.gz HEVQTOCFKOIEHI-CQSZACIVSA-N 1 0 348.403 0.841 20 5 ECBDRO CC[NH2+][C@H](C)CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000358943216 438335284 /nfs/dbraw/zinc/33/52/84/438335284.db2.gz OEFXPFPSTITLPN-LLVKDONJSA-N 1 0 337.380 0.508 20 5 ECBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)CN2c3cc([N+](=O)[O-])ccc3OCC2=O)C1 ZINC000351819664 438345888 /nfs/dbraw/zinc/34/58/88/438345888.db2.gz CSKXTAORKMJTQL-MNOVXSKESA-N 1 0 348.359 0.516 20 5 ECBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000352022996 438371417 /nfs/dbraw/zinc/37/14/17/438371417.db2.gz STFKPOYODNKEKV-RYUDHWBXSA-N 1 0 337.332 0.320 20 5 ECBDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000435807824 438387060 /nfs/dbraw/zinc/38/70/60/438387060.db2.gz JZDJRRJBIUPHLR-SNVBAGLBSA-N 1 0 333.414 0.820 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCCO2)c(Cl)c1 ZINC000390258575 438431593 /nfs/dbraw/zinc/43/15/93/438431593.db2.gz VHKCCRGYKJOYKQ-SNVBAGLBSA-N 1 0 349.796 0.905 20 5 ECBDRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)C2)CC1 ZINC000369251962 438443460 /nfs/dbraw/zinc/44/34/60/438443460.db2.gz DGAOZSLXZYJSMM-LLVKDONJSA-N 1 0 349.391 0.594 20 5 ECBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000420630613 438415196 /nfs/dbraw/zinc/41/51/96/438415196.db2.gz FCFTWLHDFZQKSW-NSHDSACASA-N 1 0 328.394 0.773 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC[C@@H]2Cn2ccnn2)c1 ZINC000369379699 438462554 /nfs/dbraw/zinc/46/25/54/438462554.db2.gz NYZSYUSGBOYTDM-TZMCWYRMSA-N 1 0 335.368 0.298 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC[C@H]2Cn2ccnn2)c1 ZINC000369379696 438462574 /nfs/dbraw/zinc/46/25/74/438462574.db2.gz NYZSYUSGBOYTDM-GXTWGEPZSA-N 1 0 335.368 0.298 20 5 ECBDRO [NH3+]CCCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440351495 438545336 /nfs/dbraw/zinc/54/53/36/438545336.db2.gz AUSAZGPAOVWMEN-UHFFFAOYSA-N 1 0 338.183 0.984 20 5 ECBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000408450581 438575426 /nfs/dbraw/zinc/57/54/26/438575426.db2.gz FVUXJGAIEZQQIJ-YPMHNXCESA-N 1 0 334.380 0.662 20 5 ECBDRO C[C@@H]1CN(C(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC[NH2+]1 ZINC000423107528 438638207 /nfs/dbraw/zinc/63/82/07/438638207.db2.gz SHMIGPZJLDPACN-GFCCVEGCSA-N 1 0 346.387 0.906 20 5 ECBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)/C=C\c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000493866742 438654200 /nfs/dbraw/zinc/65/42/00/438654200.db2.gz DFJBACXJWQTUIQ-OQOSRZTISA-N 1 0 330.344 0.378 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000423575859 438690097 /nfs/dbraw/zinc/69/00/97/438690097.db2.gz ZDGKVNKOMYQQOD-GWCFXTLKSA-N 1 0 334.376 0.747 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000576123555 438770604 /nfs/dbraw/zinc/77/06/04/438770604.db2.gz PTDXXSFVUSTDAJ-QWRGUYRKSA-N 1 0 349.347 0.379 20 5 ECBDRO COc1ccc(C[NH2+]C[C@H](O)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000555911908 438779575 /nfs/dbraw/zinc/77/95/75/438779575.db2.gz FCUHZPZXYPOGQH-ZDUSSCGKSA-N 1 0 325.365 0.386 20 5 ECBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000514799990 438832063 /nfs/dbraw/zinc/83/20/63/438832063.db2.gz ZQSCRSYXRRBLER-SWHYSGLUSA-N 1 0 347.375 0.166 20 5 ECBDRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000595631893 438837279 /nfs/dbraw/zinc/83/72/79/438837279.db2.gz LHRNGXMYWWBSCB-NWANDNLSSA-N 1 0 339.392 0.912 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(O)(CO)CC1 ZINC000595731901 438851586 /nfs/dbraw/zinc/85/15/86/438851586.db2.gz IGUBJESXIIOGTB-LBPRGKRZSA-N 1 0 326.349 0.154 20 5 ECBDRO C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000595984103 438907981 /nfs/dbraw/zinc/90/79/81/438907981.db2.gz UYFNWTAOPKSYOP-UWVGGRQHSA-N 1 0 340.405 0.985 20 5 ECBDRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000516085391 438889892 /nfs/dbraw/zinc/88/98/92/438889892.db2.gz OKWSKSDWOAHXME-MRXNPFEDSA-N 1 0 349.343 0.510 20 5 ECBDRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000595944121 438891346 /nfs/dbraw/zinc/89/13/46/438891346.db2.gz VEXJCPMSOSEZEA-LSDHHAIUSA-N 1 0 334.376 0.607 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000589928003 438892318 /nfs/dbraw/zinc/89/23/18/438892318.db2.gz CGILVUCAKHETLF-CMPLNLGQSA-N 1 0 341.389 0.928 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000589928947 438893516 /nfs/dbraw/zinc/89/35/16/438893516.db2.gz IAALWVZKOPTMLS-ZWNOBZJWSA-N 1 0 341.389 0.928 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000595989210 438908913 /nfs/dbraw/zinc/90/89/13/438908913.db2.gz QYKYKHWCTWBHRT-SGWRBKMISA-N 1 0 332.360 0.581 20 5 ECBDRO C[C@@]1(NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000595991020 438910973 /nfs/dbraw/zinc/91/09/73/438910973.db2.gz FTJAVLRGFLMDLR-CQSZACIVSA-N 1 0 340.767 0.846 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000590354943 438911353 /nfs/dbraw/zinc/91/13/53/438911353.db2.gz DXPCORMZUXVGRA-ZDUSSCGKSA-N 1 0 334.376 0.723 20 5 ECBDRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000590402418 438919272 /nfs/dbraw/zinc/91/92/72/438919272.db2.gz TUAKHAIBMJYVSS-UONOGXRCSA-N 1 0 337.380 0.503 20 5 ECBDRO [NH3+][C@H]1C[C@H]2CN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])CCN2C1=O ZINC000578453654 438925634 /nfs/dbraw/zinc/92/56/34/438925634.db2.gz AQMJHEQIZNHCAG-WPRPVWTQSA-N 1 0 338.751 0.632 20 5 ECBDRO NS(=O)(=O)c1ccc(NCC[NH+]2CCSCC2)cc1[N+](=O)[O-] ZINC000596120898 438928029 /nfs/dbraw/zinc/92/80/29/438928029.db2.gz CIEAZQSLFBHCMG-UHFFFAOYSA-N 1 0 346.434 0.703 20 5 ECBDRO CN(CC(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1)c1ccccc1[N+](=O)[O-] ZINC000590551473 438931543 /nfs/dbraw/zinc/93/15/43/438931543.db2.gz YIHTVXOYNDWSAZ-KBPBESRZSA-N 1 0 348.403 0.699 20 5 ECBDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000590556155 438933023 /nfs/dbraw/zinc/93/30/23/438933023.db2.gz YHDWVGJWXQEHHK-LBPRGKRZSA-N 1 0 337.380 0.503 20 5 ECBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000596263635 438949589 /nfs/dbraw/zinc/94/95/89/438949589.db2.gz LORHYTGJICARFN-SKDRFNHKSA-N 1 0 326.378 0.383 20 5 ECBDRO C[C@@H](CN(C)CCC[NH+](C)C)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000596360412 438958712 /nfs/dbraw/zinc/95/87/12/438958712.db2.gz GXCZLJWDWILJMP-NSHDSACASA-N 1 0 338.412 0.773 20 5 ECBDRO CNc1nccc(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000565607852 438964490 /nfs/dbraw/zinc/96/44/90/438964490.db2.gz MLSGJOYKJDSMCR-LLVKDONJSA-N 1 0 337.380 0.608 20 5 ECBDRO O=[N+]([O-])c1cnc2ccc(N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)nn21 ZINC000596540578 438974120 /nfs/dbraw/zinc/97/41/20/438974120.db2.gz VACFZPJWHZUGHO-GFCCVEGCSA-N 1 0 332.364 0.673 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cccc1[N+](=O)[O-] ZINC000591415936 439010455 /nfs/dbraw/zinc/01/04/55/439010455.db2.gz YBWNGMPJTQMEAZ-JSGCOSHPSA-N 1 0 346.387 0.730 20 5 ECBDRO C[NH+](C)[C@H]1CN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1O ZINC000596585878 438977335 /nfs/dbraw/zinc/97/73/35/438977335.db2.gz ATKMLDVHDQURFM-STQMWFEESA-N 1 0 348.363 0.287 20 5 ECBDRO COc1c(C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000565786019 438979767 /nfs/dbraw/zinc/97/97/67/438979767.db2.gz YQPYMENMCLEKIJ-SNVBAGLBSA-N 1 0 338.364 0.400 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccc3c(c2)OCCO3)c1 ZINC000579190752 438987830 /nfs/dbraw/zinc/98/78/30/438987830.db2.gz BXBCHSDKFOKABF-ZDUSSCGKSA-N 1 0 334.332 0.713 20 5 ECBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000566092226 439005140 /nfs/dbraw/zinc/00/51/40/439005140.db2.gz UUIBZXVBCIBMNY-NEPJUHHUSA-N 1 0 346.387 0.675 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccnc(N3CCCC3)c2)c1 ZINC000566107533 439007821 /nfs/dbraw/zinc/00/78/21/439007821.db2.gz LKUFTFCRNTZKNV-OAHLLOKOSA-N 1 0 346.391 0.937 20 5 ECBDRO O=C(CCOC1C[NH2+]C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000591675048 439058677 /nfs/dbraw/zinc/05/86/77/439058677.db2.gz OXOJKXADFDFMMH-UHFFFAOYSA-N 1 0 335.364 0.017 20 5 ECBDRO CC1(C)C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000591678192 439059383 /nfs/dbraw/zinc/05/93/83/439059383.db2.gz MFYIXJATHFNLBE-UHFFFAOYSA-N 1 0 341.389 0.822 20 5 ECBDRO CN(C)c1nccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000580423005 439089859 /nfs/dbraw/zinc/08/98/59/439089859.db2.gz BBBVOKDCUJEKAB-ZDUSSCGKSA-N 1 0 347.375 0.980 20 5 ECBDRO COc1nc(C)cc(C)c1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591737042 439077927 /nfs/dbraw/zinc/07/79/27/439077927.db2.gz SKKPGFFXWZHNOY-CYBMUJFWSA-N 1 0 335.364 0.962 20 5 ECBDRO C[NH+]1CCC2(CC1)CN(c1ccc3ncc([N+](=O)[O-])n3n1)CCO2 ZINC000591992582 439128576 /nfs/dbraw/zinc/12/85/76/439128576.db2.gz QJGWJZJNYYNPBF-UHFFFAOYSA-N 1 0 332.364 0.939 20 5 ECBDRO COc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)ccc1[N+](=O)[O-] ZINC000597624793 439141612 /nfs/dbraw/zinc/14/16/12/439141612.db2.gz KZUXCXLJWDAXAI-CYBMUJFWSA-N 1 0 334.376 0.723 20 5 ECBDRO C[NH+](C)C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000597652867 439150116 /nfs/dbraw/zinc/15/01/16/439150116.db2.gz FNTDQSCMNZIRTE-SNVBAGLBSA-N 1 0 343.405 0.332 20 5 ECBDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000597679727 439157714 /nfs/dbraw/zinc/15/77/14/439157714.db2.gz SGCJTEROCWORDJ-NSHDSACASA-N 1 0 337.380 0.654 20 5 ECBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000567626846 439159104 /nfs/dbraw/zinc/15/91/04/439159104.db2.gz YWGBANSHTLMTIM-KRWDZBQOSA-N 1 0 349.387 0.937 20 5 ECBDRO CC(C)N1C[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000567682371 439164844 /nfs/dbraw/zinc/16/48/44/439164844.db2.gz OYFZEAGVFUZRAY-JSGCOSHPSA-N 1 0 337.376 0.933 20 5 ECBDRO O=C(CC[NH2+]C[C@H](O)Cn1ccnn1)Nc1ccccc1[N+](=O)[O-] ZINC000567874452 439190255 /nfs/dbraw/zinc/19/02/55/439190255.db2.gz NXCDQYFBZZBOKK-NSHDSACASA-N 1 0 334.336 0.166 20 5 ECBDRO [NH3+]CCC1CCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000581256702 439191741 /nfs/dbraw/zinc/19/17/41/439191741.db2.gz HORFBOBCDZZNQN-UHFFFAOYSA-N 1 0 348.403 0.841 20 5 ECBDRO COC(=O)c1cc(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000592309519 439200349 /nfs/dbraw/zinc/20/03/49/439200349.db2.gz RYPNJMXGBUDYQW-RNCFNFMXSA-N 1 0 337.332 0.570 20 5 ECBDRO CCc1n[nH]c(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000597942239 439201214 /nfs/dbraw/zinc/20/12/14/439201214.db2.gz IVMHIJQJPXPSDE-NSHDSACASA-N 1 0 340.428 0.882 20 5 ECBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000592336907 439206349 /nfs/dbraw/zinc/20/63/49/439206349.db2.gz RHIQAPFGIWLASV-WPRPVWTQSA-N 1 0 340.767 0.926 20 5 ECBDRO Cc1c(Cn2cc(CCN3CC[NH2+]CC3)nn2)cccc1[N+](=O)[O-] ZINC000603196396 439208335 /nfs/dbraw/zinc/20/83/35/439208335.db2.gz JPELXOZGUMUZPJ-UHFFFAOYSA-N 1 0 330.392 0.991 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000592376161 439213561 /nfs/dbraw/zinc/21/35/61/439213561.db2.gz ZRLXPZPDMQMOOG-KOLCDFICSA-N 1 0 345.377 0.340 20 5 ECBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000592374026 439213819 /nfs/dbraw/zinc/21/38/19/439213819.db2.gz HBTBBXWBILISTC-DGCLKSJQSA-N 1 0 343.405 0.948 20 5 ECBDRO COc1cc(Cn2cc(CCN3CC[NH2+]CC3)nn2)ccc1[N+](=O)[O-] ZINC000603243016 439217492 /nfs/dbraw/zinc/21/74/92/439217492.db2.gz HDFRHXHZYMPTQR-UHFFFAOYSA-N 1 0 346.391 0.691 20 5 ECBDRO CCn1cc(S(=O)(=O)N2C[C@@H](F)C[C@H]2C[NH2+]C)c([N+](=O)[O-])n1 ZINC000592388101 439218021 /nfs/dbraw/zinc/21/80/21/439218021.db2.gz XVZBHHUDKSSVNL-IUCAKERBSA-N 1 0 335.361 0.132 20 5 ECBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)n1 ZINC000598541861 439277155 /nfs/dbraw/zinc/27/71/55/439277155.db2.gz WQTXJVYOQDFBJO-LBPRGKRZSA-N 1 0 339.396 0.994 20 5 ECBDRO CC(C)[C@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000598576399 439279528 /nfs/dbraw/zinc/27/95/28/439279528.db2.gz SAERVHGBPWINRT-CQSZACIVSA-N 1 0 334.376 0.781 20 5 ECBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)CCN1CC[NH2+]CC1 ZINC000592472082 439235782 /nfs/dbraw/zinc/23/57/82/439235782.db2.gz ISNPWKKVHKZAMN-UHFFFAOYSA-N 1 0 335.408 0.679 20 5 ECBDRO C[C@@H]([NH3+])[C@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000592475170 439237215 /nfs/dbraw/zinc/23/72/15/439237215.db2.gz ZHKCZYVSOLWYQG-IAQYHMDHSA-N 1 0 334.376 0.532 20 5 ECBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000598261007 439245084 /nfs/dbraw/zinc/24/50/84/439245084.db2.gz CLAHPHRCCROESX-CYBMUJFWSA-N 1 0 336.392 0.993 20 5 ECBDRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000592556283 439252206 /nfs/dbraw/zinc/25/22/06/439252206.db2.gz SQJPEAGXIFJMCC-GFCCVEGCSA-N 1 0 325.296 0.711 20 5 ECBDRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000592553615 439252776 /nfs/dbraw/zinc/25/27/76/439252776.db2.gz QTFCFEZWSLPPOR-GFCCVEGCSA-N 1 0 325.296 0.711 20 5 ECBDRO CC(C)N1CC[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000582416139 439332343 /nfs/dbraw/zinc/33/23/43/439332343.db2.gz XMVRSMIQUZQNLW-DZGCQCFKSA-N 1 0 337.376 0.933 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(Cn3cnnc3)CC2)c1 ZINC000593076269 439338191 /nfs/dbraw/zinc/33/81/91/439338191.db2.gz KTJQWPKTDBFBEK-CQSZACIVSA-N 1 0 335.368 0.156 20 5 ECBDRO Cc1nn(CCC(=O)NC[C@@H]2C[NH2+]CCCO2)c(C)c1[N+](=O)[O-] ZINC000568999619 439297115 /nfs/dbraw/zinc/29/71/15/439297115.db2.gz OHYACMQXVWQMMV-LBPRGKRZSA-N 1 0 325.369 0.293 20 5 ECBDRO CCc1n[nH]c(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000592898645 439300031 /nfs/dbraw/zinc/30/00/31/439300031.db2.gz LGBNMXPTWVQEQK-UHFFFAOYSA-N 1 0 337.380 0.817 20 5 ECBDRO O=C(NCC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)Nc1cccc([N+](=O)[O-])c1 ZINC000598665912 439300267 /nfs/dbraw/zinc/30/02/67/439300267.db2.gz SXVGGIPDBRYTAV-BXUZGUMPSA-N 1 0 347.375 0.927 20 5 ECBDRO C[NH2+]CCOCCN(C)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000599107635 439360252 /nfs/dbraw/zinc/36/02/52/439360252.db2.gz PUVDVCHDFUDXKJ-UHFFFAOYSA-N 1 0 345.421 0.635 20 5 ECBDRO C[NH+](C)CCN1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O ZINC000593131454 439347158 /nfs/dbraw/zinc/34/71/58/439347158.db2.gz JNYWDYOJHWRSJI-UHFFFAOYSA-N 1 0 335.364 0.833 20 5 ECBDRO COc1cc(C(=O)N2CCN(C)C[C@H]2C[NH3+])cc([N+](=O)[O-])c1OC ZINC000569602676 439347843 /nfs/dbraw/zinc/34/78/43/439347843.db2.gz JMQAPQMGFSKBTK-LLVKDONJSA-N 1 0 338.364 0.327 20 5 ECBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1(C[NH3+])CCOCC1 ZINC000599102171 439357138 /nfs/dbraw/zinc/35/71/38/439357138.db2.gz IGCQQKSJGVODMY-UHFFFAOYSA-N 1 0 329.378 0.689 20 5 ECBDRO [NH3+]CC1(NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000599101305 439357711 /nfs/dbraw/zinc/35/77/11/439357711.db2.gz BZNLGTDPJXOIDC-UHFFFAOYSA-N 1 0 343.405 0.565 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)n1 ZINC000599229112 439390718 /nfs/dbraw/zinc/39/07/18/439390718.db2.gz REZSZFLXYRCEHN-LLVKDONJSA-N 1 0 343.409 0.577 20 5 ECBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000599244983 439397707 /nfs/dbraw/zinc/39/77/07/439397707.db2.gz OUXZDVAZBRIHNS-MNOVXSKESA-N 1 0 345.425 0.679 20 5 ECBDRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593546468 439400894 /nfs/dbraw/zinc/40/08/94/439400894.db2.gz LQQGARSYFKYJQO-NSHDSACASA-N 1 0 328.394 0.952 20 5 ECBDRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593560659 439405652 /nfs/dbraw/zinc/40/56/52/439405652.db2.gz UYBRVDKTUOIINK-GFCCVEGCSA-N 1 0 346.409 0.625 20 5 ECBDRO C[NH+](C)CCN1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1=O ZINC000593485712 439387034 /nfs/dbraw/zinc/38/70/34/439387034.db2.gz BLCQZYQSTBOKFE-UHFFFAOYSA-N 1 0 344.375 0.748 20 5 ECBDRO CC(C)C[N@H+](C)CCCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599337072 439440186 /nfs/dbraw/zinc/44/01/86/439440186.db2.gz VVXBXBFFRVZQMG-UHFFFAOYSA-N 1 0 333.414 0.585 20 5 ECBDRO C[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000583020263 439408356 /nfs/dbraw/zinc/40/83/56/439408356.db2.gz QWDCHJGSZZDMQC-SNVBAGLBSA-N 1 0 329.378 0.946 20 5 ECBDRO CNc1c(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cccc1[N+](=O)[O-] ZINC000593784887 439465547 /nfs/dbraw/zinc/46/55/47/439465547.db2.gz VDWZNBXYODODFM-UHFFFAOYSA-N 1 0 349.391 0.483 20 5 ECBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CCN2C1=O ZINC000583511173 439476223 /nfs/dbraw/zinc/47/62/23/439476223.db2.gz RZFVBTOAMOHLOP-JOYOIKCWSA-N 1 0 338.751 0.632 20 5 ECBDRO CCC(C)(C)[NH+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000594020837 439507028 /nfs/dbraw/zinc/50/70/28/439507028.db2.gz MICCDECLVVOMMT-CQSZACIVSA-N 1 0 325.413 0.958 20 5 ECBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594026648 439508557 /nfs/dbraw/zinc/50/85/57/439508557.db2.gz GKCOVFFLMNZURT-TUKIKUTGSA-N 1 0 334.376 0.673 20 5 ECBDRO CNC(=O)c1cccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000583376532 439456739 /nfs/dbraw/zinc/45/67/39/439456739.db2.gz RQCCLXWIHSNPEE-AWEZNQCLSA-N 1 0 333.348 0.302 20 5 ECBDRO Cc1c(C(=O)N[C@H](C)CCC[NH3+])cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000571643226 439518230 /nfs/dbraw/zinc/51/82/30/439518230.db2.gz ZZSMJTMQPTXSQB-MRVPVSSYSA-N 1 0 344.393 0.408 20 5 ECBDRO CC(C)[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCOCC1 ZINC000583910310 439526906 /nfs/dbraw/zinc/52/69/06/439526906.db2.gz HJDGOZJLRRYIMY-LSDHHAIUSA-N 1 0 341.412 0.099 20 5 ECBDRO CNc1c(C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000594359980 439547507 /nfs/dbraw/zinc/54/75/07/439547507.db2.gz WCBPBKYDMIIDNK-SNVBAGLBSA-N 1 0 337.380 0.433 20 5 ECBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594385095 439552516 /nfs/dbraw/zinc/55/25/16/439552516.db2.gz CHEZCINMTBRCSJ-WDEREUQCSA-N 1 0 341.314 0.693 20 5 ECBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000594404100 439555574 /nfs/dbraw/zinc/55/55/74/439555574.db2.gz RYAWXKCKIIKOFR-VDISTLRHSA-N 1 0 334.376 0.781 20 5 ECBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594420431 439558639 /nfs/dbraw/zinc/55/86/39/439558639.db2.gz TVCMXVXUYQDXMZ-QWHCGFSZSA-N 1 0 334.376 0.890 20 5 ECBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000609269818 439561840 /nfs/dbraw/zinc/56/18/40/439561840.db2.gz XKIIYENJEPONSD-NSHDSACASA-N 1 0 325.369 0.477 20 5 ECBDRO COc1ccc(NC(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000599896763 439571841 /nfs/dbraw/zinc/57/18/41/439571841.db2.gz SHFIGNVIGOVHDL-KOLCDFICSA-N 1 0 336.348 0.799 20 5 ECBDRO COc1ccc(NC(=O)C(=O)NCCOCCC[NH3+])cc1[N+](=O)[O-] ZINC000599901110 439573449 /nfs/dbraw/zinc/57/34/49/439573449.db2.gz USQJEFXQSXBNML-UHFFFAOYSA-N 1 0 340.336 0.024 20 5 ECBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000599900000 439574216 /nfs/dbraw/zinc/57/42/16/439574216.db2.gz OSNFOEJKFOPYQH-WDEREUQCSA-N 1 0 336.348 0.799 20 5 ECBDRO COc1c(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000599941812 439580133 /nfs/dbraw/zinc/58/01/33/439580133.db2.gz YUZNBKIAMXJMEJ-RYUDHWBXSA-N 1 0 335.360 0.885 20 5 ECBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000584458929 439590055 /nfs/dbraw/zinc/59/00/55/439590055.db2.gz BORITHCMVQJNOX-OAHLLOKOSA-N 1 0 333.392 0.784 20 5 ECBDRO [NH3+][C@@H]1C[C@@H]2CN(c3ccc([N+](=O)[O-])c4cnccc43)CCN2C1=O ZINC000594694868 439591965 /nfs/dbraw/zinc/59/19/65/439591965.db2.gz WQDMGBTWPDYMSK-ZWNOBZJWSA-N 1 0 327.344 0.891 20 5 ECBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000572587050 439592989 /nfs/dbraw/zinc/59/29/89/439592989.db2.gz OTKHSJLVIXOIKB-BPLDGKMQSA-N 1 0 346.387 0.797 20 5 ECBDRO [NH3+][C@@H]1C[C@@H]2CN(c3ncnc4sc([N+](=O)[O-])cc43)CCN2C1=O ZINC000594702760 439593306 /nfs/dbraw/zinc/59/33/06/439593306.db2.gz XGHNABXNDCTHIP-VXNVDRBHSA-N 1 0 334.361 0.348 20 5 ECBDRO CC(C)[N@H+](C)C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000594718213 439595980 /nfs/dbraw/zinc/59/59/80/439595980.db2.gz SVLVQVBEAWYPRS-HNNXBMFYSA-N 1 0 337.424 0.813 20 5 ECBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594736729 439599165 /nfs/dbraw/zinc/59/91/65/439599165.db2.gz QWAQQDNGCPNKRR-KBPBESRZSA-N 1 0 334.376 0.737 20 5 ECBDRO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000600100732 439614537 /nfs/dbraw/zinc/61/45/37/439614537.db2.gz TWPGCBOGRARLKN-LBPRGKRZSA-N 1 0 336.348 0.025 20 5 ECBDRO Cc1cc(S(=O)(=O)NC[C@H]2C[NH2+]CCCO2)c(C)cc1[N+](=O)[O-] ZINC000595109516 439653876 /nfs/dbraw/zinc/65/38/76/439653876.db2.gz JCINNBMFNSXSPX-GFCCVEGCSA-N 1 0 343.405 0.868 20 5 ECBDRO CCn1cc(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c([N+](=O)[O-])n1 ZINC000610939673 439659344 /nfs/dbraw/zinc/65/93/44/439659344.db2.gz IBSVQPKKTNJLLY-LLVKDONJSA-N 1 0 343.409 0.574 20 5 ECBDRO CON1CCC([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000574445329 439705691 /nfs/dbraw/zinc/70/56/91/439705691.db2.gz YZOXTHZACCLXHH-CYBMUJFWSA-N 1 0 325.365 0.950 20 5 ECBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCC[N@H+]1CC[C@@H](O)C1 ZINC000600535572 439674969 /nfs/dbraw/zinc/67/49/69/439674969.db2.gz PWAXRLBJILGVOW-CYBMUJFWSA-N 1 0 332.360 0.801 20 5 ECBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCc1nnnn1C ZINC000611327549 439692050 /nfs/dbraw/zinc/69/20/50/439692050.db2.gz IXZQZOKNYNREEF-SNVBAGLBSA-N 1 0 333.352 0.668 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000574271704 439694474 /nfs/dbraw/zinc/69/44/74/439694474.db2.gz YDGCNLYFOVRXBV-VXGBXAGGSA-N 1 0 344.389 0.501 20 5 ECBDRO COc1ccc(C[NH2+]CCNS(=O)(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000276940038 320577112 /nfs/dbraw/zinc/57/71/12/320577112.db2.gz AKSJTPZAIALIFN-UHFFFAOYSA-N 1 0 346.409 0.525 20 5 ECBDRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000327603761 320722944 /nfs/dbraw/zinc/72/29/44/320722944.db2.gz KLCCZFFECPUZEP-AFNCTOJWSA-N 1 0 346.387 0.922 20 5 ECBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344274653 321146311 /nfs/dbraw/zinc/14/63/11/321146311.db2.gz YAJVZXBILXMGCJ-ZDUSSCGKSA-N 1 0 338.339 0.804 20 5 ECBDRO C[C@](CO)([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(O)c1 ZINC000347724735 321248632 /nfs/dbraw/zinc/24/86/32/321248632.db2.gz VENAVDSMXGADBE-LSDHHAIUSA-N 1 0 336.348 0.355 20 5 ECBDRO CN(C)C(=O)CC[NH+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000347853685 321254451 /nfs/dbraw/zinc/25/44/51/321254451.db2.gz AUXVBYZVBXBAOD-UHFFFAOYSA-N 1 0 347.379 0.238 20 5 ECBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H]1COC[C@H]1O ZINC000352799831 321372938 /nfs/dbraw/zinc/37/29/38/321372938.db2.gz MYPRFESLRQIYEH-CHWSQXEVSA-N 1 0 337.332 0.584 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H]1COC[C@@H]1O ZINC000352801786 321373470 /nfs/dbraw/zinc/37/34/70/321373470.db2.gz KMNBAKNUZUYWCI-STQMWFEESA-N 1 0 339.348 0.624 20 5 ECBDRO CCCN(CCN1CC[NH+](CC)CC1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000356590012 321539085 /nfs/dbraw/zinc/53/90/85/321539085.db2.gz CDUZNUYSJBXLQY-UHFFFAOYSA-N 1 0 338.412 0.808 20 5 ECBDRO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000360755951 321612195 /nfs/dbraw/zinc/61/21/95/321612195.db2.gz SBBGNEFKMSZXGF-LLVKDONJSA-N 1 0 339.396 0.493 20 5 ECBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000392946380 321887291 /nfs/dbraw/zinc/88/72/91/321887291.db2.gz XYDJEMJJNPCQAP-BMWLXYDHSA-N 1 0 346.387 0.922 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCn2cnc3ccccc32)c1 ZINC000562449917 322274897 /nfs/dbraw/zinc/27/48/97/322274897.db2.gz WVDKWVSZTZWREZ-CYBMUJFWSA-N 1 0 330.348 0.792 20 5 ECBDRO C[C@H](C[S@](C)=O)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000563014603 322292652 /nfs/dbraw/zinc/29/26/52/322292652.db2.gz ZDNBFDWILSTPNM-SBKAZYGRSA-N 1 0 334.419 0.725 20 5 ECBDRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000563619464 322333357 /nfs/dbraw/zinc/33/33/57/322333357.db2.gz GWSKFOKJIXHYIQ-LLVKDONJSA-N 1 0 334.376 0.797 20 5 ECBDRO CC[NH2+]CCCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000564570384 322380941 /nfs/dbraw/zinc/38/09/41/322380941.db2.gz VRYGYTYMJYRJSY-UHFFFAOYSA-N 1 0 345.377 0.644 20 5 ECBDRO COC(=O)c1cc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc(C)c1[N+](=O)[O-] ZINC000566491245 322537560 /nfs/dbraw/zinc/53/75/60/322537560.db2.gz SVKBNMSFDFKGIC-DGCLKSJQSA-N 1 0 348.359 0.438 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC2C[NH2+]C2)c(Br)c1 ZINC000568881106 322636223 /nfs/dbraw/zinc/63/62/23/322636223.db2.gz DXYGOXVGAKGFBM-UHFFFAOYSA-N 1 0 336.167 0.607 20 5 ECBDRO [NH3+][C@H]1C[C@H]2CN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])CCN2C1=O ZINC000568883590 322636529 /nfs/dbraw/zinc/63/65/29/322636529.db2.gz NEHMNZIEGCXLHE-YUMQZZPRSA-N 1 0 345.281 0.757 20 5 ECBDRO C[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])C(=O)NCC[NH+](C)C ZINC000569383454 322652922 /nfs/dbraw/zinc/65/29/22/322652922.db2.gz XOQWYYDGWNGTEP-SECBINFHSA-N 1 0 326.328 0.530 20 5 ECBDRO CN(C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000571799409 322733806 /nfs/dbraw/zinc/73/38/06/322733806.db2.gz LRNOUGGPHSJEKC-UHFFFAOYSA-N 1 0 340.767 0.926 20 5 ECBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000572519188 322746160 /nfs/dbraw/zinc/74/61/60/322746160.db2.gz CSJZDNBJEIJQNP-UHFFFAOYSA-N 1 0 345.363 0.992 20 5 ECBDRO COc1cccc(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000573680657 322765917 /nfs/dbraw/zinc/76/59/17/322765917.db2.gz ASTQROGYKUJIRR-GFCCVEGCSA-N 1 0 334.376 0.723 20 5 ECBDRO CCC[N@@H+](CC(=O)NC)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181567340 527890251 /nfs/dbraw/zinc/89/02/51/527890251.db2.gz NSLJUXPELMQUSP-LBPRGKRZSA-N 1 0 325.365 0.793 20 5 ECBDRO COCCC[N@H+](C)CCNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000266178436 536500821 /nfs/dbraw/zinc/50/08/21/536500821.db2.gz WVPAVBMWWSBZNL-UHFFFAOYSA-N 1 0 327.385 0.574 20 5 ECBDRO Cn1cc(N2CC[C@@H]([NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2=O)cn1 ZINC000732228983 578321552 /nfs/dbraw/zinc/32/15/52/578321552.db2.gz RYQVFRZLPBPVAO-HUUCEWRRSA-N 1 0 345.359 0.757 20 5 ECBDRO Cn1ccnc1C(=O)c1ccc(NC[C@@H](O)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000732566896 578327581 /nfs/dbraw/zinc/32/75/81/578327581.db2.gz YCZSXLYOWNRAGN-GFCCVEGCSA-N 1 0 347.375 0.894 20 5 ECBDRO C[NH+](C)C[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736763553 578450577 /nfs/dbraw/zinc/45/05/77/578450577.db2.gz MHBFEHOCWAEELW-SNVBAGLBSA-N 1 0 332.368 0.948 20 5 ECBDRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000773530404 579228861 /nfs/dbraw/zinc/22/88/61/579228861.db2.gz LFBZWRBKYYBDQG-CQSZACIVSA-N 1 0 349.347 0.623 20 5 ECBDRO C[C@@H]([NH2+]CCS(=O)(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000746047885 579830722 /nfs/dbraw/zinc/83/07/22/579830722.db2.gz SEXYZEKRJJWWHR-GFCCVEGCSA-N 1 0 343.405 0.907 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896545515 586251126 /nfs/dbraw/zinc/25/11/26/586251126.db2.gz QOAUWOKTQQOOAC-BXUZGUMPSA-N 1 0 336.392 0.968 20 5 ECBDRO COc1cc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000896567067 586256772 /nfs/dbraw/zinc/25/67/72/586256772.db2.gz YVPURGRNZJBBEA-SMDDNHRTSA-N 1 0 336.392 0.968 20 5 ECBDRO CO[C@@]1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCS(=O)(=O)C1 ZINC000896681908 586266686 /nfs/dbraw/zinc/26/66/86/586266686.db2.gz HPLXZSKOHZDEEV-CQSZACIVSA-N 1 0 328.390 0.931 20 5 ECBDRO COc1cccc([C@@H](O)C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000843069653 589049318 /nfs/dbraw/zinc/04/93/18/589049318.db2.gz UDIYZAOSBXDPCF-ZFWWWQNUSA-N 1 0 336.348 0.484 20 5 ECBDRO Cn1cc([C@H](O)C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000843086340 589049988 /nfs/dbraw/zinc/04/99/88/589049988.db2.gz BKPVQQWQJOGDJN-GXTWGEPZSA-N 1 0 336.348 0.391 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](CCO)Cc2ccccc2)c1 ZINC000843113201 589051066 /nfs/dbraw/zinc/05/10/66/589051066.db2.gz MHWMILNLULIBDX-ZBFHGGJFSA-N 1 0 334.376 0.736 20 5 ECBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCO1 ZINC000843357392 589063867 /nfs/dbraw/zinc/06/38/67/589063867.db2.gz RVJVUVLKGOBNKV-NOZJJQNGSA-N 1 0 327.312 0.687 20 5 ECBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@]1(CO)COCCN1C ZINC000903281314 586774740 /nfs/dbraw/zinc/77/47/40/586774740.db2.gz XVVPCNNFCVCLNO-MLGOLLRUSA-N 1 0 341.383 0.948 20 5 ECBDRO O=C(CC[N@H+]1CCC[C@](O)(CO)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000839147827 586838197 /nfs/dbraw/zinc/83/81/97/586838197.db2.gz SBORZAHIKARPFK-OAHLLOKOSA-N 1 0 341.339 0.882 20 5 ECBDRO O=[N+]([O-])CC[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000905112402 586871275 /nfs/dbraw/zinc/87/12/75/586871275.db2.gz YXPKGFDRILPAQU-ZDUSSCGKSA-N 1 0 336.396 0.148 20 5 ECBDRO COC(=O)[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000839630836 586884938 /nfs/dbraw/zinc/88/49/38/586884938.db2.gz POOFWDJFLYKQKO-DZGCQCFKSA-N 1 0 337.376 0.665 20 5 ECBDRO O=C(N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839707594 586889614 /nfs/dbraw/zinc/88/96/14/586889614.db2.gz DCAHYTBSCAHHEE-XUWVNRHRSA-N 1 0 333.388 0.651 20 5 ECBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000808080120 587143390 /nfs/dbraw/zinc/14/33/90/587143390.db2.gz GTDSEQALNQUJGT-SNVBAGLBSA-N 1 0 340.355 0.893 20 5 ECBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000816952328 587330116 /nfs/dbraw/zinc/33/01/16/587330116.db2.gz IDCWGUTZZFDTMQ-JSGCOSHPSA-N 1 0 333.344 0.949 20 5 ECBDRO [NH3+]CCc1ccc(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000818536130 587437675 /nfs/dbraw/zinc/43/76/75/587437675.db2.gz XUWZAIKYQJPQQQ-UHFFFAOYSA-N 1 0 330.344 0.574 20 5 ECBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000818546367 587438272 /nfs/dbraw/zinc/43/82/72/587438272.db2.gz ULXNLDJNJBUSCC-ZDUSSCGKSA-N 1 0 334.376 0.865 20 5 ECBDRO CC(C)(C)NS(=O)(=O)CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818953029 587462263 /nfs/dbraw/zinc/46/22/63/587462263.db2.gz GRYACXQEEMRPCV-CYBMUJFWSA-N 1 0 345.421 0.936 20 5 ECBDRO CC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1 ZINC000819141081 587470116 /nfs/dbraw/zinc/47/01/16/587470116.db2.gz UXBJNMGFRLITKL-LSDHHAIUSA-N 1 0 337.376 0.855 20 5 ECBDRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819188852 587471875 /nfs/dbraw/zinc/47/18/75/587471875.db2.gz AVBSFOURDWPFMD-KGLIPLIRSA-N 1 0 343.405 0.642 20 5 ECBDRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819189078 587471917 /nfs/dbraw/zinc/47/19/17/587471917.db2.gz DMQWNHZNYYTGLV-ZIAGYGMSSA-N 1 0 343.405 0.642 20 5 ECBDRO C[Si](C)(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000819233907 587473571 /nfs/dbraw/zinc/47/35/71/587473571.db2.gz DHEQQJZLAVBRBE-CQSZACIVSA-N 1 0 334.452 0.897 20 5 ECBDRO C[NH+](C)C[C@@H]1CCCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821583379 587602391 /nfs/dbraw/zinc/60/23/91/587602391.db2.gz SYRQZLZZEZNUCP-JTQLQIEISA-N 1 0 332.368 0.948 20 5 ECBDRO COC1CC[NH+](CCNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000821679693 587619097 /nfs/dbraw/zinc/61/90/97/587619097.db2.gz IJGSHHDUIZRFHQ-UHFFFAOYSA-N 1 0 348.367 0.693 20 5 ECBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000826676894 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XYADGOXYLDBKPQ-HNNXBMFYSA-N 1 0 348.363 0.218 20 5 ECBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000429759076 210332316 /nfs/dbraw/zinc/33/23/16/210332316.db2.gz KHNTYYUDAREGCX-JHJVBQTASA-N 1 0 337.376 0.839 20 5 ECBDRO Cc1c(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000415742279 208572880 /nfs/dbraw/zinc/57/28/80/208572880.db2.gz JHSYUEJZBPABAK-NWDGAFQWSA-N 1 0 332.360 0.910 20 5 ECBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000416291699 208618173 /nfs/dbraw/zinc/61/81/73/208618173.db2.gz HXGGWVZAXOSGMX-STQMWFEESA-N 1 0 336.392 0.920 20 5 ECBDRO [NH3+]C1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000428769911 210281987 /nfs/dbraw/zinc/28/19/87/210281987.db2.gz RJTGJNOVCKFDMI-UHFFFAOYSA-N 1 0 335.364 0.344 20 5 ECBDRO C[NH2+]CCNC(=O)C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000419458320 209101364 /nfs/dbraw/zinc/10/13/64/209101364.db2.gz ZCCCSPFQIZNGCV-UHFFFAOYSA-N 1 0 337.380 0.157 20 5 ECBDRO C[C@H]1CN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH2+]1 ZINC000418921880 208908633 /nfs/dbraw/zinc/90/86/33/208908633.db2.gz KCRQYBWWRKHULE-RYUDHWBXSA-N 1 0 334.376 0.462 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418944257 208920709 /nfs/dbraw/zinc/92/07/09/208920709.db2.gz MCBTWZVLSCQHFE-NSHDSACASA-N 1 0 336.348 0.088 20 5 ECBDRO CC[NH2+]CCNC(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000419162527 209007608 /nfs/dbraw/zinc/00/76/08/209007608.db2.gz HFYGJNDJEZACNJ-UHFFFAOYSA-N 1 0 328.756 0.590 20 5 ECBDRO COc1ccc(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000119084970 286350319 /nfs/dbraw/zinc/35/03/19/286350319.db2.gz FWMJZOFJPCQGRL-ZJUUUORDSA-N 1 0 329.378 0.974 20 5 ECBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2C[NH2+]CCO2)c1C ZINC000420471603 292292104 /nfs/dbraw/zinc/29/21/04/292292104.db2.gz BAXMLHUORONNDS-NSHDSACASA-N 1 0 329.378 0.478 20 5 ECBDRO CO[C@@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H](C[NH3+])C1 ZINC000359048188 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COC(=O)Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000275061338 263544405 /nfs/dbraw/zinc/54/44/05/263544405.db2.gz WHCHNOIJTPHBOX-UHFFFAOYSA-N 1 0 346.365 0.613 20 5 ECBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]C2CCC(O)CC2)c1 ZINC000285974894 264357223 /nfs/dbraw/zinc/35/72/23/264357223.db2.gz HIFGSCZBSGQAGS-UHFFFAOYSA-N 1 0 343.405 0.766 20 5 ECBDRO COC(=O)[C@@H]1CSCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000412081415 277367150 /nfs/dbraw/zinc/36/71/50/277367150.db2.gz QZYPWGQFHJZWQC-NSHDSACASA-N 1 0 341.389 0.595 20 5 ECBDRO CC(C)(C)[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000330715308 437597260 /nfs/dbraw/zinc/59/72/60/437597260.db2.gz SNCFVPFQHBSALB-MCIONIFRSA-N 1 0 326.397 0.881 20 5 ECBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000186950361 288144889 /nfs/dbraw/zinc/14/48/89/288144889.db2.gz FGOZECXOCMCGEM-LLVKDONJSA-N 1 0 325.369 0.095 20 5 ECBDRO C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+]1CC(C)(C)O ZINC000189925854 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SFXUCNCMGZRRKC-HNNXBMFYSA-N 1 0 348.403 0.870 20 5 ECBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000366932525 300583028 /nfs/dbraw/zinc/58/30/28/300583028.db2.gz KPUNVYZWAQNRFW-RYUDHWBXSA-N 1 0 327.360 0.957 20 5 ECBDRO C[C@@H](O)COC(=O)CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000375636464 301193518 /nfs/dbraw/zinc/19/35/18/301193518.db2.gz UTVINGJQLQQZCL-LLVKDONJSA-N 1 0 326.353 0.742 20 5 ECBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000032270445 436235882 /nfs/dbraw/zinc/23/58/82/436235882.db2.gz DLJMGLWGHTVBDY-CYBMUJFWSA-N 1 0 325.369 0.264 20 5 ECBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)c1C ZINC000161503671 301429570 /nfs/dbraw/zinc/42/95/70/301429570.db2.gz KXYYIEPTIUFZMH-CQSZACIVSA-N 1 0 345.421 0.803 20 5 ECBDRO CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000081524366 436349529 /nfs/dbraw/zinc/34/95/29/436349529.db2.gz PLTKKCHAHJKJKI-NSHDSACASA-N 1 0 334.376 0.798 20 5 ECBDRO CN(CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)OC(C)(C)C ZINC000497312455 301586619 /nfs/dbraw/zinc/58/66/19/301586619.db2.gz IUFAPYQVBXARJH-LBPRGKRZSA-N 1 0 343.384 0.609 20 5 ECBDRO CS(=O)(=O)CCC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000517556860 301706647 /nfs/dbraw/zinc/70/66/47/301706647.db2.gz RAXQXRXHFCLXRP-LBPRGKRZSA-N 1 0 332.378 0.359 20 5 ECBDRO O=C(CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)N1CCOCC1 ZINC000047745797 436430290 /nfs/dbraw/zinc/43/02/90/436430290.db2.gz KSZOIPOEVDRHNZ-UHFFFAOYSA-N 1 0 348.403 0.966 20 5 ECBDRO CNC(=O)c1ccc(N2CCN(C(=O)C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000053557683 436535602 /nfs/dbraw/zinc/53/56/02/436535602.db2.gz HINKKFHWJJVGAV-UHFFFAOYSA-N 1 0 349.391 0.165 20 5 ECBDRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000237158122 436725140 /nfs/dbraw/zinc/72/51/40/436725140.db2.gz RDAXQKHEYRDCQB-NSHDSACASA-N 1 0 329.378 0.976 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(C[NH3+])CC1 ZINC000237190448 436726706 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C[N@@H+]1CC[C@@H]2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000368594791 438352677 /nfs/dbraw/zinc/35/26/77/438352677.db2.gz XLNWTCBSQZWYRE-DOMZBBRYSA-N 1 0 346.387 0.877 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000351882339 438353436 /nfs/dbraw/zinc/35/34/36/438353436.db2.gz FSNCBQKQZFOQHJ-UHFFFAOYSA-N 1 0 339.396 0.669 20 5 ECBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2C[NH2+]CCN2C)cc1C ZINC000394070384 438445167 /nfs/dbraw/zinc/44/51/67/438445167.db2.gz VDAOIWFBNRFIPZ-GFCCVEGCSA-N 1 0 342.421 0.394 20 5 ECBDRO CN1CCC([N@@H+]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)C2)CC1 ZINC000369251963 438442967 /nfs/dbraw/zinc/44/29/67/438442967.db2.gz DGAOZSLXZYJSMM-NSHDSACASA-N 1 0 349.391 0.594 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCC[C@@H]2Cn2ccnn2)c1 ZINC000369379698 438463258 /nfs/dbraw/zinc/46/32/58/438463258.db2.gz NYZSYUSGBOYTDM-OCCSQVGLSA-N 1 0 335.368 0.298 20 5 ECBDRO C[NH+]1CCC(O)(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000397550585 438452215 /nfs/dbraw/zinc/45/22/15/438452215.db2.gz SZONBWNAYKKZRW-UHFFFAOYSA-N 1 0 347.368 0.469 20 5 ECBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000408450580 438575230 /nfs/dbraw/zinc/57/52/30/438575230.db2.gz FVUXJGAIEZQQIJ-WCQYABFASA-N 1 0 334.380 0.662 20 5 ECBDRO CC(C)(C(=O)N[C@@H]1CCC[N@H+](CCCO)C1)n1cc([N+](=O)[O-])cn1 ZINC000452796513 438673886 /nfs/dbraw/zinc/67/38/86/438673886.db2.gz NJCUPWLFSLNLQX-GFCCVEGCSA-N 1 0 339.396 0.489 20 5 ECBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CNCCN1C ZINC000423478934 438680836 /nfs/dbraw/zinc/68/08/36/438680836.db2.gz NILXWWPYPFSNHE-DOMZBBRYSA-N 1 0 335.408 0.805 20 5 ECBDRO COC(=O)C(C)(C)N1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000494429178 438692249 /nfs/dbraw/zinc/69/22/49/438692249.db2.gz JNSTVNBTUYHCHX-UHFFFAOYSA-N 1 0 325.369 0.361 20 5 ECBDRO COC(=O)[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CC[N@H+](C)C1 ZINC000413494735 438694655 /nfs/dbraw/zinc/69/46/55/438694655.db2.gz ICBJZHDQVGISFC-SNVBAGLBSA-N 1 0 334.336 0.179 20 5 ECBDRO CNc1nc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000455861424 438753483 /nfs/dbraw/zinc/75/34/83/438753483.db2.gz BTHSVQVSEGWORD-GFCCVEGCSA-N 1 0 349.391 0.826 20 5 ECBDRO [NH3+]C1(CNC(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000576254853 438775077 /nfs/dbraw/zinc/77/50/77/438775077.db2.gz NXCDGADTDFSAJJ-UHFFFAOYSA-N 1 0 336.348 0.087 20 5 ECBDRO CCc1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000576399205 438781272 /nfs/dbraw/zinc/78/12/72/438781272.db2.gz JGCCURBFZKOJRF-NSHDSACASA-N 1 0 329.378 0.424 20 5 ECBDRO COc1ccc(C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000556899979 438792586 /nfs/dbraw/zinc/79/25/86/438792586.db2.gz COHNWQXGWSULPJ-SNVBAGLBSA-N 1 0 338.364 0.400 20 5 ECBDRO C[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC[N@@H+]1CC(C)(C)O ZINC000588027256 438813801 /nfs/dbraw/zinc/81/38/01/438813801.db2.gz YMOJFFNHASNYSA-NSHDSACASA-N 1 0 338.408 0.951 20 5 ECBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H]1CCCN(Cc2ncon2)C1 ZINC000588843271 438844671 /nfs/dbraw/zinc/84/46/71/438844671.db2.gz SCTLKKQSXNAQPV-NSHDSACASA-N 1 0 349.351 0.203 20 5 ECBDRO COc1ccc(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000588864038 438845376 /nfs/dbraw/zinc/84/53/76/438845376.db2.gz XFXAOVGRYUAZIL-STQMWFEESA-N 1 0 335.360 0.885 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000588863009 438846071 /nfs/dbraw/zinc/84/60/71/438846071.db2.gz NUMSCPMEDZWRNJ-OLZOCXBDSA-N 1 0 337.380 0.157 20 5 ECBDRO O=C1CC[C@@H]2C[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@H]2N1 ZINC000595742152 438853577 /nfs/dbraw/zinc/85/35/77/438853577.db2.gz OOLJOAUTZFFYLH-XNRPHZJLSA-N 1 0 349.387 0.935 20 5 ECBDRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595948463 438896540 /nfs/dbraw/zinc/89/65/40/438896540.db2.gz KVNVJPMBEPLGIX-WXHSDQCUSA-N 1 0 335.364 0.366 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000564995518 438901610 /nfs/dbraw/zinc/90/16/10/438901610.db2.gz LVIYSZALZSOZRH-STQMWFEESA-N 1 0 334.376 0.605 20 5 ECBDRO NC(=O)c1ccnc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000589583213 438877971 /nfs/dbraw/zinc/87/79/71/438877971.db2.gz SUDGVOZPWPHEOY-LLVKDONJSA-N 1 0 335.364 0.754 20 5 ECBDRO Cc1c(NC(=O)CCNC2(CO)CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000595901639 438881824 /nfs/dbraw/zinc/88/18/24/438881824.db2.gz GJKBHSFGPDFQGL-UHFFFAOYSA-N 1 0 336.392 0.936 20 5 ECBDRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000595944118 438892322 /nfs/dbraw/zinc/89/23/22/438892322.db2.gz VEXJCPMSOSEZEA-CABCVRRESA-N 1 0 334.376 0.607 20 5 ECBDRO CN(C)C(=O)CCC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000516761517 438923026 /nfs/dbraw/zinc/92/30/26/438923026.db2.gz HUVZPLXKXKSUPI-UHFFFAOYSA-N 1 0 343.405 0.827 20 5 ECBDRO NC(=O)c1cc(N2CC[C@H](C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000596139543 438931420 /nfs/dbraw/zinc/93/14/20/438931420.db2.gz CELPECLWGQPKQX-GFCCVEGCSA-N 1 0 334.376 0.852 20 5 ECBDRO CS(=O)(=O)C1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000578642534 438942391 /nfs/dbraw/zinc/94/23/91/438942391.db2.gz PDHHEOWFGBVRBY-GFCCVEGCSA-N 1 0 346.409 0.099 20 5 ECBDRO C[NH+](C)[C@H]1C[C@@H](CNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000596298602 438953293 /nfs/dbraw/zinc/95/32/93/438953293.db2.gz JILJXMSEWZUWPM-JGZJWPJOSA-N 1 0 328.394 0.994 20 5 ECBDRO NC(=O)c1cc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000596538418 438974169 /nfs/dbraw/zinc/97/41/69/438974169.db2.gz KOTUPBKZKFZNST-CYBMUJFWSA-N 1 0 334.376 0.729 20 5 ECBDRO C[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000591304683 439000797 /nfs/dbraw/zinc/00/07/97/439000797.db2.gz CRTXGFBEQCJYIC-ZCFIWIBFSA-N 1 0 345.153 0.759 20 5 ECBDRO COc1cc(CCNC(=O)NC[C@H](C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000591338326 439006056 /nfs/dbraw/zinc/00/60/56/439006056.db2.gz AABKVTJPNXJNRT-VIFPVBQESA-N 1 0 326.353 0.801 20 5 ECBDRO C[C@H]([NH3+])CNC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000591361350 439009290 /nfs/dbraw/zinc/00/92/90/439009290.db2.gz WJFGTJRBHLNELI-NSHDSACASA-N 1 0 335.364 0.409 20 5 ECBDRO C[NH+]1CCN(CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000518762019 439009414 /nfs/dbraw/zinc/00/94/14/439009414.db2.gz LBHMYXZPDZZSBT-UHFFFAOYSA-N 1 0 336.348 0.301 20 5 ECBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000591362096 439009509 /nfs/dbraw/zinc/00/95/09/439009509.db2.gz HYBGWMGSKSQNKW-CHWSQXEVSA-N 1 0 348.407 0.949 20 5 ECBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000518772319 439009629 /nfs/dbraw/zinc/00/96/29/439009629.db2.gz KIMOCXDMZQEFRM-NSHDSACASA-N 1 0 348.359 0.443 20 5 ECBDRO Cn1cc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c([N+](=O)[O-])n1 ZINC000602434562 439086709 /nfs/dbraw/zinc/08/67/09/439086709.db2.gz GMSLLRLZTGLQOU-GFCCVEGCSA-N 1 0 337.380 0.399 20 5 ECBDRO O=C(NC[C@H]1COCC[NH2+]1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000602558617 439111939 /nfs/dbraw/zinc/11/19/39/439111939.db2.gz SWWUSMOWMPCURA-ZDUSSCGKSA-N 1 0 334.376 0.913 20 5 ECBDRO O=C1NCCC[C@@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591735067 439077964 /nfs/dbraw/zinc/07/79/64/439077964.db2.gz NWHNJIGNMUYHHM-LLVKDONJSA-N 1 0 341.389 0.484 20 5 ECBDRO CCc1cccc(NC(=O)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000591728898 439078973 /nfs/dbraw/zinc/07/89/73/439078973.db2.gz VQRHMAGYYRJKGK-OAHLLOKOSA-N 1 0 347.375 0.943 20 5 ECBDRO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000592184182 439174199 /nfs/dbraw/zinc/17/41/99/439174199.db2.gz HQEUNMYIBFCXGL-NSHDSACASA-N 1 0 335.286 0.792 20 5 ECBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000597624736 439141435 /nfs/dbraw/zinc/14/14/35/439141435.db2.gz KKOYSNLBNVDNTF-AWEZNQCLSA-N 1 0 348.403 0.870 20 5 ECBDRO CO[C@@H]1C[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1OC ZINC000488032467 439173835 /nfs/dbraw/zinc/17/38/35/439173835.db2.gz GZSBEYPPLSUDRA-NWANDNLSSA-N 1 0 326.349 0.680 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CNC[C@H](O)C[NH+]2CCCC2)c1 ZINC000592430260 439226547 /nfs/dbraw/zinc/22/65/47/439226547.db2.gz RNENHQVSTGHSHT-GJZGRUSLSA-N 1 0 339.392 0.381 20 5 ECBDRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000597874857 439196895 /nfs/dbraw/zinc/19/68/95/439196895.db2.gz RNXDNNAOOXPTFZ-UHFFFAOYSA-N 1 0 337.380 0.939 20 5 ECBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](O)Cc1ccccc1 ZINC000592431693 439227376 /nfs/dbraw/zinc/22/73/76/439227376.db2.gz ZVSRKKTULHYSPD-RCBQFDQVSA-N 1 0 334.376 0.734 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000592376461 439214590 /nfs/dbraw/zinc/21/45/90/439214590.db2.gz QQORTSDDJVUYEL-AWEZNQCLSA-N 1 0 341.389 0.978 20 5 ECBDRO CC[C@@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000598535504 439275496 /nfs/dbraw/zinc/27/54/96/439275496.db2.gz DTEKVRRFTCQGOQ-WCQYABFASA-N 1 0 334.376 0.924 20 5 ECBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000598542613 439278099 /nfs/dbraw/zinc/27/80/99/439278099.db2.gz YVQACXIVEFGHKN-CYBMUJFWSA-N 1 0 325.369 0.361 20 5 ECBDRO Cc1c(C(=O)N[C@@H](C)[C@@H](C)[NH3+])cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000592556895 439254049 /nfs/dbraw/zinc/25/40/49/439254049.db2.gz MROPXHHECAWQBC-SFYZADRCSA-N 1 0 330.366 0.016 20 5 ECBDRO Cc1ccccc1C[C@H](CO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000581943700 439269731 /nfs/dbraw/zinc/26/97/31/439269731.db2.gz SPPYJDCRZQSDTI-GDBMZVCRSA-N 1 0 334.376 0.654 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000604529844 439318766 /nfs/dbraw/zinc/31/87/66/439318766.db2.gz RRNLJCHPZIDKJC-UHFFFAOYSA-N 1 0 343.343 0.500 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC[C@@H](O)C[NH+]1CCCC1 ZINC000582063255 439285836 /nfs/dbraw/zinc/28/58/36/439285836.db2.gz VRXCMNVLPDRDKM-KGLIPLIRSA-N 1 0 339.392 0.381 20 5 ECBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000592870045 439294084 /nfs/dbraw/zinc/29/40/84/439294084.db2.gz CDHAPCKGVFYSCZ-JTQLQIEISA-N 1 0 335.364 0.369 20 5 ECBDRO CS[C@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000582131291 439296844 /nfs/dbraw/zinc/29/68/44/439296844.db2.gz DALRLLAITWBPGB-UWVGGRQHSA-N 1 0 325.394 0.690 20 5 ECBDRO C[C@@H]1[NH2+]CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000598666201 439299544 /nfs/dbraw/zinc/29/95/44/439299544.db2.gz VSVWQWACHPIJNK-QWRGUYRKSA-N 1 0 335.364 0.925 20 5 ECBDRO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NCCC[NH2+]C1CC1 ZINC000598668899 439300108 /nfs/dbraw/zinc/30/01/08/439300108.db2.gz RXAKNKUXUVPFEP-UHFFFAOYSA-N 1 0 335.364 0.975 20 5 ECBDRO Cc1ccc(S(=O)(=O)NCCN2CC[NH2+]CC2)c(C)c1[N+](=O)[O-] ZINC000598716277 439307580 /nfs/dbraw/zinc/30/75/80/439307580.db2.gz GXGPZOOLLRKETH-UHFFFAOYSA-N 1 0 342.421 0.395 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000599098897 439355279 /nfs/dbraw/zinc/35/52/79/439355279.db2.gz AFUYFXUPOZZJHE-LPEHRKFASA-N 1 0 329.382 0.076 20 5 ECBDRO Cc1cccc(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c1[N+](=O)[O-] ZINC000593234733 439356087 /nfs/dbraw/zinc/35/60/87/439356087.db2.gz IHEPKWIIVUACEL-UHFFFAOYSA-N 1 0 334.376 0.749 20 5 ECBDRO C[C@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCC[NH+](C)C ZINC000582735956 439374333 /nfs/dbraw/zinc/37/43/33/439374333.db2.gz PIJFAOKHLFEVPP-RYUDHWBXSA-N 1 0 336.392 0.881 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000593525541 439393779 /nfs/dbraw/zinc/39/37/79/439393779.db2.gz GQRAREKPLJUDML-UHFFFAOYSA-N 1 0 349.372 0.896 20 5 ECBDRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599237071 439395368 /nfs/dbraw/zinc/39/53/68/439395368.db2.gz KNTOCDOWVWOGSZ-SNVBAGLBSA-N 1 0 331.398 0.291 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)nc1 ZINC000593531233 439395800 /nfs/dbraw/zinc/39/58/00/439395800.db2.gz PKVMKJMACIHDLM-VXGBXAGGSA-N 1 0 326.378 0.895 20 5 ECBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000599244986 439396680 /nfs/dbraw/zinc/39/66/80/439396680.db2.gz OUXZDVAZBRIHNS-WDEREUQCSA-N 1 0 345.425 0.679 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(C)c3cc[nH+]cc32)n1 ZINC000599256125 439401322 /nfs/dbraw/zinc/40/13/22/439401322.db2.gz SXXPPMTVFYNCPN-UHFFFAOYSA-N 1 0 338.349 0.368 20 5 ECBDRO C[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000599256004 439401475 /nfs/dbraw/zinc/40/14/75/439401475.db2.gz PEBURWCKASKFFK-SECBINFHSA-N 1 0 333.414 0.583 20 5 ECBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593550998 439402050 /nfs/dbraw/zinc/40/20/50/439402050.db2.gz PPEHDDXPUVNZTM-CMPLNLGQSA-N 1 0 328.394 0.951 20 5 ECBDRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599274152 439410891 /nfs/dbraw/zinc/41/08/91/439410891.db2.gz MMXDDYUYSCNICO-SNVBAGLBSA-N 1 0 345.425 0.679 20 5 ECBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599305668 439426687 /nfs/dbraw/zinc/42/66/87/439426687.db2.gz AXBUPZNFIPNTAO-MNOVXSKESA-N 1 0 343.409 0.576 20 5 ECBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599314248 439428740 /nfs/dbraw/zinc/42/87/40/439428740.db2.gz FZXFHUNALQOSSV-GHMZBOCLSA-N 1 0 343.409 0.576 20 5 ECBDRO COc1ccc(OCC[N@@H+]2CC[C@H](CO)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000583227772 439437296 /nfs/dbraw/zinc/43/72/96/439437296.db2.gz ZNNKILRZIPLLHV-BXUZGUMPSA-N 1 0 326.349 0.657 20 5 ECBDRO CN(Cc1ccccc1)C(=O)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000583258404 439440874 /nfs/dbraw/zinc/44/08/74/439440874.db2.gz TVTZZULZEDKXDL-HNNXBMFYSA-N 1 0 347.375 0.400 20 5 ECBDRO COC(=O)COc1ccc(C[NH2+][C@H]2C[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000593670145 439442386 /nfs/dbraw/zinc/44/23/86/439442386.db2.gz NAHHBGZVDVIJID-PHIMTYICSA-N 1 0 337.332 0.500 20 5 ECBDRO CS[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C[C@H]1[NH+](C)C ZINC000593571891 439408578 /nfs/dbraw/zinc/40/85/78/439408578.db2.gz WNPUXADFYDEUKR-GHMZBOCLSA-N 1 0 346.434 0.656 20 5 ECBDRO CCc1nncn1CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000583495272 439472085 /nfs/dbraw/zinc/47/20/85/439472085.db2.gz XMUXJTMANGBRQN-GFCCVEGCSA-N 1 0 335.364 0.778 20 5 ECBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000608799915 439545701 /nfs/dbraw/zinc/54/57/01/439545701.db2.gz QRWAQSNCZZNJBG-NSHDSACASA-N 1 0 336.348 0.742 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2cn3ccccc3n2)c1 ZINC000572148836 439561476 /nfs/dbraw/zinc/56/14/76/439561476.db2.gz DYMHBLZXDBTLJR-AWEZNQCLSA-N 1 0 330.348 0.632 20 5 ECBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000584230812 439566648 /nfs/dbraw/zinc/56/66/48/439566648.db2.gz ZOZLMRFDIGWAIJ-UHFFFAOYSA-N 1 0 332.324 0.078 20 5 ECBDRO C[C@@H]1CC[C@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[NH2+]1 ZINC000599940466 439581971 /nfs/dbraw/zinc/58/19/71/439581971.db2.gz QYXPNDIYFMTCSZ-OLZOCXBDSA-N 1 0 348.407 0.962 20 5 ECBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000609665536 439582599 /nfs/dbraw/zinc/58/25/99/439582599.db2.gz UEJAJJQOJQGARX-ZDUSSCGKSA-N 1 0 335.408 0.785 20 5 ECBDRO CCOC[C@H](O)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000584406536 439584720 /nfs/dbraw/zinc/58/47/20/439584720.db2.gz OUZGLGYUEKCFKL-GFCCVEGCSA-N 1 0 332.378 0.356 20 5 ECBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000610262212 439606909 /nfs/dbraw/zinc/60/69/09/439606909.db2.gz PPBUORKWKPRFSD-GHMZBOCLSA-N 1 0 326.378 0.895 20 5 ECBDRO CN(CC(=O)N1CCN(C)CC1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000610711943 439640896 /nfs/dbraw/zinc/64/08/96/439640896.db2.gz PWDYFTZNSKKHEW-UHFFFAOYSA-N 1 0 326.378 0.502 20 5 ECBDRO COc1ccc(NC(=O)C(=O)NCC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000595125856 439657664 /nfs/dbraw/zinc/65/76/64/439657664.db2.gz RCJUUQAULBBXJC-JTQLQIEISA-N 1 0 338.364 0.998 20 5 ECBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000573754613 439664038 /nfs/dbraw/zinc/66/40/38/439664038.db2.gz IGHAWFMDQHUPPK-SWLSCSKDSA-N 1 0 337.376 0.907 20 5 ECBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCC[N@H+]1CC[C@H](O)C1 ZINC000600808449 439703704 /nfs/dbraw/zinc/70/37/04/439703704.db2.gz OUQRXMWZMRSAAY-JTQLQIEISA-N 1 0 329.303 0.598 20 5 ECBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000600528212 439674482 /nfs/dbraw/zinc/67/44/82/439674482.db2.gz QCPDPPMFGSKZIZ-OAHLLOKOSA-N 1 0 336.392 0.970 20 5 ECBDRO Cc1c(NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000595230196 439676357 /nfs/dbraw/zinc/67/63/57/439676357.db2.gz MFXBWNSUNBVIEY-QWRGUYRKSA-N 1 0 333.348 0.679 20 5 ECBDRO O=[N+]([O-])c1cnc2ccc(N3CCN(C[C@H]4CCCO4)CC3)nn21 ZINC000611239223 439684412 /nfs/dbraw/zinc/68/44/12/439684412.db2.gz LKZFGEMPZFLCSS-GFCCVEGCSA-N 1 0 332.364 0.939 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H](n2cccn2)C(F)(F)F)c1 ZINC000600744504 439697221 /nfs/dbraw/zinc/69/72/21/439697221.db2.gz GOXYZPQOONBLHA-QWRGUYRKSA-N 1 0 348.285 0.742 20 5 ECBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000574308186 439698068 /nfs/dbraw/zinc/69/80/68/439698068.db2.gz GLMLIWRKECMTAE-ZDUSSCGKSA-N 1 0 334.376 0.877 20 5 ECBDRO COC(=O)CC[C@H]([NH3+])C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000288563088 320654985 /nfs/dbraw/zinc/65/49/85/320654985.db2.gz GVSRFOWPEMCEOK-JTQLQIEISA-N 1 0 325.321 0.500 20 5 ECBDRO CNS(=O)(=O)CCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331113628 320888421 /nfs/dbraw/zinc/88/84/21/320888421.db2.gz CTJGONALLLXTSA-UHFFFAOYSA-N 1 0 331.398 0.368 20 5 ECBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](OCC[NH+](C)C)C2)n1 ZINC000342641539 321097186 /nfs/dbraw/zinc/09/71/86/321097186.db2.gz WUROJWXMQLGELN-NSHDSACASA-N 1 0 338.364 0.933 20 5 ECBDRO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[NH2+]C1 ZINC000342708794 321100129 /nfs/dbraw/zinc/10/01/29/321100129.db2.gz JKEVAPLGYZINLV-GFCCVEGCSA-N 1 0 335.364 0.120 20 5 ECBDRO CS(=O)(=O)c1cc(C(=O)NC[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000342714732 321100574 /nfs/dbraw/zinc/10/05/74/321100574.db2.gz PDUUNUUILBQYPE-SECBINFHSA-N 1 0 327.362 0.338 20 5 ECBDRO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1 ZINC000353927150 321426400 /nfs/dbraw/zinc/42/64/00/321426400.db2.gz UJAYYEZLEKNVKM-LLVKDONJSA-N 1 0 349.347 0.872 20 5 ECBDRO COC[C@H](C)OC[C@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373242232 321802848 /nfs/dbraw/zinc/80/28/48/321802848.db2.gz LMYOSTGYCZHBCG-GXTWGEPZSA-N 1 0 342.396 0.841 20 5 ECBDRO C[C@@H](CN1CCCC1=O)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000555338749 322179249 /nfs/dbraw/zinc/17/92/49/322179249.db2.gz MUBWIAFVVFGICU-JSGCOSHPSA-N 1 0 337.376 0.935 20 5 ECBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000562824418 322286349 /nfs/dbraw/zinc/28/63/49/322286349.db2.gz DWJWKYHAIXPQRK-BXUZGUMPSA-N 1 0 334.376 0.939 20 5 ECBDRO CN1CCCC(C)(C)[C@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000564076390 322360184 /nfs/dbraw/zinc/36/01/84/322360184.db2.gz LXVFXJCREORDOT-ZIAGYGMSSA-N 1 0 325.413 0.862 20 5 ECBDRO CO[C@@H](CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(F)(F)F ZINC000565299162 322448615 /nfs/dbraw/zinc/44/86/15/322448615.db2.gz FPXKCLQMSOMFQZ-ZJUUUORDSA-N 1 0 326.275 0.709 20 5 ECBDRO C[C@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000567605259 322589157 /nfs/dbraw/zinc/58/91/57/322589157.db2.gz KUHNCCNRNQSONB-PWSUYJOCSA-N 1 0 332.378 0.357 20 5 ECBDRO [NH3+][C@@H]1C[C@H]2CN(c3ccc4ncccc4c3[N+](=O)[O-])CCN2C1=O ZINC000569355531 322651717 /nfs/dbraw/zinc/65/17/17/322651717.db2.gz PWSUAILHMQBVGR-CMPLNLGQSA-N 1 0 327.344 0.891 20 5 ECBDRO CSc1ccc(C(=O)NCC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000569712068 322662730 /nfs/dbraw/zinc/66/27/30/322662730.db2.gz BOJQZWGIIDOOOB-UHFFFAOYSA-N 1 0 338.389 0.478 20 5 ECBDRO [NH3+][C@H]1C[C@H]2CN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CCN2C1=O ZINC000571344930 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NUOCNSAQYUENPZ-QWHCGFSZSA-N 1 0 348.407 0.962 20 5 ECBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])CCN2C1=O ZINC000578453651 322864912 /nfs/dbraw/zinc/86/49/12/322864912.db2.gz AQMJHEQIZNHCAG-PSASIEDQSA-N 1 0 338.751 0.632 20 5 ECBDRO [NH3+]CCCCn1cc(C(=O)NCCc2ccccc2[N+](=O)[O-])nn1 ZINC000578527572 322866843 /nfs/dbraw/zinc/86/68/43/322866843.db2.gz KOXCNDYTNMQRMZ-UHFFFAOYSA-N 1 0 332.364 0.898 20 5 ECBDRO O=C(NCCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000579110745 322886362 /nfs/dbraw/zinc/88/63/62/322886362.db2.gz ICEYYLHMEZVKRP-HNNXBMFYSA-N 1 0 347.375 0.562 20 5 ECBDRO Cc1n[nH]c(C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000619871472 546376674 /nfs/dbraw/zinc/37/66/74/546376674.db2.gz JVLNWDGNGWNJQV-LBPRGKRZSA-N 1 0 337.380 0.953 20 5 ECBDRO CC(C)(CO)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000735671290 578392373 /nfs/dbraw/zinc/39/23/73/578392373.db2.gz RLFWJXJGDMEWSU-UHFFFAOYSA-N 1 0 347.379 0.668 20 5 ECBDRO CC(C)(O)C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000735680798 578392627 /nfs/dbraw/zinc/39/26/27/578392627.db2.gz YXERNBDJMYXXSA-UHFFFAOYSA-N 1 0 348.367 0.063 20 5 ECBDRO C[NH+](C)CC(=O)N1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776580371 579284656 /nfs/dbraw/zinc/28/46/56/579284656.db2.gz XKHLPLDFADZGOH-HNNXBMFYSA-N 1 0 336.392 0.334 20 5 ECBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC(=O)NC ZINC000764201247 579572814 /nfs/dbraw/zinc/57/28/14/579572814.db2.gz IHAZTFQGJJNESQ-UHFFFAOYSA-N 1 0 338.364 1.000 20 5 ECBDRO O=[N+]([O-])c1cnc(N2CC[C@H]([NH+]3CCCC3)C2)c(-c2nn[nH]n2)c1 ZINC000738370659 579624672 /nfs/dbraw/zinc/62/46/72/579624672.db2.gz XMKZFZJVUZJCNF-JTQLQIEISA-N 1 0 330.352 0.844 20 5 ECBDRO CN1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC[N@H+](C)CC1 ZINC000888998739 586062155 /nfs/dbraw/zinc/06/21/55/586062155.db2.gz HAXHXYXHVAVZGB-UHFFFAOYSA-N 1 0 336.392 0.679 20 5 ECBDRO CCC[C@H]1CN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC[NH2+]1 ZINC000895059075 586159039 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AZKLGAVXKUVRKW-AWEZNQCLSA-N 1 0 347.419 0.537 20 5 ECBDRO COCC[C@@H]1C[NH2+]CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000903840956 586820002 /nfs/dbraw/zinc/82/00/02/586820002.db2.gz VCTZAMHQMNUIPB-ZIAGYGMSSA-N 1 0 339.392 0.645 20 5 ECBDRO COc1cc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1OCC[NH+](C)C ZINC000839592562 586881479 /nfs/dbraw/zinc/88/14/79/586881479.db2.gz UBZGDYUZEHYXMA-CHWSQXEVSA-N 1 0 337.376 0.917 20 5 ECBDRO COC(=O)[C@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000839630838 586884955 /nfs/dbraw/zinc/88/49/55/586884955.db2.gz POOFWDJFLYKQKO-UKRRQHHQSA-N 1 0 337.376 0.665 20 5 ECBDRO Nc1nc(N2CCC[C@H](OC(=O)Cn3cc([N+](=O)[O-])cn3)C2)cc[nH+]1 ZINC000810767947 587203150 /nfs/dbraw/zinc/20/31/50/587203150.db2.gz AWLTZAMWWHHURU-NSHDSACASA-N 1 0 347.335 0.376 20 5 ECBDRO Cc1c(C(=O)NC[C@H]2C[NH2+]CCO2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000818012132 587396957 /nfs/dbraw/zinc/39/69/57/587396957.db2.gz SAVULSOYTWVERF-SNVBAGLBSA-N 1 0 338.320 0.838 20 5 ECBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000818541676 587437953 /nfs/dbraw/zinc/43/79/53/587437953.db2.gz JOFCBBNHSMZTKJ-LBPRGKRZSA-N 1 0 334.376 0.913 20 5 ECBDRO CN1CCN(C(=O)CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819059169 587466562 /nfs/dbraw/zinc/46/65/62/587466562.db2.gz BLSNFDNRGNHQQO-HNNXBMFYSA-N 1 0 336.392 0.382 20 5 ECBDRO O=C1NC(=O)C2(CCC([NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)N1 ZINC000819310387 587476027 /nfs/dbraw/zinc/47/60/27/587476027.db2.gz WRNXVLSLROPYTA-ULKWEWGCSA-N 1 0 348.359 0.739 20 5 ECBDRO C[NH+](C)C1CC(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000819681119 587485312 /nfs/dbraw/zinc/48/53/12/587485312.db2.gz SYXMUDOKPNINKU-UHFFFAOYSA-N 1 0 330.348 0.998 20 5 ECBDRO CC(C)(O)C[NH+]1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000819991976 587501354 /nfs/dbraw/zinc/50/13/54/587501354.db2.gz NQNJPYDIJMESQB-UHFFFAOYSA-N 1 0 348.367 0.063 20 5 ECBDRO C[NH+](C)CCN1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000823970480 587846392 /nfs/dbraw/zinc/84/63/92/587846392.db2.gz DBVDWRDBGJZZHS-OAHLLOKOSA-N 1 0 336.392 0.334 20 5 ECBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000824707787 587889549 /nfs/dbraw/zinc/88/95/49/587889549.db2.gz VZTGPAZXNGNZCM-MNOVXSKESA-N 1 0 347.379 0.666 20 5 ECBDRO CN(C)CC[N@H+](C)CCCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832823703 588507310 /nfs/dbraw/zinc/50/73/10/588507310.db2.gz VKAIMOSIIHWRDS-OAHLLOKOSA-N 1 0 338.408 0.628 20 5 ECBDRO NC(=O)[C@]1([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCOC1 ZINC000847053246 589233869 /nfs/dbraw/zinc/23/38/69/589233869.db2.gz JHCDBYLYBPOXOZ-AWEZNQCLSA-N 1 0 340.311 0.297 20 5 ECBDRO CNc1nccc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000847406507 589245917 /nfs/dbraw/zinc/24/59/17/589245917.db2.gz CQSIKZBCGPCLMZ-GHMZBOCLSA-N 1 0 335.364 0.625 20 5 ECBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000848025298 589273804 /nfs/dbraw/zinc/27/38/04/589273804.db2.gz QHYQWDFPQPLYCQ-ZFWWWQNUSA-N 1 0 339.392 0.837 20 5 ECBDRO C[NH+](C)C[C@](C)(O)CNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848585541 589300898 /nfs/dbraw/zinc/30/08/98/589300898.db2.gz MQPCEZNHFIXLJL-CYBMUJFWSA-N 1 0 347.318 0.995 20 5 ECBDRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000852802043 589512686 /nfs/dbraw/zinc/51/26/86/589512686.db2.gz BGIRMWHLHYQMSL-LSDHHAIUSA-N 1 0 334.376 0.607 20 5 ECBDRO Cc1c(C(=O)N[C@@H](CO)C[NH+](C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000854466779 589588106 /nfs/dbraw/zinc/58/81/06/589588106.db2.gz KKVVCYQMGCKPQK-SNVBAGLBSA-N 1 0 340.336 0.772 20 5 ECBDRO Cc1cc(S(=O)(=O)N(C)CCOCC[NH3+])cc([N+](=O)[O-])c1F ZINC000858633708 589762464 /nfs/dbraw/zinc/76/24/64/589762464.db2.gz ASKFCWSQXFWFPW-UHFFFAOYSA-N 1 0 335.357 0.638 20 5 ECBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000868343993 589894299 /nfs/dbraw/zinc/89/42/99/589894299.db2.gz MRCBWAWTHIPRRJ-QWHCGFSZSA-N 1 0 337.351 0.944 20 5 ECBDRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000869764173 589977596 /nfs/dbraw/zinc/97/75/96/589977596.db2.gz NHIYYHFFODRTPO-UHFFFAOYSA-N 1 0 339.396 0.759 20 5 ECBDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000863749126 590033750 /nfs/dbraw/zinc/03/37/50/590033750.db2.gz LRIMFQLUOZKVDL-LBPRGKRZSA-N 1 0 349.391 0.049 20 5 ECBDRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119730995 590047921 /nfs/dbraw/zinc/04/79/21/590047921.db2.gz UXURTZBCXKPIGH-SNVBAGLBSA-N 1 0 348.450 0.571 20 5 ECBDRO C[C@@]1(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[NH2+]CCO1 ZINC000876551140 590386464 /nfs/dbraw/zinc/38/64/64/590386464.db2.gz LTFMHOPGGDZLRT-INIZCTEOSA-N 1 0 334.376 0.622 20 5 ECBDRO O=C([C@@H](F)[C@@H]1CC[NH2+]C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000876588722 590389419 /nfs/dbraw/zinc/38/94/19/590389419.db2.gz YOSUBENUQDYBDJ-RISCZKNCSA-N 1 0 337.355 0.586 20 5 ECBDRO O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000876588720 590389448 /nfs/dbraw/zinc/38/94/48/590389448.db2.gz YOSUBENUQDYBDJ-BXUZGUMPSA-N 1 0 337.355 0.586 20 5 ECBDRO C[N@@H+]1C[C@@H](O)C[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000924984877 608686757 /nfs/dbraw/zinc/68/67/57/608686757.db2.gz YMHGOWPHNDCURN-RYUDHWBXSA-N 1 0 327.768 0.972 20 5 ECBDRO C[NH+](C)CC(=O)N1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000068063514 609878636 /nfs/dbraw/zinc/87/86/36/609878636.db2.gz XKOPWBOXKZWXMJ-UHFFFAOYSA-N 1 0 335.364 0.023 20 5 ECBDRO C[NH+]1C[C@]2(C)CN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)C[C@@]2(C)C1 ZINC000918368052 610004605 /nfs/dbraw/zinc/00/46/05/610004605.db2.gz CPJWQFRKQWRLSM-ZIAGYGMSSA-N 1 0 340.405 0.952 20 5 ECBDRO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912925606 610023661 /nfs/dbraw/zinc/02/36/61/610023661.db2.gz NQDOZUPEMGCCIY-AWEZNQCLSA-N 1 0 332.360 0.631 20 5 ECBDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ccc([N+](=O)[O-])c(N)n2)C1 ZINC001164728726 720518230 /nfs/dbraw/zinc/51/82/30/720518230.db2.gz KUPFKIILTLCDIQ-LLVKDONJSA-N 1 0 331.380 0.967 20 5 ECBDRO COc1nc(N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)ncc1[N+](=O)[O-] ZINC001164919854 721847226 /nfs/dbraw/zinc/84/72/26/721847226.db2.gz DJSRLMLEMGZCOQ-VXGBXAGGSA-N 1 0 336.396 0.608 20 5 ECBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001167187739 733040572 /nfs/dbraw/zinc/04/05/72/733040572.db2.gz IEHAKQUAJLKIBQ-HWYHXSKPSA-N 1 0 336.348 0.576 20 5 ECBDRO Cc1nn(C(C)C)cc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025776704 739945652 /nfs/dbraw/zinc/94/56/52/739945652.db2.gz FRYYUEMQUXOUMD-LJIZCISZSA-N 1 0 347.419 0.984 20 5 ECBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]Cc2nnnn2C2CC2)CC1 ZINC000997772230 743801917 /nfs/dbraw/zinc/80/19/17/743801917.db2.gz MPOPCWVQFFYBQP-CHWSQXEVSA-N 1 0 349.395 0.001 20 5 ECBDRO Cc1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1C1CC1 ZINC000983648894 744992596 /nfs/dbraw/zinc/99/25/96/744992596.db2.gz LJPMCUVABSCOEB-HBJVGIJOSA-N 1 0 348.407 0.571 20 5 ECBDRO CC(C)n1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1 ZINC000983654602 745000434 /nfs/dbraw/zinc/00/04/34/745000434.db2.gz OWPUTGWISZRFKX-HBJVGIJOSA-N 1 0 336.396 0.509 20 5 ECBDRO O=C(Cn1ncnn1)N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000983674127 745041402 /nfs/dbraw/zinc/04/14/02/745041402.db2.gz GFXHJHXTSUNZJR-JOCQHMNTSA-N 1 0 345.363 0.266 20 5 ECBDRO Cn1ccc(C[N@H+]2CC=C(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1=O ZINC001000669731 745684733 /nfs/dbraw/zinc/68/47/33/745684733.db2.gz LNFYALTVEODWPT-HUUCEWRRSA-N 1 0 346.387 0.299 20 5 ECBDRO Cn1nccc1CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001001398295 746339912 /nfs/dbraw/zinc/33/99/12/746339912.db2.gz BPHOOYWJHGLNSP-HUUCEWRRSA-N 1 0 335.408 0.456 20 5 ECBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](CCn1cccn1)C2 ZINC000981763370 751074514 /nfs/dbraw/zinc/07/45/14/751074514.db2.gz HGQZCNQWHCTDIF-ZIAGYGMSSA-N 1 0 333.392 0.473 20 5 ECBDRO O=C(Cn1cnnn1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000989917562 754549620 /nfs/dbraw/zinc/54/96/20/754549620.db2.gz JYLRTWFEJOBMRU-UHFFFAOYSA-N 1 0 345.363 0.362 20 5 ECBDRO Cc1cc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)no1 ZINC000983105502 754620446 /nfs/dbraw/zinc/62/04/46/754620446.db2.gz KOGRIAFYVFBKSZ-XYPYZODXSA-N 1 0 348.363 0.923 20 5 ECBDRO O=C(Cn1cnnn1)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000983124474 754688088 /nfs/dbraw/zinc/68/80/88/754688088.db2.gz TUPHOODVNAAVSR-AULYBMBSSA-N 1 0 345.363 0.266 20 5 ECBDRO O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])N(C1CC1)C1CCCC1 ZINC001126938750 756793944 /nfs/dbraw/zinc/79/39/44/756793944.db2.gz JKJZORBDMUHRLF-ZIAGYGMSSA-N 1 0 338.408 0.291 20 5 ECBDRO CCN(C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCCCC1 ZINC001126942824 756906903 /nfs/dbraw/zinc/90/69/03/756906903.db2.gz HTADKPMVTOQUIN-ZIAGYGMSSA-N 1 0 340.424 0.539 20 5 ECBDRO Cc1cccnc1C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001048814443 757082917 /nfs/dbraw/zinc/08/29/17/757082917.db2.gz LLQAPZITMDBBJJ-HLPPOEQASA-N 1 0 330.388 0.945 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)C2=CCOCC2)C1 ZINC001022000104 758150716 /nfs/dbraw/zinc/15/07/16/758150716.db2.gz CVCHWAPLNSINKR-TXEJJXNPSA-N 1 0 335.364 0.412 20 5 ECBDRO NC(=O)c1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC001022063588 758226562 /nfs/dbraw/zinc/22/65/62/758226562.db2.gz FIDFFGBQBIABNV-XJFOESAGSA-N 1 0 332.360 0.188 20 5 ECBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2noc3c2CCCC3)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063729 758226835 /nfs/dbraw/zinc/22/68/35/758226835.db2.gz JHWFLKUXTYCGGI-IQOUGMIPSA-N 1 0 334.376 0.955 20 5 ECBDRO Cn1nnc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)n1 ZINC001022561102 758888338 /nfs/dbraw/zinc/88/83/38/758888338.db2.gz ZDBDHZXARQCERP-DTORHVGOSA-N 1 0 337.365 0.230 20 5 ECBDRO Cc1nnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC001050326306 760131575 /nfs/dbraw/zinc/13/15/75/760131575.db2.gz WQKNCWRBWZGFRM-FDYHWXHSSA-N 1 0 337.380 0.808 20 5 ECBDRO Cc1ncc(C[NH+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)CC2)cn1 ZINC001050516681 760412303 /nfs/dbraw/zinc/41/23/03/760412303.db2.gz GMEWFYOCTLNCBV-HUUCEWRRSA-N 1 0 345.403 0.875 20 5 ECBDRO CCN(CCNc1ncc([N+](=O)[O-])c(N)n1)C(=O)CCC[NH+](C)C ZINC001106926594 763465660 /nfs/dbraw/zinc/46/56/60/763465660.db2.gz MBZDPTWIZIDKEY-UHFFFAOYSA-N 1 0 339.400 0.569 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001020041506 772102394 /nfs/dbraw/zinc/10/23/94/772102394.db2.gz JBDCMHKUHHYASS-XYPYZODXSA-N 1 0 333.352 0.031 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)c2ccncc2F)C1 ZINC001020041595 772102420 /nfs/dbraw/zinc/10/24/20/772102420.db2.gz NQNIEWLOSYIXPL-MGCOHNPYSA-N 1 0 348.338 0.913 20 5 ECBDRO O=C(CN1CCOCC1)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001020083790 772138088 /nfs/dbraw/zinc/13/80/88/772138088.db2.gz XWEZCFMTRMMXKM-SHTZXODSSA-N 1 0 348.403 0.664 20 5 ECBDRO CN(C(=O)C12CC[NH+](CC1)C2)C1CN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001044193209 775892709 /nfs/dbraw/zinc/89/27/09/775892709.db2.gz YTSDDYKZERVOKY-UHFFFAOYSA-N 1 0 348.407 0.067 20 5 ECBDRO CC[N@@H+]1CCn2c(nnc2C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC001074109710 787897490 /nfs/dbraw/zinc/89/74/90/787897490.db2.gz ICVMHEFUYXKLHE-CHWSQXEVSA-N 1 0 348.407 0.485 20 5 ECBDRO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CC(=O)NC(=O)C1 ZINC001267440850 837420494 /nfs/dbraw/zinc/42/04/94/837420494.db2.gz YQTQRUSLHHPIRK-UHFFFAOYSA-N 1 0 348.359 0.196 20 5 ECBDRO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1cnn(C)c1N ZINC001267364264 837257131 /nfs/dbraw/zinc/25/71/31/837257131.db2.gz YAWZMGISGHTHIE-UHFFFAOYSA-N 1 0 332.364 0.772 20 5 ECBDRO O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000428121654 210245945 /nfs/dbraw/zinc/24/59/45/210245945.db2.gz PYKFSYZOAMHEIZ-MNOVXSKESA-N 1 0 336.348 0.661 20 5 ECBDRO NC(=O)CC[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174709733 231285541 /nfs/dbraw/zinc/28/55/41/231285541.db2.gz UROVEEWJFGCLST-HNNXBMFYSA-N 1 0 347.375 0.530 20 5 ECBDRO C[NH+]1CCN(CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000181298609 530072092 /nfs/dbraw/zinc/07/20/92/530072092.db2.gz ACXXNNMADOJPRE-UHFFFAOYSA-N 1 0 332.360 0.828 20 5 ECBDRO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000066620687 215059194 /nfs/dbraw/zinc/05/91/94/215059194.db2.gz NXNPDZLXOZTBTL-LBPRGKRZSA-N 1 0 346.387 0.925 20 5 ECBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000423094227 209698887 /nfs/dbraw/zinc/69/88/87/209698887.db2.gz BEPILNDTFVMFCH-TZMCWYRMSA-N 1 0 346.387 0.764 20 5 ECBDRO C[C@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]1 ZINC000422936412 209677510 /nfs/dbraw/zinc/67/75/10/209677510.db2.gz MIXCPOSLIYYOKE-SMDDNHRTSA-N 1 0 342.421 0.603 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2CC[NH2+]C(C)(C)C2)ccc1[N+](=O)[O-] 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246167730 /nfs/dbraw/zinc/16/77/30/246167730.db2.gz PVHCTHOCWGZFQW-UHFFFAOYSA-N 1 0 341.412 0.917 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000449713553 211296009 /nfs/dbraw/zinc/29/60/09/211296009.db2.gz YICFBCLWTSNSIT-GMXVVIOVSA-N 1 0 334.376 0.957 20 5 ECBDRO O=C(NC[C@H]1C[NH2+]CCCO1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449712107 211293684 /nfs/dbraw/zinc/29/36/84/211293684.db2.gz QAUHJKZHMFEXAR-CQSZACIVSA-N 1 0 345.359 0.889 20 5 ECBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000449694385 211291989 /nfs/dbraw/zinc/29/19/89/211291989.db2.gz HECSZPFHULZBBF-GFCCVEGCSA-N 1 0 344.375 0.414 20 5 ECBDRO O=C(C[NH2+][C@H](CO)[C@H]1CCCO1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000447901069 211213681 /nfs/dbraw/zinc/21/36/81/211213681.db2.gz AYFYWKRRISKOAA-UKRRQHHQSA-N 1 0 335.360 0.613 20 5 ECBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000446407403 211143641 /nfs/dbraw/zinc/14/36/41/211143641.db2.gz 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343.405 0.888 20 5 ECBDRO Nc1c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc(F)cc1[N+](=O)[O-] ZINC000326910467 437234561 /nfs/dbraw/zinc/23/45/61/437234561.db2.gz NVNYQKQDPGLIOF-WDEREUQCSA-N 1 0 338.339 0.909 20 5 ECBDRO COCC[N@H+](C)C[C@H](O)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000326758924 437235310 /nfs/dbraw/zinc/23/53/10/437235310.db2.gz NJJGFFUIEPPLTC-AWEZNQCLSA-N 1 0 335.364 0.792 20 5 ECBDRO [NH3+]CCn1cc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)nn1 ZINC000327600056 437235840 /nfs/dbraw/zinc/23/58/40/437235840.db2.gz QURVUBMVHAXKJJ-UHFFFAOYSA-N 1 0 345.363 0.107 20 5 ECBDRO O=C1c2ccccc2C(=O)N1CC[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000278497344 437317857 /nfs/dbraw/zinc/31/78/57/437317857.db2.gz MWXDVLQEARGMMC-UHFFFAOYSA-N 1 0 329.316 0.677 20 5 ECBDRO C[NH+](C)[C@]1(CNc2ncc([N+](=O)[O-])cc2C(N)=O)CCSC1 ZINC000267120656 437291522 /nfs/dbraw/zinc/29/15/22/437291522.db2.gz TWDLZJGWSPGHTN-ZDUSSCGKSA-N 1 0 325.394 0.938 20 5 ECBDRO 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437627007 /nfs/dbraw/zinc/62/70/07/437627007.db2.gz MRMVRTLSROKOLY-IAGOWNOFSA-N 1 0 346.387 0.788 20 5 ECBDRO C[N@@H+]1CC[C@]2(CCN(c3cc([N+](=O)[O-])ccc3S(N)(=O)=O)C2)C1 ZINC000292329133 437680421 /nfs/dbraw/zinc/68/04/21/437680421.db2.gz PHEZCBGWSOWQBW-AWEZNQCLSA-N 1 0 340.405 0.774 20 5 ECBDRO C[C@@H]1COCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000192567779 437682309 /nfs/dbraw/zinc/68/23/09/437682309.db2.gz SDNMSYNZPRGTHV-NEPJUHHUSA-N 1 0 343.405 0.888 20 5 ECBDRO COc1cccc(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000192568884 437683178 /nfs/dbraw/zinc/68/31/78/437683178.db2.gz GCPCDYORVRGBEC-LBPRGKRZSA-N 1 0 336.392 0.969 20 5 ECBDRO CN(C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000192974025 437696538 /nfs/dbraw/zinc/69/65/38/437696538.db2.gz NIXOVRXJIDNFCQ-UHFFFAOYSA-N 1 0 334.376 0.877 20 5 ECBDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000192921807 437696880 /nfs/dbraw/zinc/69/68/80/437696880.db2.gz 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JJRRNYYLFWALTD-NEPJUHHUSA-N 1 0 336.392 0.975 20 5 ECBDRO O=C(C[NH2+][C@H](CO)C1CCOCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000359856873 438511119 /nfs/dbraw/zinc/51/11/19/438511119.db2.gz CWACDSVKBDJDPO-OAHLLOKOSA-N 1 0 349.387 0.861 20 5 ECBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)n1 ZINC000370058898 438548333 /nfs/dbraw/zinc/54/83/33/438548333.db2.gz CJAQHBCHSDABCA-CQSZACIVSA-N 1 0 339.396 0.121 20 5 ECBDRO COc1cc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000440404268 438550461 /nfs/dbraw/zinc/55/04/61/438550461.db2.gz BNJHGTRKHSFJCL-GXSJLCMTSA-N 1 0 329.378 0.961 20 5 ECBDRO C[C@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000422984472 438624274 /nfs/dbraw/zinc/62/42/74/438624274.db2.gz XWIOLUVIZBGZJE-RYUDHWBXSA-N 1 0 342.421 0.603 20 5 ECBDRO COC[C@@]1(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000422999726 438626373 /nfs/dbraw/zinc/62/63/73/438626373.db2.gz FTPNWFCONNRQDS-OAHLLOKOSA-N 1 0 337.332 0.946 20 5 ECBDRO 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/nfs/dbraw/zinc/81/10/20/438811020.db2.gz NAEUXRUAKJNCLC-NSHDSACASA-N 1 0 348.407 0.443 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000595608415 438833746 /nfs/dbraw/zinc/83/37/46/438833746.db2.gz PGPQHHXDPDWIKS-ZIAGYGMSSA-N 1 0 347.375 0.948 20 5 ECBDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000577602434 438856208 /nfs/dbraw/zinc/85/62/08/438856208.db2.gz AVBVUDBEFBZBHO-CYZMBNFOSA-N 1 0 346.409 0.098 20 5 ECBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)CCN2C1=O ZINC000514952065 438841559 /nfs/dbraw/zinc/84/15/59/438841559.db2.gz SBUDBGDHPNNPCO-NWDGAFQWSA-N 1 0 337.311 0.510 20 5 ECBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)CCN2C1=O ZINC000514952070 438841746 /nfs/dbraw/zinc/84/17/46/438841746.db2.gz SBUDBGDHPNNPCO-VXGBXAGGSA-N 1 0 337.311 0.510 20 5 ECBDRO O=C1CC[C@@H]2C[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@H]2N1 ZINC000595742151 438855025 /nfs/dbraw/zinc/85/50/25/438855025.db2.gz 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ZINC000517364769 438959420 /nfs/dbraw/zinc/95/94/20/438959420.db2.gz JSMYPMCKFWDSED-ZDUSSCGKSA-N 1 0 335.408 0.785 20 5 ECBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000596537891 438973591 /nfs/dbraw/zinc/97/35/91/438973591.db2.gz JHTAKDFVIXGICT-GFCCVEGCSA-N 1 0 335.364 0.124 20 5 ECBDRO Cc1c(CNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000591415909 439010429 /nfs/dbraw/zinc/01/04/29/439010429.db2.gz RUENJKOEYLDZTH-ZDUSSCGKSA-N 1 0 334.376 0.778 20 5 ECBDRO Cc1cccc2nc(C[NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)cn21 ZINC000565828921 438981989 /nfs/dbraw/zinc/98/19/89/438981989.db2.gz NAKHSHLWMPNSSE-AWEZNQCLSA-N 1 0 330.348 0.898 20 5 ECBDRO CCc1ccc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000517935691 438983042 /nfs/dbraw/zinc/98/30/42/438983042.db2.gz ATMGVYVKVAATPT-TXEJJXNPSA-N 1 0 325.390 0.997 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@](O)(CO)C2)c1 ZINC000459652094 438984957 /nfs/dbraw/zinc/98/49/57/438984957.db2.gz QBQQNWBPJIQAQE-DZGCQCFKSA-N 1 0 326.349 0.154 20 5 ECBDRO O=C(Nc1ccncc1[N+](=O)[O-])NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000596817839 439004752 /nfs/dbraw/zinc/00/47/52/439004752.db2.gz SPGVXYKEENQRBG-GFCCVEGCSA-N 1 0 335.364 0.787 20 5 ECBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000591348346 439006344 /nfs/dbraw/zinc/00/63/44/439006344.db2.gz VVJHLCYMLQIBDU-CYBMUJFWSA-N 1 0 349.391 0.591 20 5 ECBDRO O=C1C[C@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000566132214 439011312 /nfs/dbraw/zinc/01/13/12/439011312.db2.gz URNUYUUQRAAQIM-TZMCWYRMSA-N 1 0 349.387 0.935 20 5 ECBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000591425696 439012402 /nfs/dbraw/zinc/01/24/02/439012402.db2.gz ITJQDEAFUFPLHX-ZDUSSCGKSA-N 1 0 333.392 0.946 20 5 ECBDRO O=C(CN1CC[C@H]2CC[NH2+][C@@H]2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000591449328 439015319 /nfs/dbraw/zinc/01/53/19/439015319.db2.gz VIZNBMKCMXDCLI-ZYHUDNBSSA-N 1 0 348.359 0.946 20 5 ECBDRO CNc1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000520765007 439094487 /nfs/dbraw/zinc/09/44/87/439094487.db2.gz RGAPJNBPJQKEJX-CYBMUJFWSA-N 1 0 349.391 0.706 20 5 ECBDRO COC(=O)C1CCC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000591736900 439077053 /nfs/dbraw/zinc/07/70/53/439077053.db2.gz YAVPHASQLOXPMI-XIVSLSHWSA-N 1 0 326.353 0.474 20 5 ECBDRO O=C(CN1C(=O)N[C@@]2(CCC[NH2+]C2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000592179446 439171891 /nfs/dbraw/zinc/17/18/91/439171891.db2.gz VZCWJTMOVNASEN-OAHLLOKOSA-N 1 0 332.316 0.452 20 5 ECBDRO CO[C@@H]1C[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1OC ZINC000488011279 439172235 /nfs/dbraw/zinc/17/22/35/439172235.db2.gz RHLVCKVWXSUKOX-KCPJHIHWSA-N 1 0 326.349 0.680 20 5 ECBDRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000567238226 439126365 /nfs/dbraw/zinc/12/63/65/439126365.db2.gz BNIFGJJJAFKPKR-OAHLLOKOSA-N 1 0 346.387 0.954 20 5 ECBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000597620597 439141173 /nfs/dbraw/zinc/14/11/73/439141173.db2.gz RXKFZEWDCIQWIH-GFCCVEGCSA-N 1 0 337.380 0.655 20 5 ECBDRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000567652375 439162384 /nfs/dbraw/zinc/16/23/84/439162384.db2.gz ZFIVIFHRTFFOHZ-LBPRGKRZSA-N 1 0 346.387 0.547 20 5 ECBDRO C[NH+](C)CC1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000597709493 439163953 /nfs/dbraw/zinc/16/39/53/439163953.db2.gz WFMFVZVRJHSPOT-UHFFFAOYSA-N 1 0 348.359 0.340 20 5 ECBDRO [NH3+]CCCCC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000592145115 439165169 /nfs/dbraw/zinc/16/51/69/439165169.db2.gz PTXNBCYRDXODLE-UHFFFAOYSA-N 1 0 344.393 0.118 20 5 ECBDRO COC(=O)[C@@]1(C)C[C@H](OC)CN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602937580 439165320 /nfs/dbraw/zinc/16/53/20/439165320.db2.gz SOHDTZUZVVRJQT-SMDDNHRTSA-N 1 0 326.353 0.752 20 5 ECBDRO [NH3+][C@H]1C[C@@H](C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000567898695 439194238 /nfs/dbraw/zinc/19/42/38/439194238.db2.gz JCSPALHHRDTSBK-AOOOYVTPSA-N 1 0 338.389 0.678 20 5 ECBDRO COC(=O)c1cc(C(=O)N2CCN(C)C[C@@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000592308222 439199530 /nfs/dbraw/zinc/19/95/30/439199530.db2.gz CAEGZDYNQMFLEG-ZDUSSCGKSA-N 1 0 336.348 0.096 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000592368102 439211943 /nfs/dbraw/zinc/21/19/43/439211943.db2.gz LGJQDNLUDCDRIM-JTQLQIEISA-N 1 0 329.378 0.881 20 5 ECBDRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592375723 439214464 /nfs/dbraw/zinc/21/44/64/439214464.db2.gz WMSCWHYIWIPELP-RISCZKNCSA-N 1 0 343.405 0.515 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000592386893 439216528 /nfs/dbraw/zinc/21/65/28/439216528.db2.gz YTCOCJGCXSTLEC-ZJUUUORDSA-N 1 0 329.378 0.880 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000592387390 439217642 /nfs/dbraw/zinc/21/76/42/439217642.db2.gz WUVMOURUJQGAFE-ZJUUUORDSA-N 1 0 329.378 0.974 20 5 ECBDRO C[NH+](C)[C@@H]1CCCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000598593061 439282368 /nfs/dbraw/zinc/28/23/68/439282368.db2.gz OUPTWLDPRGMDEK-GFCCVEGCSA-N 1 0 336.396 0.752 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000592475095 439235585 /nfs/dbraw/zinc/23/55/85/439235585.db2.gz NHYNLPVDDLSEPM-QMTHXVAHSA-N 1 0 338.364 0.590 20 5 ECBDRO COCC[N@H+](C)C[C@H](O)CN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000569235239 439315714 /nfs/dbraw/zinc/31/57/14/439315714.db2.gz RXBXPQVWVLZOJR-HNNXBMFYSA-N 1 0 339.392 0.728 20 5 ECBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000582349650 439324243 /nfs/dbraw/zinc/32/42/43/439324243.db2.gz ONDRZUBZYIBANI-OAHLLOKOSA-N 1 0 333.392 0.784 20 5 ECBDRO C[N@H+]1C[C@H]2CN(C(=O)CNC(=O)Nc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000598904362 439325713 /nfs/dbraw/zinc/32/57/13/439325713.db2.gz FJITXFXSXPBFBB-TXEJJXNPSA-N 1 0 347.375 0.736 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC000592998708 439330813 /nfs/dbraw/zinc/33/08/13/439330813.db2.gz FEMUIWOLDMDBNJ-CABCVRRESA-N 1 0 337.376 0.085 20 5 ECBDRO COC[C@@H]1C[C@@H](O)C[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000593060586 439335205 /nfs/dbraw/zinc/33/52/05/439335205.db2.gz CPLUGDNJBSBCOO-MJBXVCDLSA-N 1 0 326.349 0.416 20 5 ECBDRO Cc1ccc(S(=O)(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000598609503 439286503 /nfs/dbraw/zinc/28/65/03/439286503.db2.gz YZEXBSOYFBRVND-AWEZNQCLSA-N 1 0 343.405 0.557 20 5 ECBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598664655 439298552 /nfs/dbraw/zinc/29/85/52/439298552.db2.gz IPYPHZUOQZPICQ-JQWIXIFHSA-N 1 0 335.364 0.960 20 5 ECBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598664654 439298746 /nfs/dbraw/zinc/29/87/46/439298746.db2.gz IPYPHZUOQZPICQ-CMPLNLGQSA-N 1 0 335.364 0.960 20 5 ECBDRO [NH3+]CC1(O)CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000582180500 439299119 /nfs/dbraw/zinc/29/91/19/439299119.db2.gz ZGIQODNITZUKBG-UHFFFAOYSA-N 1 0 345.359 0.706 20 5 ECBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598665886 439299601 /nfs/dbraw/zinc/29/96/01/439299601.db2.gz RXSXUEYCWNSCAB-MFKMUULPSA-N 1 0 335.364 0.831 20 5 ECBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598665866 439299917 /nfs/dbraw/zinc/29/99/17/439299917.db2.gz RJJCVDHAYDMGHD-LBPRGKRZSA-N 1 0 335.364 0.973 20 5 ECBDRO [NH3+]CC[C@H](NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)C(F)F ZINC000598665253 439300707 /nfs/dbraw/zinc/30/07/07/439300707.db2.gz NYQMFJBXWJBCND-JTQLQIEISA-N 1 0 345.306 0.815 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000604267961 439305082 /nfs/dbraw/zinc/30/50/82/439305082.db2.gz JIPWSZBQJGEBRZ-WCQYABFASA-N 1 0 334.376 0.924 20 5 ECBDRO C[NH+](C)CCCOc1cnccc1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000582578092 439352192 /nfs/dbraw/zinc/35/21/92/439352192.db2.gz OMLSOEQHPVHXSF-UHFFFAOYSA-N 1 0 348.363 0.973 20 5 ECBDRO C[NH+](C)CCN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1=O ZINC000593235639 439355742 /nfs/dbraw/zinc/35/57/42/439355742.db2.gz WZOVQJGGWIFSDA-UHFFFAOYSA-N 1 0 326.378 0.502 20 5 ECBDRO CCn1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCC3)c([N+](=O)[O-])n1 ZINC000599103235 439357222 /nfs/dbraw/zinc/35/72/22/439357222.db2.gz PSVVNUPQPCPOCX-SNVBAGLBSA-N 1 0 329.382 0.374 20 5 ECBDRO Cn1c2cc(NCC[N@@H+]3CC[C@H](O)C3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000599199869 439380332 /nfs/dbraw/zinc/38/03/32/439380332.db2.gz VDWBXKYXSBDVFK-JTQLQIEISA-N 1 0 335.364 0.264 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H](CO)Cc2ccncc2)c1 ZINC000582785396 439380387 /nfs/dbraw/zinc/38/03/87/439380387.db2.gz DXQKMQGHRXRFIS-GOEBONIOSA-N 1 0 347.371 0.923 20 5 ECBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599245637 439397829 /nfs/dbraw/zinc/39/78/29/439397829.db2.gz VOOVPKPQBRFCNG-NXEZZACHSA-N 1 0 331.398 0.289 20 5 ECBDRO C[NH+](C)C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCOCC1 ZINC000593542976 439399404 /nfs/dbraw/zinc/39/94/04/439399404.db2.gz CSWPUSJQZFLQHL-UHFFFAOYSA-N 1 0 344.393 0.379 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H](O)C2CCOCC2)c1 ZINC000570396907 439416479 /nfs/dbraw/zinc/41/64/79/439416479.db2.gz XUBOTPBKMKYIBK-GOEBONIOSA-N 1 0 340.376 0.712 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H](CCO)c2ccccc2)c1 ZINC000583143346 439425414 /nfs/dbraw/zinc/42/54/14/439425414.db2.gz HOCLNOGUUKYSBW-ZBFHGGJFSA-N 1 0 334.376 0.908 20 5 ECBDRO CC(C)(CO)[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccnc1 ZINC000570791142 439450564 /nfs/dbraw/zinc/45/05/64/439450564.db2.gz RNEAKDXTKDVITL-LSDHHAIUSA-N 1 0 349.391 0.897 20 5 ECBDRO C[C@@H]1CCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000570943836 439462357 /nfs/dbraw/zinc/46/23/57/439462357.db2.gz IQTFORUJWHHMOY-DGCLKSJQSA-N 1 0 334.376 0.654 20 5 ECBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594027057 439510199 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ZINC000595112185 439654290 /nfs/dbraw/zinc/65/42/90/439654290.db2.gz UXBKRJMNELOMKM-ZDUSSCGKSA-N 1 0 326.378 0.754 20 5 ECBDRO CC1([NH+]2CCOCC2)CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000600412175 439654407 /nfs/dbraw/zinc/65/44/07/439654407.db2.gz YRNIJYJXPKNXPJ-UHFFFAOYSA-N 1 0 337.380 0.505 20 5 ECBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000595119320 439656201 /nfs/dbraw/zinc/65/62/01/439656201.db2.gz FLQYTWGSPNRIGI-SNVBAGLBSA-N 1 0 326.378 0.943 20 5 ECBDRO COc1ccc(S(=O)(=O)NCC23CC(C2)C[NH2+]3)cc1[N+](=O)[O-] ZINC000595124997 439656766 /nfs/dbraw/zinc/65/67/66/439656766.db2.gz KXTGPNPWKFBYQF-UHFFFAOYSA-N 1 0 327.362 0.634 20 5 ECBDRO Nc1cc(N2CC[NH+](C[C@@H]3CCCO3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000586986557 439666392 /nfs/dbraw/zinc/66/63/92/439666392.db2.gz ZYIXIDZJGONLJB-AWEZNQCLSA-N 1 0 336.392 0.970 20 5 ECBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCC[N@H+]1CC[C@H](O)C1 ZINC000600808210 439704082 /nfs/dbraw/zinc/70/40/82/439704082.db2.gz MQWSKIOUZSDDSU-AWEZNQCLSA-N 1 0 332.360 0.732 20 5 ECBDRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])C1 ZINC000595357031 439712702 /nfs/dbraw/zinc/71/27/02/439712702.db2.gz WOGWSSCVUJILJP-SNVBAGLBSA-N 1 0 331.398 0.574 20 5 ECBDRO COc1ccc(NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000595231229 439676548 /nfs/dbraw/zinc/67/65/48/439676548.db2.gz NYELLBAHGRZGQK-MNOVXSKESA-N 1 0 349.347 0.379 20 5 ECBDRO Cc1ccc(NCCCNC(=O)c2cn(CC[NH3+])nn2)c([N+](=O)[O-])c1 ZINC000595251203 439682323 /nfs/dbraw/zinc/68/23/23/439682323.db2.gz ZRYOFWSEOKLDJJ-UHFFFAOYSA-N 1 0 347.379 0.685 20 5 ECBDRO Cc1c(CNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)cccc1[N+](=O)[O-] ZINC000595273525 439686723 /nfs/dbraw/zinc/68/67/23/439686723.db2.gz HQHCEQJLMDOQFI-UHFFFAOYSA-N 1 0 346.347 0.857 20 5 ECBDRO CC1(C)CN(C(=O)CNc2ccccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000614894973 439789921 /nfs/dbraw/zinc/78/99/21/439789921.db2.gz MFKRLBHKISGKTC-UHFFFAOYSA-N 1 0 336.392 0.922 20 5 ECBDRO C[C@@H](C[NH+](C)C)NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000287283849 320648786 /nfs/dbraw/zinc/64/87/86/320648786.db2.gz UCDCPUVUWZXGID-VIFPVBQESA-N 1 0 340.405 0.852 20 5 ECBDRO COc1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(OC)c1 ZINC000324725748 320720865 /nfs/dbraw/zinc/72/08/65/320720865.db2.gz GNAUXZIBQURUAG-ZDUSSCGKSA-N 1 0 336.348 0.959 20 5 ECBDRO CCn1cc(S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])n1 ZINC000330455965 320826499 /nfs/dbraw/zinc/82/64/99/320826499.db2.gz OMTVUBMKORNSCY-QWRGUYRKSA-N 1 0 345.425 0.962 20 5 ECBDRO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[NH2+]C1 ZINC000342708795 321100126 /nfs/dbraw/zinc/10/01/26/321100126.db2.gz JKEVAPLGYZINLV-LBPRGKRZSA-N 1 0 335.364 0.120 20 5 ECBDRO CS(=O)(=O)c1cc(C(=O)NC[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000342714735 321100681 /nfs/dbraw/zinc/10/06/81/321100681.db2.gz PDUUNUUILBQYPE-VIFPVBQESA-N 1 0 327.362 0.338 20 5 ECBDRO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[NH+](C)C ZINC000345430298 321187219 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O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)NC1C[NH2+]C1 ZINC000572501141 322746018 /nfs/dbraw/zinc/74/60/18/322746018.db2.gz VFWNHWGAQDRJCK-UHFFFAOYSA-N 1 0 346.265 0.318 20 5 ECBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000574340549 322777723 /nfs/dbraw/zinc/77/77/23/322777723.db2.gz JJWXMRBNHBAGPX-VXGBXAGGSA-N 1 0 347.375 0.987 20 5 ECBDRO [NH3+][C@@H]1C[C@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CCN2C1=O ZINC000577077746 322824423 /nfs/dbraw/zinc/82/44/23/322824423.db2.gz OTDYXKOIPZGDRL-WDEREUQCSA-N 1 0 331.332 0.480 20 5 ECBDRO Cc1c(C(=O)N2CC[NH2+][C@H](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000155165892 533756724 /nfs/dbraw/zinc/75/67/24/533756724.db2.gz KWCHIIMRRXZXEH-SNVBAGLBSA-N 1 0 330.348 0.918 20 5 ECBDRO CCCc1n[nH]c(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000160152500 528547357 /nfs/dbraw/zinc/54/73/57/528547357.db2.gz HDFYUDXTNHVTEA-NSHDSACASA-N 1 0 338.412 0.636 20 5 ECBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c1 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219080400 /nfs/dbraw/zinc/08/04/00/219080400.db2.gz PGKGCFCROWBERO-UHFFFAOYSA-N 1 0 330.348 0.953 20 5 ECBDRO CNC(=O)C1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181521733 529842238 /nfs/dbraw/zinc/84/22/38/529842238.db2.gz YQUYYYXBSCUTOR-ZDUSSCGKSA-N 1 0 337.376 0.793 20 5 ECBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000178712024 232398105 /nfs/dbraw/zinc/39/81/05/232398105.db2.gz ABURAVQTGAIATR-INIZCTEOSA-N 1 0 347.375 0.823 20 5 ECBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000420444604 209366691 /nfs/dbraw/zinc/36/66/91/209366691.db2.gz CSMFXMDHFWPCFF-OCCSQVGLSA-N 1 0 325.390 0.761 20 5 ECBDRO C[NH2+]CCCNS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000420409174 209363038 /nfs/dbraw/zinc/36/30/38/209363038.db2.gz YAGSYXWMGMNVBP-UHFFFAOYSA-N 1 0 331.350 0.269 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)NC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000420402827 209361617 /nfs/dbraw/zinc/36/16/17/209361617.db2.gz JRMHNHFUMGBSDR-UHFFFAOYSA-N 1 0 343.361 0.412 20 5 ECBDRO [NH3+]C[C@@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCCO1 ZINC000420398965 209360400 /nfs/dbraw/zinc/36/04/00/209360400.db2.gz ZMYWKYAHNJCZRJ-CABCVRRESA-N 1 0 334.376 0.750 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000420309819 209351347 /nfs/dbraw/zinc/35/13/47/209351347.db2.gz FUBZXFHYADKTRP-OLZOCXBDSA-N 1 0 339.417 0.910 20 5 ECBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000420147600 209321999 /nfs/dbraw/zinc/32/19/99/209321999.db2.gz SJTJUXDRZMPPCB-WCQYABFASA-N 1 0 334.376 0.810 20 5 ECBDRO CC[NH+](CC)CC(=O)N1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000355932790 299322008 /nfs/dbraw/zinc/32/20/08/299322008.db2.gz QSNOGWWLGHIBRU-UHFFFAOYSA-N 1 0 338.412 0.314 20 5 ECBDRO C[C@H](C[NH3+])CNC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000419961059 209260784 /nfs/dbraw/zinc/26/07/84/209260784.db2.gz SWTFFGAPTPGZCI-LLVKDONJSA-N 1 0 334.376 0.797 20 5 ECBDRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000419960164 209261497 /nfs/dbraw/zinc/26/14/97/209261497.db2.gz VYTQNCPDSPSYBY-NSHDSACASA-N 1 0 334.376 0.451 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1([NH+](C)C)CC1 ZINC000419809583 209210223 /nfs/dbraw/zinc/21/02/23/209210223.db2.gz KSOPLHIVLDIMMK-UHFFFAOYSA-N 1 0 336.348 0.752 20 5 ECBDRO [NH3+]CCCNC(=O)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000419766547 209199519 /nfs/dbraw/zinc/19/95/19/209199519.db2.gz DJCGKDYEBCBUKK-UHFFFAOYSA-N 1 0 348.281 0.695 20 5 ECBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCCN1CC[NH2+]CC1 ZINC000237666197 242744917 /nfs/dbraw/zinc/74/49/17/242744917.db2.gz RXBSEBZBHOMKQN-UHFFFAOYSA-N 1 0 342.421 0.477 20 5 ECBDRO CC[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC[N@@H+]1C[C@H](C)O ZINC000246989585 243349581 /nfs/dbraw/zinc/34/95/81/243349581.db2.gz UZCAAWCSOZELPC-WCQYABFASA-N 1 0 339.396 0.403 20 5 ECBDRO CC[NH+](CC)CC(=O)N1CCN(c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000264205268 246180923 /nfs/dbraw/zinc/18/09/23/246180923.db2.gz KDQUESQWYWDLJM-UHFFFAOYSA-N 1 0 338.412 0.627 20 5 ECBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000237945163 296227775 /nfs/dbraw/zinc/22/77/75/296227775.db2.gz LSLBUSSOXWRGRV-JTQLQIEISA-N 1 0 338.389 0.693 20 5 ECBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000451595361 211398985 /nfs/dbraw/zinc/39/89/85/211398985.db2.gz WIXHPBDSCRYLAK-MCIONIFRSA-N 1 0 340.380 0.864 20 5 ECBDRO COCCOC[C@H](O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450557172 211329435 /nfs/dbraw/zinc/32/94/35/211329435.db2.gz BMUGWWFLPCNKSD-GXTWGEPZSA-N 1 0 340.380 0.500 20 5 ECBDRO O=C(NC[C@H]1C[NH2+]CCCO1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000449713394 211294115 /nfs/dbraw/zinc/29/41/15/211294115.db2.gz XKPALFXDXXQCTI-CYBMUJFWSA-N 1 0 346.347 0.284 20 5 ECBDRO [NH3+]CC[C@@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C(F)F ZINC000449627469 211286987 /nfs/dbraw/zinc/28/69/87/211286987.db2.gz QRUKAICIJDFZIG-SNVBAGLBSA-N 1 0 340.290 0.888 20 5 ECBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000357041428 299502960 /nfs/dbraw/zinc/50/29/60/299502960.db2.gz FEOWVQPMVRUXDM-NSHDSACASA-N 1 0 337.380 0.559 20 5 ECBDRO COc1cc(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000447247133 211176745 /nfs/dbraw/zinc/17/67/45/211176745.db2.gz IILYWZHDWXEBPK-NXEZZACHSA-N 1 0 329.378 0.961 20 5 ECBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000440639013 210843539 /nfs/dbraw/zinc/84/35/39/210843539.db2.gz NAKDUVNUZNVVNX-CYBMUJFWSA-N 1 0 341.412 0.999 20 5 ECBDRO COC[C@](C)(CCO)[NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000267466875 251083264 /nfs/dbraw/zinc/08/32/64/251083264.db2.gz MKWYMWLEPVKNJO-HNNXBMFYSA-N 1 0 341.364 0.919 20 5 ECBDRO C[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000408032671 207820050 /nfs/dbraw/zinc/82/00/50/207820050.db2.gz AJLJKGPACMEASG-KBPBESRZSA-N 1 0 336.440 0.786 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c1 ZINC000411953467 208178060 /nfs/dbraw/zinc/17/80/60/208178060.db2.gz UGYVYTPFHHQVTI-ARFHVFGLSA-N 1 0 332.360 0.960 20 5 ECBDRO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000411958688 208178313 /nfs/dbraw/zinc/17/83/13/208178313.db2.gz CJCMPSZZBCLQIC-INIZCTEOSA-N 1 0 329.360 0.920 20 5 ECBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000415306416 208484646 /nfs/dbraw/zinc/48/46/46/208484646.db2.gz WPRABULPZIUEKP-SNVBAGLBSA-N 1 0 336.348 0.752 20 5 ECBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000429775295 210333560 /nfs/dbraw/zinc/33/35/60/210333560.db2.gz PKLMHZMDNFQSHZ-CFVMTHIKSA-N 1 0 337.376 0.839 20 5 ECBDRO C[NH2+]C[C@@H]1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000429458131 210318609 /nfs/dbraw/zinc/31/86/09/210318609.db2.gz VWWGWMDPORZBFT-NSHDSACASA-N 1 0 335.360 0.976 20 5 ECBDRO C[C@@H]1CN(C(=O)CN2c3cc([N+](=O)[O-])ccc3OCC2=O)CC[C@H]1[NH3+] ZINC000429189548 210305272 /nfs/dbraw/zinc/30/52/72/210305272.db2.gz QLELPLWLRZOFAU-ZYHUDNBSSA-N 1 0 348.359 0.516 20 5 ECBDRO [NH3+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000429076199 210296215 /nfs/dbraw/zinc/29/62/15/210296215.db2.gz MJLXAJGUCHPDQG-GHMZBOCLSA-N 1 0 336.348 0.600 20 5 ECBDRO Cn1c(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000428637151 210275557 /nfs/dbraw/zinc/27/55/57/210275557.db2.gz MLJQZIZSNLRIPS-LBPRGKRZSA-N 1 0 349.391 0.217 20 5 ECBDRO O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419044648 208959881 /nfs/dbraw/zinc/95/98/81/208959881.db2.gz ULRNUIFTSDNJJM-UONOGXRCSA-N 1 0 346.387 0.321 20 5 ECBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000419268920 209046609 /nfs/dbraw/zinc/04/66/09/209046609.db2.gz LFRNOKKIEOULIO-NWDGAFQWSA-N 1 0 334.376 0.901 20 5 ECBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000419271633 209047023 /nfs/dbraw/zinc/04/70/23/209047023.db2.gz OQYCAPJOQWXQOI-RYUDHWBXSA-N 1 0 334.376 0.888 20 5 ECBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000419281822 209050150 /nfs/dbraw/zinc/05/01/50/209050150.db2.gz XZFGUWDHPJBKBV-LBPRGKRZSA-N 1 0 334.376 0.902 20 5 ECBDRO [NH3+]CCCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000237902811 165100519 /nfs/dbraw/zinc/10/05/19/165100519.db2.gz AAPKRNWULVTWQU-UHFFFAOYSA-N 1 0 326.378 0.680 20 5 ECBDRO COCCOC[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247352808 165161219 /nfs/dbraw/zinc/16/12/19/165161219.db2.gz GVBKDXHJAPWAFF-TZMCWYRMSA-N 1 0 328.369 0.137 20 5 ECBDRO Cc1c(C(=O)NC[C@H]([NH3+])C2CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000261983884 165272883 /nfs/dbraw/zinc/27/28/83/165272883.db2.gz WTIPBWADVRAULQ-NSHDSACASA-N 1 0 342.377 0.018 20 5 ECBDRO COC[C@@]1(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000262357389 165337166 /nfs/dbraw/zinc/33/71/66/165337166.db2.gz VEPYFQDLURRYLP-AWEZNQCLSA-N 1 0 343.405 0.783 20 5 ECBDRO CS(=O)(=O)c1ccc(NCCNC(=O)CCC[NH3+])c([N+](=O)[O-])c1 ZINC000262448744 165351533 /nfs/dbraw/zinc/35/15/33/165351533.db2.gz QQYIEWBMDMOVER-UHFFFAOYSA-N 1 0 344.393 0.265 20 5 ECBDRO CN(C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[C@H]1CC[NH2+]C1 ZINC000262576073 165364311 /nfs/dbraw/zinc/36/43/11/165364311.db2.gz JCRIWXWQJKFDOH-NSHDSACASA-N 1 0 334.332 0.141 20 5 ECBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCO[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000262580336 165364372 /nfs/dbraw/zinc/36/43/72/165364372.db2.gz YVCPWLZQPFOAJE-SECBINFHSA-N 1 0 349.796 0.905 20 5 ECBDRO CCOC(=O)c1cc(S(=O)(=O)NCC[NH3+])cc([N+](=O)[O-])c1C ZINC000262725903 165378037 /nfs/dbraw/zinc/37/80/37/165378037.db2.gz AAZBKDIQOSANQM-UHFFFAOYSA-N 1 0 331.350 0.317 20 5 ECBDRO COc1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000262786167 165387396 /nfs/dbraw/zinc/38/73/96/165387396.db2.gz QIJDWMDINOVYBE-GXSJLCMTSA-N 1 0 329.378 0.880 20 5 ECBDRO O=C1CCCN1C[C@@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331427424 296929921 /nfs/dbraw/zinc/92/99/21/296929921.db2.gz SBZGODYLHBIISZ-ZDUSSCGKSA-N 1 0 337.380 0.412 20 5 ECBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000237550371 263173997 /nfs/dbraw/zinc/17/39/97/263173997.db2.gz VYLNQDKALZIWKA-NEPJUHHUSA-N 1 0 334.376 0.910 20 5 ECBDRO C[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1n1ccnc1 ZINC000269692044 263197568 /nfs/dbraw/zinc/19/75/68/263197568.db2.gz ILKISNMCIPXVRX-SNPRPXQTSA-N 1 0 334.380 0.932 20 5 ECBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000270447344 263243261 /nfs/dbraw/zinc/24/32/61/263243261.db2.gz SWFWXLOEEIEDBH-AWEZNQCLSA-N 1 0 345.403 0.981 20 5 ECBDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000270843455 263278520 /nfs/dbraw/zinc/27/85/20/263278520.db2.gz WDKZPQCAOYVPJU-TXEJJXNPSA-N 1 0 339.396 0.948 20 5 ECBDRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000271002917 263292319 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C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000184971077 437419736 /nfs/dbraw/zinc/41/97/36/437419736.db2.gz JVKQURBVRUPDCT-FATJJJSSSA-N 1 0 346.387 0.909 20 5 ECBDRO C[NH+](C)CCn1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000354132322 437537098 /nfs/dbraw/zinc/53/70/98/437537098.db2.gz RNQRPAAHGFYNCQ-UHFFFAOYSA-N 1 0 333.348 1.370 20 5 ECBDRO C[C@@H]1C[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])nn2C)C[C@@H](C)O1 ZINC000360734841 437639614 /nfs/dbraw/zinc/63/96/14/437639614.db2.gz FKAGKFLZGRBTHW-VXGBXAGGSA-N 1 0 339.396 0.948 20 5 ECBDRO Cc1cc(N2CCC(O)(C[NH+]3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000370677760 437819015 /nfs/dbraw/zinc/81/90/15/437819015.db2.gz POEXNPYXBSATFG-UHFFFAOYSA-N 1 0 336.392 0.962 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)ccc1[N+](=O)[O-] ZINC000423740107 437820672 /nfs/dbraw/zinc/82/06/72/437820672.db2.gz RRWLUKINSSZZDJ-OCCSQVGLSA-N 1 0 332.360 0.453 20 5 ECBDRO CN1CCC[C@]2(CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)C1=O 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ICGOPFLJIMCCMX-LLVKDONJSA-N 1 0 336.396 0.527 20 5 ECBDRO COC(=O)c1cn([C@H]2CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)nn1 ZINC000371993425 438021253 /nfs/dbraw/zinc/02/12/53/438021253.db2.gz QWNYCRKVRIFMOK-NSHDSACASA-N 1 0 349.351 0.507 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CCN(C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000348274438 438038283 /nfs/dbraw/zinc/03/82/83/438038283.db2.gz BLTBVJZGJFCJBL-SNVBAGLBSA-N 1 0 329.378 0.928 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCN3CCOC[C@H]3C2)c1 ZINC000348759251 438093253 /nfs/dbraw/zinc/09/32/53/438093253.db2.gz AFWIOZALZVYESV-CABCVRRESA-N 1 0 337.376 0.351 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000372910372 438118925 /nfs/dbraw/zinc/11/89/25/438118925.db2.gz IUFAEHDJSCDUMZ-ZOWXZIJZSA-N 1 0 346.387 0.924 20 5 ECBDRO O=C(CC[N@@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000366759640 438121690 /nfs/dbraw/zinc/12/16/90/438121690.db2.gz RASIDOGIYZYLIW-TZMCWYRMSA-N 1 0 348.359 0.513 20 5 ECBDRO CCOc1cc(N2CCN(C(=O)NCC[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000418291800 438124962 /nfs/dbraw/zinc/12/49/62/438124962.db2.gz CAHSBNOWGIMLKZ-UHFFFAOYSA-N 1 0 337.380 0.784 20 5 ECBDRO COc1cc(CN2CC[C@@H]3OCC(=O)N[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000366805379 438131643 /nfs/dbraw/zinc/13/16/43/438131643.db2.gz UURVFJLNBNISRA-AAEUAGOBSA-N 1 0 339.323 0.832 20 5 ECBDRO [NH3+]C[C@@H](NC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)C1CC1 ZINC000418397064 438141533 /nfs/dbraw/zinc/14/15/33/438141533.db2.gz ISEAWQZVWITBQB-GFCCVEGCSA-N 1 0 334.380 0.559 20 5 ECBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418695847 438176078 /nfs/dbraw/zinc/17/60/78/438176078.db2.gz JZITVPZLHJSEQI-NEPJUHHUSA-N 1 0 349.391 0.798 20 5 ECBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000418786781 438188141 /nfs/dbraw/zinc/18/81/41/438188141.db2.gz JJLBUAPHWPCETN-STQMWFEESA-N 1 0 348.407 0.949 20 5 ECBDRO C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000418792154 438189968 /nfs/dbraw/zinc/18/99/68/438189968.db2.gz ZLLBNZLSNSFRDK-GRYCIOLGSA-N 1 0 334.376 0.981 20 5 ECBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000418861825 438222581 /nfs/dbraw/zinc/22/25/81/438222581.db2.gz FIRBEIZURUJERE-FZMZJTMJSA-N 1 0 334.376 0.510 20 5 ECBDRO C[NH+]1CCN(C[C@@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000367623966 438229641 /nfs/dbraw/zinc/22/96/41/438229641.db2.gz SGQFMROMHPJTCE-OAHLLOKOSA-N 1 0 336.440 0.751 20 5 ECBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000418875805 438230625 /nfs/dbraw/zinc/23/06/25/438230625.db2.gz XNRYULJGUIZCRI-JSGCOSHPSA-N 1 0 334.376 0.497 20 5 ECBDRO Cn1cc(C(=O)N2CCO[C@@H](C[NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000358511053 438241255 /nfs/dbraw/zinc/24/12/55/438241255.db2.gz CQPHKAIQGMZJQR-ZDUSSCGKSA-N 1 0 345.359 0.795 20 5 ECBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000418925309 438251379 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331.394 0.726 20 5 ECBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCCO[C@H](C[NH3+])C2)c1 ZINC000420467517 438411159 /nfs/dbraw/zinc/41/11/59/438411159.db2.gz DEMJQLOUVMSZNL-GFCCVEGCSA-N 1 0 343.405 0.950 20 5 ECBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405421337 438471041 /nfs/dbraw/zinc/47/10/41/438471041.db2.gz XSNWCOJYMDDNFO-NWDGAFQWSA-N 1 0 335.360 0.885 20 5 ECBDRO NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000369825212 438520478 /nfs/dbraw/zinc/52/04/78/438520478.db2.gz GZQLCMGGWXBAAX-PYJNHQTQSA-N 1 0 337.380 0.271 20 5 ECBDRO [NH3+][C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000422693970 438600694 /nfs/dbraw/zinc/60/06/94/438600694.db2.gz SDEVNNRUULWHFT-LBPRGKRZSA-N 1 0 334.376 0.995 20 5 ECBDRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000423100502 438637235 /nfs/dbraw/zinc/63/72/35/438637235.db2.gz MWPGAEHJBRFWSI-TXEJJXNPSA-N 1 0 334.376 0.762 20 5 ECBDRO C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000423109229 438637458 /nfs/dbraw/zinc/63/74/58/438637458.db2.gz UOWGUNUVZOKQAD-OCCSQVGLSA-N 1 0 348.403 0.997 20 5 ECBDRO O=C(NC[C@@H](O)C[NH+]1CCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000442558221 438609690 /nfs/dbraw/zinc/60/96/90/438609690.db2.gz ROCJTUGKRLZUAE-CYBMUJFWSA-N 1 0 336.348 0.106 20 5 ECBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCC[N@H+]1CCO ZINC000452393347 438660777 /nfs/dbraw/zinc/66/07/77/438660777.db2.gz SJCWQDRMDKNJTH-CQSZACIVSA-N 1 0 337.376 0.937 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000423475150 438681067 /nfs/dbraw/zinc/68/10/67/438681067.db2.gz RQBCFPPHRUDGEF-RYUDHWBXSA-N 1 0 334.376 0.829 20 5 ECBDRO C[C@@H]1CN(C(=O)C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000423580864 438691548 /nfs/dbraw/zinc/69/15/48/438691548.db2.gz AARHHYWUGLBSKU-RISCZKNCSA-N 1 0 334.376 0.401 20 5 ECBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@H+](C)C[C@@H](C(=O)OC)C1 ZINC000413495671 438694019 /nfs/dbraw/zinc/69/40/19/438694019.db2.gz JBOQNKBCJZALOF-LLVKDONJSA-N 1 0 325.369 0.661 20 5 ECBDRO COc1ccc(NC(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000453919946 438700689 /nfs/dbraw/zinc/70/06/89/438700689.db2.gz QNCGDTLBDHUZGT-GXFFZTMASA-N 1 0 348.359 0.704 20 5 ECBDRO C[C@@H]1CN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC[C@H]1[NH3+] ZINC000423302685 438657686 /nfs/dbraw/zinc/65/76/86/438657686.db2.gz HXBPWJCMNYGXGQ-IAQYHMDHSA-N 1 0 346.387 0.675 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000456211130 438762880 /nfs/dbraw/zinc/76/28/80/438762880.db2.gz NJVCVEFQPFIDRS-TXEJJXNPSA-N 1 0 339.396 0.403 20 5 ECBDRO [NH3+][C@H]1C[C@@H]2CN(C(=O)NCCc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000576600186 438789773 /nfs/dbraw/zinc/78/97/73/438789773.db2.gz UMQUJBVMLLTIRP-OLZOCXBDSA-N 1 0 347.375 0.091 20 5 ECBDRO CC(C)C[NH2+]C1(CO)CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000595512181 438812607 /nfs/dbraw/zinc/81/26/07/438812607.db2.gz QTGZSAGAHVDFRX-UHFFFAOYSA-N 1 0 325.413 0.864 20 5 ECBDRO Cc1nn(C)c(NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)c1[N+](=O)[O-] ZINC000601176992 438827993 /nfs/dbraw/zinc/82/79/93/438827993.db2.gz OYGRKZOFUYYHNW-LBPRGKRZSA-N 1 0 336.396 0.744 20 5 ECBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)c([N+](=O)[O-])c1 ZINC000595608754 438834097 /nfs/dbraw/zinc/83/40/97/438834097.db2.gz VMLJKNSKPQPWRZ-NSHDSACASA-N 1 0 330.348 0.807 20 5 ECBDRO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000561316774 438843751 /nfs/dbraw/zinc/84/37/51/438843751.db2.gz XWGJRNCGLSUTMJ-LLVKDONJSA-N 1 0 336.396 0.328 20 5 ECBDRO C[NH+](C)C1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596079814 438922296 /nfs/dbraw/zinc/92/22/96/438922296.db2.gz ZCZFCRCHNZXBSB-UHFFFAOYSA-N 1 0 328.394 0.773 20 5 ECBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCOC2(C[NH2+]C2)C1 ZINC000596099585 438923962 /nfs/dbraw/zinc/92/39/62/438923962.db2.gz SMZRMRSRHFJEAU-UHFFFAOYSA-N 1 0 344.327 0.663 20 5 ECBDRO O=C(N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1(N2CCOCC2)CC1 ZINC000601541008 438929466 /nfs/dbraw/zinc/92/94/66/438929466.db2.gz VQFBUMSXFCDWAG-UHFFFAOYSA-N 1 0 349.391 0.820 20 5 ECBDRO NS(=O)(=O)c1ccc(N2CC[C@H]([NH+]3CC=CC3)C2)cc1[N+](=O)[O-] ZINC000596139125 438931089 /nfs/dbraw/zinc/93/10/89/438931089.db2.gz BPGCXLFDBNOZNB-LBPRGKRZSA-N 1 0 338.389 0.693 20 5 ECBDRO CN(C)C(=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596159776 438934812 /nfs/dbraw/zinc/93/48/12/438934812.db2.gz JPVULRYFVUFKOL-UHFFFAOYSA-N 1 0 349.391 0.294 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CC3CCC2(C[NH3+])CC3)c([N+](=O)[O-])n1 ZINC000578668547 438945085 /nfs/dbraw/zinc/94/50/85/438945085.db2.gz GUVBNENWNCHRBG-UHFFFAOYSA-N 1 0 343.409 0.703 20 5 ECBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000578739753 438950275 /nfs/dbraw/zinc/95/02/75/438950275.db2.gz MBAJKHXMSIFGEX-DOMZBBRYSA-N 1 0 349.391 0.310 20 5 ECBDRO C[N@H+](C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000578803979 438955447 /nfs/dbraw/zinc/95/54/47/438955447.db2.gz FBZZTVJUIFGVTG-HNNXBMFYSA-N 1 0 335.408 0.567 20 5 ECBDRO CN(C)C(=O)CN(CC[NH+](C)C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596462655 438965689 /nfs/dbraw/zinc/96/56/89/438965689.db2.gz NILISSPPGFDUTG-UHFFFAOYSA-N 1 0 337.380 0.150 20 5 ECBDRO C[N@@H+]1CC[C@@H](CC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602059437 439005512 /nfs/dbraw/zinc/00/55/12/439005512.db2.gz ZMDIISPLYGPRQN-ZDUSSCGKSA-N 1 0 333.392 0.980 20 5 ECBDRO NC(=O)c1ccc(SCC(=O)NCC[NH2+]C2CC2)c([N+](=O)[O-])c1 ZINC000591679141 439061179 /nfs/dbraw/zinc/06/11/79/439061179.db2.gz BDAZCMGZVRWWLH-UHFFFAOYSA-N 1 0 338.389 0.654 20 5 ECBDRO CS(=O)(=O)CCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000579463137 439011248 /nfs/dbraw/zinc/01/12/48/439011248.db2.gz FMBHYZQPRWHGTQ-UHFFFAOYSA-N 1 0 329.378 0.948 20 5 ECBDRO NS(=O)(=O)c1ccc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)c([N+](=O)[O-])c1 ZINC000591438110 439015085 /nfs/dbraw/zinc/01/50/85/439015085.db2.gz LAHZAUSCRCRPFE-GXSJLCMTSA-N 1 0 326.378 0.430 20 5 ECBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CN1c2cc([N+](=O)[O-])ccc2OCC1=O ZINC000580656058 439114981 /nfs/dbraw/zinc/11/49/81/439114981.db2.gz HWRGGBKTLQZFRQ-GHMZBOCLSA-N 1 0 348.359 0.658 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CCN(CC(F)F)CC2)c1 ZINC000591728797 439077219 /nfs/dbraw/zinc/07/72/19/439077219.db2.gz NUWBFAKKLDZODX-GFCCVEGCSA-N 1 0 333.339 0.471 20 5 ECBDRO C[S@@](=O)c1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000591749931 439080629 /nfs/dbraw/zinc/08/06/29/439080629.db2.gz PFWCWCKRGSZMSK-ZAMGYDSWSA-N 1 0 338.389 0.679 20 5 ECBDRO CCN(C)C(=O)[C@@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591763457 439082154 /nfs/dbraw/zinc/08/21/54/439082154.db2.gz HNIMSOAYBWIYSN-YPMHNXCESA-N 1 0 325.365 0.791 20 5 ECBDRO COC(=O)CC[N@@H+]1CCN(Cc2cn(C)nc2[N+](=O)[O-])[C@H](C)C1 ZINC000602804541 439137512 /nfs/dbraw/zinc/13/75/12/439137512.db2.gz JHNYSRPOTMYMGO-LLVKDONJSA-N 1 0 325.369 0.398 20 5 ECBDRO O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000580894535 439144619 /nfs/dbraw/zinc/14/46/19/439144619.db2.gz OZNFEPMPVKSNLW-RISCZKNCSA-N 1 0 335.364 0.300 20 5 ECBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000597652387 439150937 /nfs/dbraw/zinc/15/09/37/439150937.db2.gz AOSPYJYZBDEPRL-NSHDSACASA-N 1 0 333.348 0.637 20 5 ECBDRO COC1([C@@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCOCC1 ZINC000567693056 439166069 /nfs/dbraw/zinc/16/60/69/439166069.db2.gz JOMKIQDPXALHEF-DGCLKSJQSA-N 1 0 328.369 0.326 20 5 ECBDRO O=[N+]([O-])c1cc2c(cc1CN1CC[C@H](N3CC[NH2+]CC3)C1)OCCO2 ZINC000592434550 439226566 /nfs/dbraw/zinc/22/65/66/439226566.db2.gz LHXKOIXBHYHVCQ-AWEZNQCLSA-N 1 0 348.403 0.846 20 5 ECBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000592245941 439189647 /nfs/dbraw/zinc/18/96/47/439189647.db2.gz KFIKCKYJWSZTLR-SWLSCSKDSA-N 1 0 346.387 0.925 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)NC[C@@H]2CCCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000592293203 439194944 /nfs/dbraw/zinc/19/49/44/439194944.db2.gz WBVDVARDXMYGLL-ZDUSSCGKSA-N 1 0 334.376 0.891 20 5 ECBDRO CCOC(=O)c1cc(S(=O)(=O)NC2C[NH2+]C2)cc([N+](=O)[O-])c1C ZINC000581369274 439203203 /nfs/dbraw/zinc/20/32/03/439203203.db2.gz PNYUUYXXZYEQOQ-UHFFFAOYSA-N 1 0 343.361 0.330 20 5 ECBDRO CN(C(=O)Cn1cc(CC[NH+](C)C)nn1)c1ccc([N+](=O)[O-])cc1 ZINC000603189773 439206143 /nfs/dbraw/zinc/20/61/43/439206143.db2.gz MBKIKLJUNUUUCJ-UHFFFAOYSA-N 1 0 332.364 0.953 20 5 ECBDRO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1[nH]ncc1[N+](=O)[O-] ZINC000597993159 439209275 /nfs/dbraw/zinc/20/92/75/439209275.db2.gz ZSZMIDFDMRTQSO-ZDUSSCGKSA-N 1 0 345.359 0.815 20 5 ECBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000525694554 439214019 /nfs/dbraw/zinc/21/40/19/439214019.db2.gz HRVAQBPWWGOZEE-NSHDSACASA-N 1 0 328.394 0.952 20 5 ECBDRO CCOC(=O)c1cc(S(=O)(=O)NC[C@@H](C)[NH3+])cc([N+](=O)[O-])c1C ZINC000592383045 439216043 /nfs/dbraw/zinc/21/60/43/439216043.db2.gz BGBGVIBZOFHJOH-MRVPVSSYSA-N 1 0 345.377 0.705 20 5 ECBDRO COC(=O)c1ccnc(N2CCN(CC(C)(C)O)CC2)c1[N+](=O)[O-] ZINC000598593129 439282533 /nfs/dbraw/zinc/28/25/33/439282533.db2.gz QNLNSTZLJIQNEV-UHFFFAOYSA-N 1 0 338.364 0.669 20 5 ECBDRO COCC[N@H+](C)CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598594130 439283015 /nfs/dbraw/zinc/28/30/15/439283015.db2.gz ZODCRQNOZJXOMH-UHFFFAOYSA-N 1 0 340.384 0.212 20 5 ECBDRO C[C@H]([NH3+])[C@H]1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592475948 439236594 /nfs/dbraw/zinc/23/65/94/439236594.db2.gz WZEZDGIDGOAKFU-SMDDNHRTSA-N 1 0 343.405 0.417 20 5 ECBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000598184587 439238759 /nfs/dbraw/zinc/23/87/59/439238759.db2.gz FARSBASRWRBMQU-UHFFFAOYSA-N 1 0 337.380 0.390 20 5 ECBDRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000592549397 439250802 /nfs/dbraw/zinc/25/08/02/439250802.db2.gz BUGSTZCIGBQLAG-GFCCVEGCSA-N 1 0 337.332 0.581 20 5 ECBDRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000592555988 439253654 /nfs/dbraw/zinc/25/36/54/439253654.db2.gz ZEXREPXNGJFMNF-LBPRGKRZSA-N 1 0 347.331 0.448 20 5 ECBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000568517092 439255021 /nfs/dbraw/zinc/25/50/21/439255021.db2.gz YTAWRIQXPKTPLH-CYBMUJFWSA-N 1 0 342.421 0.475 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCN2CCc3ccccc3C2)c1 ZINC000582279876 439312205 /nfs/dbraw/zinc/31/22/05/439312205.db2.gz QZQGYMQWCAATDJ-QGZVFWFLSA-N 1 0 345.403 0.800 20 5 ECBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)NCc3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000569215984 439314256 /nfs/dbraw/zinc/31/42/56/439314256.db2.gz JJJZPLKIRVPMMA-IACUBPJLSA-N 1 0 332.360 0.407 20 5 ECBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598901626 439323150 /nfs/dbraw/zinc/32/31/50/439323150.db2.gz AWILILAIWNMGCT-FZMZJTMJSA-N 1 0 347.375 0.879 20 5 ECBDRO C[N@@H+]1CC[C@@H]2CN(c3ncnc(N4CCOCC4)c3[N+](=O)[O-])C[C@@H]21 ZINC000598632447 439292751 /nfs/dbraw/zinc/29/27/51/439292751.db2.gz CYBDSMWRHHPTJZ-NEPJUHHUSA-N 1 0 334.380 0.362 20 5 ECBDRO CN(C[C@H]1CCC[N@@H+]1C)c1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598630294 439292852 /nfs/dbraw/zinc/29/28/52/439292852.db2.gz GSKRWQIUUZYYCU-GFCCVEGCSA-N 1 0 336.396 0.752 20 5 ECBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000592875454 439295161 /nfs/dbraw/zinc/29/51/61/439295161.db2.gz YVVYILWWPXFVPL-LBPRGKRZSA-N 1 0 334.376 0.716 20 5 ECBDRO C[NH2+]C[C@@H]1CCCN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598664193 439298082 /nfs/dbraw/zinc/29/80/82/439298082.db2.gz JEECHAHDMMXGSJ-ZDUSSCGKSA-N 1 0 335.364 0.927 20 5 ECBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598665887 439299707 /nfs/dbraw/zinc/29/97/07/439299707.db2.gz RXSXUEYCWNSCAB-ZWNOBZJWSA-N 1 0 335.364 0.831 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]2)n1 ZINC000599106381 439358977 /nfs/dbraw/zinc/35/89/77/439358977.db2.gz FZBRJOMPUHLEEG-GHMZBOCLSA-N 1 0 343.409 0.624 20 5 ECBDRO Cc1c(NC(=O)CC[NH2+][C@]2(C(N)=O)CCOC2)cccc1[N+](=O)[O-] ZINC000569619269 439351091 /nfs/dbraw/zinc/35/10/91/439351091.db2.gz QDFZHWRKXCNLID-OAHLLOKOSA-N 1 0 336.348 0.466 20 5 ECBDRO C[C@H]([NH3+])c1ccc(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000599096969 439354817 /nfs/dbraw/zinc/35/48/17/439354817.db2.gz CVEISJAMMUIRRY-VIFPVBQESA-N 1 0 339.377 0.827 20 5 ECBDRO C[NH+](C)CCN1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1=O ZINC000593330919 439367550 /nfs/dbraw/zinc/36/75/50/439367550.db2.gz NRLGMEAGRWPTOD-UHFFFAOYSA-N 1 0 349.391 0.510 20 5 ECBDRO CN1C[C@@H]([NH2+][C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CCC1=O ZINC000582733731 439373516 /nfs/dbraw/zinc/37/35/16/439373516.db2.gz LSYUIHOEKFZTGA-GXFFZTMASA-N 1 0 346.343 0.437 20 5 ECBDRO CC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000570198321 439399836 /nfs/dbraw/zinc/39/98/36/439399836.db2.gz UKHVEFKWOMUQQS-ZDUSSCGKSA-N 1 0 346.387 0.690 20 5 ECBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593550999 439400835 /nfs/dbraw/zinc/40/08/35/439400835.db2.gz PPEHDDXPUVNZTM-JQWIXIFHSA-N 1 0 328.394 0.951 20 5 ECBDRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599252660 439402015 /nfs/dbraw/zinc/40/20/15/439402015.db2.gz WRBSFTUOVUSODX-JTQLQIEISA-N 1 0 331.398 0.481 20 5 ECBDRO CNC(=O)c1ccc(N2CCN(CC[NH+](C)C)C(=O)C2)c([N+](=O)[O-])c1 ZINC000593486444 439387285 /nfs/dbraw/zinc/38/72/85/439387285.db2.gz XQWWNKQLSOPJJT-UHFFFAOYSA-N 1 0 349.391 0.165 20 5 ECBDRO C[NH+](C)CCN1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1=O ZINC000593485988 439387606 /nfs/dbraw/zinc/38/76/06/439387606.db2.gz FIBXTWKRVBZGSX-UHFFFAOYSA-N 1 0 338.393 0.514 20 5 ECBDRO C[NH+](C)CCN1CCN(c2ccc([N+](=O)[O-])c(N)c2F)CC1=O ZINC000593486054 439387877 /nfs/dbraw/zinc/38/78/77/439387877.db2.gz IJHDYHBRADRNAS-UHFFFAOYSA-N 1 0 325.344 0.526 20 5 ECBDRO NC(=O)c1ccc(CN2C[C@H](C[NH3+])C3(C2)CCOCC3)c([N+](=O)[O-])c1 ZINC000583145289 439426339 /nfs/dbraw/zinc/42/63/39/439426339.db2.gz IDURKWLTGUIYDC-AWEZNQCLSA-N 1 0 348.403 0.881 20 5 ECBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599305666 439426464 /nfs/dbraw/zinc/42/64/64/439426464.db2.gz AXBUPZNFIPNTAO-GHMZBOCLSA-N 1 0 343.409 0.576 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)n1 ZINC000599338447 439440522 /nfs/dbraw/zinc/44/05/22/439440522.db2.gz RSCMIZMVZHMUHR-SNVBAGLBSA-N 1 0 345.425 0.727 20 5 ECBDRO C[NH+](C)CCN1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1=O ZINC000593784113 439465880 /nfs/dbraw/zinc/46/58/80/439465880.db2.gz IZAPBNDMJACVIK-UHFFFAOYSA-N 1 0 335.364 0.023 20 5 ECBDRO Cc1c(CNC(=O)C(=O)NCCC2(C[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000593777313 439465965 /nfs/dbraw/zinc/46/59/65/439465965.db2.gz LMPWISBPRHDKKX-UHFFFAOYSA-N 1 0 334.376 0.765 20 5 ECBDRO O=C(COc1cccc([N+](=O)[O-])c1)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000571044973 439469653 /nfs/dbraw/zinc/46/96/53/439469653.db2.gz QCWVZDHWSOXFBH-UHFFFAOYSA-N 1 0 347.335 0.140 20 5 ECBDRO CCc1nncn1CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000583495273 439470139 /nfs/dbraw/zinc/47/01/39/439470139.db2.gz XMUXJTMANGBRQN-LBPRGKRZSA-N 1 0 335.364 0.778 20 5 ECBDRO CN1CCC[C@@H]([NH2+][C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000593921155 439495761 /nfs/dbraw/zinc/49/57/61/439495761.db2.gz PWVICHPXKDHBRN-BXUZGUMPSA-N 1 0 332.360 0.911 20 5 ECBDRO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000593924484 439496769 /nfs/dbraw/zinc/49/67/69/439496769.db2.gz IIDMETKMXFNCHH-ZBEGNZNMSA-N 1 0 343.343 1.159 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000593930408 439497907 /nfs/dbraw/zinc/49/79/07/439497907.db2.gz HNSBYYCCFUIFRR-WCQYABFASA-N 1 0 334.376 0.971 20 5 ECBDRO C[NH2+]C1CCN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000583870564 439521573 /nfs/dbraw/zinc/52/15/73/439521573.db2.gz ANASYBAROIQLNT-UHFFFAOYSA-N 1 0 334.376 0.843 20 5 ECBDRO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599645057 439527393 /nfs/dbraw/zinc/52/73/93/439527393.db2.gz OJBVXYNUYURLMO-BJHJDKERSA-N 1 0 332.360 0.680 20 5 ECBDRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000599695894 439538851 /nfs/dbraw/zinc/53/88/51/439538851.db2.gz YRZGXSCUJBSCPE-LLVKDONJSA-N 1 0 331.398 0.053 20 5 ECBDRO C[NH+](C)C1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000609138419 439552946 /nfs/dbraw/zinc/55/29/46/439552946.db2.gz OUFIEBSGEJLAON-UHFFFAOYSA-N 1 0 328.394 0.773 20 5 ECBDRO Cc1ccc(NC(=O)C(=O)NCC2([NH3+])CCOCC2)cc1[N+](=O)[O-] ZINC000599887241 439568778 /nfs/dbraw/zinc/56/87/78/439568778.db2.gz COTZWKXOAHVBEV-UHFFFAOYSA-N 1 0 336.348 0.466 20 5 ECBDRO C[NH+](C)CC(=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000584258235 439570193 /nfs/dbraw/zinc/57/01/93/439570193.db2.gz HEOONUOHSLADFW-UHFFFAOYSA-N 1 0 332.364 1.018 20 5 ECBDRO CCc1ccc(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000584302981 439574964 /nfs/dbraw/zinc/57/49/64/439574964.db2.gz UITTWRHONBOWCQ-CHWSQXEVSA-N 1 0 332.360 0.541 20 5 ECBDRO Cn1c(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000609571821 439577522 /nfs/dbraw/zinc/57/75/22/439577522.db2.gz LTWQJDZEODCCCT-LBPRGKRZSA-N 1 0 335.408 0.832 20 5 ECBDRO Cn1c(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000609571820 439578364 /nfs/dbraw/zinc/57/83/64/439578364.db2.gz LTWQJDZEODCCCT-GFCCVEGCSA-N 1 0 335.408 0.832 20 5 ECBDRO O=C(NC[C@@H]1COCC[NH2+]1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000599940419 439580160 /nfs/dbraw/zinc/58/01/60/439580160.db2.gz POIYLXUWQWPYBK-LLVKDONJSA-N 1 0 338.368 0.126 20 5 ECBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]Cc1cn[nH]c1 ZINC000609741576 439586580 /nfs/dbraw/zinc/58/65/80/439586580.db2.gz RMWQWEVDMDHRTN-UHFFFAOYSA-N 1 0 325.350 0.386 20 5 ECBDRO CNc1nccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c1[N+](=O)[O-] ZINC000572496257 439586812 /nfs/dbraw/zinc/58/68/12/439586812.db2.gz GUCYTJKHHUFVQB-NSHDSACASA-N 1 0 337.380 0.608 20 5 ECBDRO CS[C@@H]1CN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000594768024 439606917 /nfs/dbraw/zinc/60/69/17/439606917.db2.gz ZLXOXBFKCLOQTQ-WDEREUQCSA-N 1 0 346.434 0.656 20 5 ECBDRO COc1ccc(OCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000610335718 439610867 /nfs/dbraw/zinc/61/08/67/439610867.db2.gz FDJJZKIKGJQINV-ZDUSSCGKSA-N 1 0 336.348 0.829 20 5 ECBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000584767954 439614415 /nfs/dbraw/zinc/61/44/15/439614415.db2.gz JJQSCYFEXZEELA-UHFFFAOYSA-N 1 0 335.364 0.765 20 5 ECBDRO Cc1cc(S(=O)(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c(C)cc1[N+](=O)[O-] ZINC000595108698 439654529 /nfs/dbraw/zinc/65/45/29/439654529.db2.gz OOBWGICBTNAHTG-YPMHNXCESA-N 1 0 343.405 0.948 20 5 ECBDRO Cc1cc(S(=O)(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)c(C)cc1[N+](=O)[O-] ZINC000595108695 439655029 /nfs/dbraw/zinc/65/50/29/439655029.db2.gz OOBWGICBTNAHTG-DGCLKSJQSA-N 1 0 343.405 0.948 20 5 ECBDRO CN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000586779741 439661463 /nfs/dbraw/zinc/66/14/63/439661463.db2.gz PZJUEHYOTLBNRH-GFCCVEGCSA-N 1 0 336.396 0.558 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCc3nnnn3CC2)c1 ZINC000573084159 439627374 /nfs/dbraw/zinc/62/73/74/439627374.db2.gz MZISWWUUSJUHCO-YPMHNXCESA-N 1 0 348.363 0.316 20 5 ECBDRO C[C@H](Cn1cncn1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000573084299 439627595 /nfs/dbraw/zinc/62/75/95/439627595.db2.gz QDJLPEYUCITDIO-LLVKDONJSA-N 1 0 339.377 0.638 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H](O)[C@H]2CCCO2)cc1 ZINC000600752922 439699294 /nfs/dbraw/zinc/69/92/94/439699294.db2.gz DXBMROZTVKGSDY-ZIAGYGMSSA-N 1 0 344.389 0.498 20 5 ECBDRO C[C@@H]1[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCS1(=O)=O ZINC000600757207 439699688 /nfs/dbraw/zinc/69/96/88/439699688.db2.gz QPXVVEYWPWAIEX-SCDSUCTJSA-N 1 0 344.389 0.500 20 5 ECBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000600807467 439704523 /nfs/dbraw/zinc/70/45/23/439704523.db2.gz DZUACLWNMMYPQU-ZDUSSCGKSA-N 1 0 345.359 0.577 20 5 ECBDRO CS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000347338451 321236989 /nfs/dbraw/zinc/23/69/89/321236989.db2.gz MMCJCMSFUWCGNF-SNVBAGLBSA-N 1 0 327.362 0.562 20 5 ECBDRO COc1ccc(C[NH2+]C[C@H]2CS(=O)(=O)CCO2)cc1[N+](=O)[O-] ZINC000350750691 321329255 /nfs/dbraw/zinc/32/92/55/321329255.db2.gz WZOJYPXHYPTRMR-NSHDSACASA-N 1 0 330.362 0.507 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@]2(CO)CCCc3ccccc32)c1 ZINC000374149546 321835043 /nfs/dbraw/zinc/83/50/43/321835043.db2.gz SYPGZCBOZIVKLX-RDJZCZTQSA-N 1 0 346.387 0.966 20 5 ECBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000415412033 321891322 /nfs/dbraw/zinc/89/13/22/321891322.db2.gz HHKJZCINNDTHJJ-JTQLQIEISA-N 1 0 338.364 0.904 20 5 ECBDRO CNS(=O)(=O)[C@@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000555417274 322180589 /nfs/dbraw/zinc/18/05/89/322180589.db2.gz DRQJRSQRRGMVKR-GFCCVEGCSA-N 1 0 329.378 0.814 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000563125853 322299234 /nfs/dbraw/zinc/29/92/34/322299234.db2.gz PCNGPRJNXHPFHQ-BDAKNGLRSA-N 1 0 345.377 0.786 20 5 ECBDRO CC(C)NC(=O)CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566105977 322501814 /nfs/dbraw/zinc/50/18/14/322501814.db2.gz CWRAUQOSRZZSEL-LBPRGKRZSA-N 1 0 325.365 0.839 20 5 ECBDRO O=C1Nc2ccccc2[C@H]1CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000566108108 322501852 /nfs/dbraw/zinc/50/18/52/322501852.db2.gz CODXESGSDIHURV-GXTWGEPZSA-N 1 0 345.359 0.868 20 5 ECBDRO C[C@H](CS(C)(=O)=O)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566118230 322503369 /nfs/dbraw/zinc/50/33/69/322503369.db2.gz YKKRVXYKYIYKJB-GHMZBOCLSA-N 1 0 332.378 0.357 20 5 ECBDRO COC(=O)c1ccc(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000566673251 322547999 /nfs/dbraw/zinc/54/79/99/322547999.db2.gz GCZNYULGETYPLO-HNNXBMFYSA-N 1 0 348.359 0.771 20 5 ECBDRO CC(C)(NC(=O)NCC(=O)N1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000573942502 322770744 /nfs/dbraw/zinc/77/07/44/322770744.db2.gz ZUAUJXRIVZGLND-UHFFFAOYSA-N 1 0 349.391 0.561 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H](CO)c2ccc(F)cc2)c1 ZINC000575749242 322795729 /nfs/dbraw/zinc/79/57/29/322795729.db2.gz OLFHLEGKPLYPOJ-IUODEOHRSA-N 1 0 338.339 0.657 20 5 ECBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000576529007 322809117 /nfs/dbraw/zinc/80/91/17/322809117.db2.gz CTKIRXXKISPKRM-GFCCVEGCSA-N 1 0 341.412 0.735 20 5 ECBDRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000577190747 322828165 /nfs/dbraw/zinc/82/81/65/322828165.db2.gz RAKGXCDUBRSZDB-MRXNPFEDSA-N 1 0 349.343 0.510 20 5 ECBDRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000579589837 322901327 /nfs/dbraw/zinc/90/13/27/322901327.db2.gz RQXVMBHBOBKRPX-ZOWXZIJZSA-N 1 0 337.380 0.440 20 5 ECBDRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000286684640 517961360 /nfs/dbraw/zinc/96/13/60/517961360.db2.gz CNWRMEFJBYKCAM-WCQYABFASA-N 1 0 341.368 0.363 20 5 ECBDRO CC[N@H+](CCO)CCNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000190160828 528553176 /nfs/dbraw/zinc/55/31/76/528553176.db2.gz DRVGZXXYYKJVOX-UHFFFAOYSA-N 1 0 345.421 0.804 20 5 ECBDRO CC(C)(C[NH3+])NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000262550313 535066284 /nfs/dbraw/zinc/06/62/84/535066284.db2.gz QWGCNHAUBQEYGW-UHFFFAOYSA-N 1 0 326.378 0.639 20 5 ECBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000600534204 546297134 /nfs/dbraw/zinc/29/71/34/546297134.db2.gz TZMAYFQKSALBNP-CYBMUJFWSA-N 1 0 345.359 0.577 20 5 ECBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000619254967 546311673 /nfs/dbraw/zinc/31/16/73/546311673.db2.gz RBVIIBVARCJACN-MRXNPFEDSA-N 1 0 336.392 0.922 20 5 ECBDRO CO[C@@H]1CC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000752320371 579383212 /nfs/dbraw/zinc/38/32/12/579383212.db2.gz BIEWOQFXONYWBD-MRXNPFEDSA-N 1 0 348.403 0.964 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](CCO)c2cccs2)c1 ZINC000754381806 579417330 /nfs/dbraw/zinc/41/73/30/579417330.db2.gz LBNMIXKKCOCFMT-RYUDHWBXSA-N 1 0 326.378 0.927 20 5 ECBDRO CC(C)(CO)[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000735671357 578392460 /nfs/dbraw/zinc/39/24/60/578392460.db2.gz VMPJJOZEVOORKM-UHFFFAOYSA-N 1 0 347.379 0.668 20 5 ECBDRO C[C@@H](O)C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@@H]1C ZINC000736149635 578411714 /nfs/dbraw/zinc/41/17/14/578411714.db2.gz VKYIIPLUWVLKKE-VHSXEESVSA-N 1 0 348.367 0.061 20 5 ECBDRO C[N@H+](CCO)C1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736801284 578453406 /nfs/dbraw/zinc/45/34/06/578453406.db2.gz HEWNIPCXVRGAKH-UHFFFAOYSA-N 1 0 347.379 0.668 20 5 ECBDRO COCC[N@@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000737006183 578472384 /nfs/dbraw/zinc/47/23/84/578472384.db2.gz WFDLKLAILWVYRO-SNVBAGLBSA-N 1 0 348.367 0.693 20 5 ECBDRO O=C1NC(=O)[C@]2(CCC[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)N1 ZINC000789380301 578853078 /nfs/dbraw/zinc/85/30/78/578853078.db2.gz XONOQVVWEKDBAE-IUODEOHRSA-N 1 0 334.332 0.302 20 5 ECBDRO O=C(NCCO)C1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776578130 579284565 /nfs/dbraw/zinc/28/45/65/579284565.db2.gz DPKMGVGEQWCVFJ-OAHLLOKOSA-N 1 0 337.376 0.449 20 5 ECBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000762817127 579548940 /nfs/dbraw/zinc/54/89/40/579548940.db2.gz CXCWZBCZECQZRN-CQSZACIVSA-N 1 0 338.320 0.608 20 5 ECBDRO CN(C)S(=O)(=O)c1ccc(NC[C@H](O)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000763322089 579558739 /nfs/dbraw/zinc/55/87/39/579558739.db2.gz JGEDOWHVKFVIDA-JTQLQIEISA-N 1 0 346.409 0.180 20 5 ECBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000842252584 589024310 /nfs/dbraw/zinc/02/43/10/589024310.db2.gz KCFRLNJWQWVKQP-INIZCTEOSA-N 1 0 349.391 0.763 20 5 ECBDRO 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CS(=O)(=O)NC1CC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819295802 587475748 /nfs/dbraw/zinc/47/57/48/587475748.db2.gz SKDUHKHBPBAGSE-XIVSLSHWSA-N 1 0 329.378 0.298 20 5 ECBDRO CC(C)(CO)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000819987835 587500982 /nfs/dbraw/zinc/50/09/82/587500982.db2.gz NSYDVFARAMIFJW-UHFFFAOYSA-N 1 0 348.367 0.063 20 5 ECBDRO CC[C@@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000820907457 587563158 /nfs/dbraw/zinc/56/31/58/587563158.db2.gz CWXLAPCELRNGCC-NSHDSACASA-N 1 0 347.379 0.668 20 5 ECBDRO C[NH+](C)CCn1cc(Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])cn1 ZINC000821587426 587602944 /nfs/dbraw/zinc/60/29/44/587602944.db2.gz WQXUULIXDRHTAW-UHFFFAOYSA-N 1 0 344.339 0.672 20 5 ECBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@H]1C[NH2+]CCCO1 ZINC000825184215 587921746 /nfs/dbraw/zinc/92/17/46/587921746.db2.gz YDZODHFSAWPCHI-LLVKDONJSA-N 1 0 327.312 0.607 20 5 ECBDRO CN(C)c1cc(F)c(C(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000828505810 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COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000262755892 274099561 /nfs/dbraw/zinc/09/95/61/274099561.db2.gz HTZZQSNMJUKBQA-UWVGGRQHSA-N 1 0 329.378 0.974 20 5 ECBDRO C[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+]1CC(C)(C)O ZINC000189925873 437613097 /nfs/dbraw/zinc/61/30/97/437613097.db2.gz RIUXBYHYTFAWNV-ZDUSSCGKSA-N 1 0 338.408 0.534 20 5 ECBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)n1 ZINC000332668181 297064049 /nfs/dbraw/zinc/06/40/49/297064049.db2.gz QAQXXKGXKPXGPZ-KOLCDFICSA-N 1 0 327.410 0.929 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000154388125 295195762 /nfs/dbraw/zinc/19/57/62/295195762.db2.gz CWHBVSIXHAAXTR-AWEZNQCLSA-N 1 0 341.389 0.978 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)c1 ZINC000339762921 297381075 /nfs/dbraw/zinc/38/10/75/297381075.db2.gz BFVQNTZXVPVJGD-ILXRZTDVSA-N 1 0 340.380 0.062 20 5 ECBDRO Nc1c(C(=O)NCC2CC[NH+](CCO)CC2)cc(F)cc1[N+](=O)[O-] 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/nfs/dbraw/zinc/05/69/48/299056948.db2.gz GKCBLAZYTNHVOW-SNVBAGLBSA-N 1 0 340.384 0.140 20 5 ECBDRO CNC(=O)C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000361641688 300112563 /nfs/dbraw/zinc/11/25/63/300112563.db2.gz CZWRZATUFDFOEB-LSDHHAIUSA-N 1 0 347.375 0.619 20 5 ECBDRO O=C1CNCCN1[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000362840160 300226181 /nfs/dbraw/zinc/22/61/81/300226181.db2.gz RTWDLXOZIJKUOX-HNNXBMFYSA-N 1 0 348.403 0.870 20 5 ECBDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000363639011 300282519 /nfs/dbraw/zinc/28/25/19/300282519.db2.gz VBFVGSARVDRAHC-ZDUSSCGKSA-N 1 0 336.396 0.030 20 5 ECBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000367900000 300636992 /nfs/dbraw/zinc/63/69/92/300636992.db2.gz DQSVARWYESEZQZ-TZMCWYRMSA-N 1 0 335.364 0.475 20 5 ECBDRO CNS(=O)(=O)CCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072664987 436050809 /nfs/dbraw/zinc/05/08/09/436050809.db2.gz NPSGAEXTGPCWIY-LLVKDONJSA-N 1 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C[NH+](C)CC(=O)N1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000076946305 436221722 /nfs/dbraw/zinc/22/17/22/436221722.db2.gz BPTRXINFYDIVSN-VOTSOKGWSA-N 1 0 346.387 0.840 20 5 ECBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)/C=C/c3ccc(F)cc3[N+](=O)[O-])CCN2C1=O ZINC000493477798 301537818 /nfs/dbraw/zinc/53/78/18/301537818.db2.gz BGTHSDJMSLUFSU-YLGNMVSYSA-N 1 0 348.334 0.518 20 5 ECBDRO CN(CC(=O)NC[C@@H]1C[N@H+](C)CCN1C)c1ccccc1[N+](=O)[O-] ZINC000080206066 436314974 /nfs/dbraw/zinc/31/49/74/436314974.db2.gz FGQAROHVNLDVMC-CYBMUJFWSA-N 1 0 335.408 0.393 20 5 ECBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000043285593 436330392 /nfs/dbraw/zinc/33/03/92/436330392.db2.gz NHRWQQSWRNOBFO-GFCCVEGCSA-N 1 0 325.369 0.264 20 5 ECBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CN1CCOCC1 ZINC000083245358 436369784 /nfs/dbraw/zinc/36/97/84/436369784.db2.gz HLCWTLFMQMYPOP-OAHLLOKOSA-N 1 0 339.392 0.599 20 5 ECBDRO COCCOC[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090550971 436432697 /nfs/dbraw/zinc/43/26/97/436432697.db2.gz BAOOJKNRBBRBPO-ZDUSSCGKSA-N 1 0 325.365 0.741 20 5 ECBDRO COc1ccc(OCC[NH2+][C@@]2(C(N)=O)CCOC2)c([N+](=O)[O-])c1 ZINC000518790429 301728311 /nfs/dbraw/zinc/72/83/11/301728311.db2.gz FYEREXCFNIZPIJ-AWEZNQCLSA-N 1 0 325.321 0.216 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000106401304 436595125 /nfs/dbraw/zinc/59/51/25/436595125.db2.gz HKCCBZPEYUKHNT-UHFFFAOYSA-N 1 0 325.369 0.015 20 5 ECBDRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000106895619 436605885 /nfs/dbraw/zinc/60/58/85/436605885.db2.gz FIFAMHFEFHECGT-LBPRGKRZSA-N 1 0 342.421 0.509 20 5 ECBDRO C[NH+](C)[C@H]1CCCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000057838800 436617168 /nfs/dbraw/zinc/61/71/68/436617168.db2.gz UUYLMFVIHYBZNK-JTQLQIEISA-N 1 0 328.394 0.773 20 5 ECBDRO CN(CCCn1ccnc1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000532006378 302065244 /nfs/dbraw/zinc/06/52/44/302065244.db2.gz MLQSTIAWWINQOY-UHFFFAOYSA-N 1 0 325.350 0.897 20 5 ECBDRO C[NH+](C)CC(=O)N1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000058858449 436629249 /nfs/dbraw/zinc/62/92/49/436629249.db2.gz GWNRNXXJRPBLHV-UHFFFAOYSA-N 1 0 326.378 0.502 20 5 ECBDRO C[NH+](C)C[C@@H]1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000115163341 436645708 /nfs/dbraw/zinc/64/57/08/436645708.db2.gz GGFKPQCGGZJDHI-LBPRGKRZSA-N 1 0 334.376 0.735 20 5 ECBDRO COc1ccc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000195303085 436688316 /nfs/dbraw/zinc/68/83/16/436688316.db2.gz SWVOAENNNPGXDE-AOOOYVTPSA-N 1 0 327.362 0.443 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[N@H+](C)C1CC1 ZINC000067717792 436722511 /nfs/dbraw/zinc/72/25/11/436722511.db2.gz XDMMCJPFWPLCJO-UHFFFAOYSA-N 1 0 329.378 0.976 20 5 ECBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(S(N)(=O)=O)c1 ZINC000272868245 436722978 /nfs/dbraw/zinc/72/29/78/436722978.db2.gz SBKSHKZFCVPYQA-JTQLQIEISA-N 1 0 339.377 0.790 20 5 ECBDRO CCC[N@H+](C)C[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000245431054 436761849 /nfs/dbraw/zinc/76/18/49/436761849.db2.gz NWDVHAIYFMTKOK-DZGCQCFKSA-N 1 0 325.413 0.816 20 5 ECBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CN2CCCC[C@@H]2CO1 ZINC000128041534 436811616 /nfs/dbraw/zinc/81/16/16/436811616.db2.gz RKSFBHFTBXQWHS-TZMCWYRMSA-N 1 0 337.380 0.551 20 5 ECBDRO C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CN(C)CCO1 ZINC000125982540 436779791 /nfs/dbraw/zinc/77/97/91/436779791.db2.gz UKNIBACXWMFLQM-MFKMUULPSA-N 1 0 329.378 0.592 20 5 ECBDRO CN1CCO[C@@H]2CN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC000154443961 436780241 /nfs/dbraw/zinc/78/02/41/436780241.db2.gz KANYNZLVNCSPKL-JKSUJKDBSA-N 1 0 346.387 0.499 20 5 ECBDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000155340062 436793659 /nfs/dbraw/zinc/79/36/59/436793659.db2.gz ZTABIHRYPJXRDI-ZDUSSCGKSA-N 1 0 332.364 0.475 20 5 ECBDRO CC[N@H+](CCO)CCNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000274444662 436827917 /nfs/dbraw/zinc/82/79/17/436827917.db2.gz VDDSSOJKHSGQIT-UHFFFAOYSA-N 1 0 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/nfs/dbraw/zinc/16/44/81/439164481.db2.gz SOHDTZUZVVRJQT-RISCZKNCSA-N 1 0 326.353 0.752 20 5 ECBDRO C[NH+](C)CC1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000597709371 439164568 /nfs/dbraw/zinc/16/45/68/439164568.db2.gz UVFMTLHTXJQUEJ-UHFFFAOYSA-N 1 0 334.376 0.735 20 5 ECBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000567862158 439187907 /nfs/dbraw/zinc/18/79/07/439187907.db2.gz PGNIKTCXZUNRNQ-UHFFFAOYSA-N 1 0 326.378 0.754 20 5 ECBDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000597941893 439200811 /nfs/dbraw/zinc/20/08/11/439200811.db2.gz GLOSNWPIJVYMSS-NSHDSACASA-N 1 0 338.412 0.574 20 5 ECBDRO COC(=O)c1cc(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cc([N+](=O)[O-])c1 ZINC000592338549 439207856 /nfs/dbraw/zinc/20/78/56/439207856.db2.gz XSBIYKPNNDCWHV-QWRGUYRKSA-N 1 0 325.296 0.811 20 5 ECBDRO Cc1cc(S(=O)(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000592373811 439212365 /nfs/dbraw/zinc/21/23/65/439212365.db2.gz CROBYEUYMBBMCK-GWCFXTLKSA-N 1 0 329.378 0.640 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000581437723 439212579 /nfs/dbraw/zinc/21/25/79/439212579.db2.gz VCDJTQGRHYNPEK-STQMWFEESA-N 1 0 338.364 0.149 20 5 ECBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000592374247 439213674 /nfs/dbraw/zinc/21/36/74/439213674.db2.gz IDOTXHONLLWFGJ-MFKMUULPSA-N 1 0 343.405 0.894 20 5 ECBDRO CC[C@H]1CN(S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592381761 439215493 /nfs/dbraw/zinc/21/54/93/439215493.db2.gz DIHRCFLXTZFWPY-VHSXEESVSA-N 1 0 331.398 0.559 20 5 ECBDRO O=C1CCCN1[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000525784092 439216597 /nfs/dbraw/zinc/21/65/97/439216597.db2.gz ZEEXBQRKNGLGSG-OCCSQVGLSA-N 1 0 337.380 0.239 20 5 ECBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000598538871 439276424 /nfs/dbraw/zinc/27/64/24/439276424.db2.gz DNMGEXMWCONIJI-LLVKDONJSA-N 1 0 325.369 0.511 20 5 ECBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCN1CC[NH2+]CC1 ZINC000592472127 439236223 /nfs/dbraw/zinc/23/62/23/439236223.db2.gz NIEZLGOVTRMEID-ZDUSSCGKSA-N 1 0 335.408 0.759 20 5 ECBDRO CS(=O)(=O)C1(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000592483847 439238402 /nfs/dbraw/zinc/23/84/02/439238402.db2.gz DYBGSUZENAWDDC-UHFFFAOYSA-N 1 0 341.389 0.378 20 5 ECBDRO Cc1c(C(=O)N[C@@H](C)[C@H](C)[NH3+])cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000592556896 439252039 /nfs/dbraw/zinc/25/20/39/439252039.db2.gz MROPXHHECAWQBC-YUMQZZPRSA-N 1 0 330.366 0.016 20 5 ECBDRO C[NH+](C)CCN1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1=O ZINC000593050822 439335091 /nfs/dbraw/zinc/33/50/91/439335091.db2.gz JHWXTAAAQPENAM-UHFFFAOYSA-N 1 0 346.391 0.677 20 5 ECBDRO C[NH+](C)C[C@@H]1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000598596035 439285425 /nfs/dbraw/zinc/28/54/25/439285425.db2.gz NSCYQCNYGJFFCN-LBPRGKRZSA-N 1 0 336.396 0.609 20 5 ECBDRO [NH3+][C@H]1C[C@@H]2CN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])CCN2C1=O ZINC000568883589 439288274 /nfs/dbraw/zinc/28/82/74/439288274.db2.gz NEHMNZIEGCXLHE-SFYZADRCSA-N 1 0 345.281 0.757 20 5 ECBDRO CN(C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000598661431 439297762 /nfs/dbraw/zinc/29/77/62/439297762.db2.gz FMZKDWGDGRMINH-UHFFFAOYSA-N 1 0 335.364 0.927 20 5 ECBDRO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000598664289 439298468 /nfs/dbraw/zinc/29/84/68/439298468.db2.gz CXGDYUIUTWONGG-FZMZJTMJSA-N 1 0 347.375 0.927 20 5 ECBDRO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000598664575 439298888 /nfs/dbraw/zinc/29/88/88/439298888.db2.gz GWTSOKIIINALSJ-SMDDNHRTSA-N 1 0 347.375 0.927 20 5 ECBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598666495 439299607 /nfs/dbraw/zinc/29/96/07/439299607.db2.gz ZGWUALJXSZONIH-WDEREUQCSA-N 1 0 335.364 0.912 20 5 ECBDRO O=C(NCC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)Nc1cccc([N+](=O)[O-])c1 ZINC000598665913 439300389 /nfs/dbraw/zinc/30/03/89/439300389.db2.gz SXVGGIPDBRYTAV-FZMZJTMJSA-N 1 0 347.375 0.927 20 5 ECBDRO C[C@@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599106842 439360358 /nfs/dbraw/zinc/36/03/58/439360358.db2.gz JFVPOZNGHQQKLM-BXKDBHETSA-N 1 0 331.398 0.514 20 5 ECBDRO COc1ccc(OC)c(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000582480314 439339256 /nfs/dbraw/zinc/33/92/56/439339256.db2.gz YTXCPCGZPKGBEC-CYBMUJFWSA-N 1 0 336.348 0.959 20 5 ECBDRO COCC[N@@H+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C(C)(C)C1 ZINC000593100884 439341232 /nfs/dbraw/zinc/34/12/32/439341232.db2.gz LFRFUEJZEHCRIT-UHFFFAOYSA-N 1 0 338.408 0.799 20 5 ECBDRO COc1cc(C(=O)N2CCN(C)C[C@@H]2C[NH3+])cc([N+](=O)[O-])c1OC ZINC000569602677 439347112 /nfs/dbraw/zinc/34/71/12/439347112.db2.gz JMQAPQMGFSKBTK-NSHDSACASA-N 1 0 338.364 0.327 20 5 ECBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1(C[NH3+])CCOCC1 ZINC000599103261 439357426 /nfs/dbraw/zinc/35/74/26/439357426.db2.gz NOSFJPHGAYGFBG-UHFFFAOYSA-N 1 0 329.378 0.689 20 5 ECBDRO CC(C)N1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1=O ZINC000569715970 439357902 /nfs/dbraw/zinc/35/79/02/439357902.db2.gz XCYKOTWKOJSMIS-STQMWFEESA-N 1 0 337.376 0.933 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)nc1 ZINC000593541131 439398146 /nfs/dbraw/zinc/39/81/46/439398146.db2.gz NYPBMYTWLNUDDP-LBPRGKRZSA-N 1 0 326.378 0.849 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC000599260771 439404078 /nfs/dbraw/zinc/40/40/78/439404078.db2.gz FFLUZIRKAOFPTJ-GHMZBOCLSA-N 1 0 343.409 0.433 20 5 ECBDRO NC(=O)c1ccc(CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)c([N+](=O)[O-])c1 ZINC000583145292 439426577 /nfs/dbraw/zinc/42/65/77/439426577.db2.gz IDURKWLTGUIYDC-CQSZACIVSA-N 1 0 348.403 0.881 20 5 ECBDRO [NH3+]CC1(O)CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000570718001 439443056 /nfs/dbraw/zinc/44/30/56/439443056.db2.gz KLEFEGHXDNAFDG-UHFFFAOYSA-N 1 0 345.359 0.706 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@H]2C[NH+](C)C)n1 ZINC000599351011 439443535 /nfs/dbraw/zinc/44/35/35/439443535.db2.gz UQQBVRKMCSELTP-JTQLQIEISA-N 1 0 331.398 0.433 20 5 ECBDRO CN1CCC[C@@H]([NH2+][C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000593921157 439496829 /nfs/dbraw/zinc/49/68/29/439496829.db2.gz PWVICHPXKDHBRN-RISCZKNCSA-N 1 0 332.360 0.911 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594198956 439526588 /nfs/dbraw/zinc/52/65/88/439526588.db2.gz WMEULGDLIZIONK-ZIAGYGMSSA-N 1 0 334.376 0.890 20 5 ECBDRO COC(=O)C1C[C@H](C)[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000599688667 439536497 /nfs/dbraw/zinc/53/64/97/439536497.db2.gz LIKNIWLONFCOMD-MJVIPROJSA-N 1 0 340.380 0.814 20 5 ECBDRO C[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000609257747 439556233 /nfs/dbraw/zinc/55/62/33/439556233.db2.gz KZRHTMNWBZIKNT-JTQLQIEISA-N 1 0 346.343 0.401 20 5 ECBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCOCCC[NH3+] ZINC000599900751 439573775 /nfs/dbraw/zinc/57/37/75/439573775.db2.gz OSDOARVYJAMQTM-UHFFFAOYSA-N 1 0 338.364 0.632 20 5 ECBDRO O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[NH2+]C1 ZINC000599919354 439574822 /nfs/dbraw/zinc/57/48/22/439574822.db2.gz UKPVUYOHJHPXAJ-SNVBAGLBSA-N 1 0 342.377 0.030 20 5 ECBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000599936514 439578897 /nfs/dbraw/zinc/57/88/97/439578897.db2.gz XCMOPGOQLWIJHB-QWHCGFSZSA-N 1 0 348.407 0.962 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[NH2+]C2(CCCCC2)C1 ZINC000594629036 439583733 /nfs/dbraw/zinc/58/37/33/439583733.db2.gz XGPWCAXLLUQVSQ-UHFFFAOYSA-N 1 0 334.376 0.891 20 5 ECBDRO [NH3+][C@@H]1C[C@H]2CN(c3c4ccccc4ncc3[N+](=O)[O-])CCN2C1=O ZINC000594702797 439593484 /nfs/dbraw/zinc/59/34/84/439593484.db2.gz ZVIIOAJUZJTIFO-CMPLNLGQSA-N 1 0 327.344 0.891 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCc3ccc(O)cc3CC2)c1 ZINC000610390307 439613159 /nfs/dbraw/zinc/61/31/59/439613159.db2.gz JFSQXZDMIMJTFW-MRXNPFEDSA-N 1 0 332.360 0.959 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCCN(c3ncccn3)C2)c1 ZINC000573189111 439632459 /nfs/dbraw/zinc/63/24/59/439632459.db2.gz IVRXYUOMVZRLQK-JSGCOSHPSA-N 1 0 347.379 0.201 20 5 ECBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594878125 439637114 /nfs/dbraw/zinc/63/71/14/439637114.db2.gz OFOZMRLDFNQHKF-CHWSQXEVSA-N 1 0 346.387 0.904 20 5 ECBDRO Nc1cc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc(CO)c1[N+](=O)[O-] ZINC000587862283 439669591 /nfs/dbraw/zinc/66/95/91/439669591.db2.gz VGSWCTPXLQOQIS-HUUCEWRRSA-N 1 0 336.392 0.705 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2Cc3ccccc3CO2)c1 ZINC000600746851 439698582 /nfs/dbraw/zinc/69/85/82/439698582.db2.gz NBIFEQLZBCPCGO-HOTGVXAUSA-N 1 0 332.360 0.883 20 5 ECBDRO CN1CCOC[C@H]1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000600754088 439698722 /nfs/dbraw/zinc/69/87/22/439698722.db2.gz DSJVOUKDFJZWKE-OLZOCXBDSA-N 1 0 325.365 0.255 20 5 ECBDRO CCN(CC[NH3+])C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000600795720 439702532 /nfs/dbraw/zinc/70/25/32/439702532.db2.gz CGXKRGQGQVQGDD-UHFFFAOYSA-N 1 0 349.391 0.051 20 5 ECBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000600545978 439675723 /nfs/dbraw/zinc/67/57/23/439675723.db2.gz INXHYDQPGGAGJQ-CQSZACIVSA-N 1 0 348.403 0.991 20 5 ECBDRO C[C@H](NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000595264396 439685523 /nfs/dbraw/zinc/68/55/23/439685523.db2.gz XGAQMDCBMAJOBE-ZLKJLUDKSA-N 1 0 347.375 0.609 20 5 ECBDRO C[N@@H+]1CC[C@H](C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000574188822 439688165 /nfs/dbraw/zinc/68/81/65/439688165.db2.gz JAHDZMPCZGUSJU-ZDUSSCGKSA-N 1 0 346.387 0.831 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)n1 ZINC000611334841 439692404 /nfs/dbraw/zinc/69/24/04/439692404.db2.gz PKENHZQJYHAKRG-GFCCVEGCSA-N 1 0 337.380 0.655 20 5 ECBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000574757838 439725597 /nfs/dbraw/zinc/72/55/97/439725597.db2.gz KRDJJZUBUUZGQS-NSHDSACASA-N 1 0 348.359 0.443 20 5 ECBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCCCN2CCC[N@H+](C)CC2)n1 ZINC000617405681 439878726 /nfs/dbraw/zinc/87/87/26/439878726.db2.gz RAPJMHJSBJLQIO-UHFFFAOYSA-N 1 0 338.412 0.569 20 5 ECBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000618923307 440178993 /nfs/dbraw/zinc/17/89/93/440178993.db2.gz DTGKHQHABHERRK-MRXNPFEDSA-N 1 0 337.376 0.889 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(CC[NH3+])CCO ZINC000342401733 321089837 /nfs/dbraw/zinc/08/98/37/321089837.db2.gz PFQCDDZZAWQRRS-UHFFFAOYSA-N 1 0 326.353 0.185 20 5 ECBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H](C)[NH+](C)C ZINC000344654252 321159057 /nfs/dbraw/zinc/15/90/57/321159057.db2.gz LLFMPQXYVMKIAQ-GXSJLCMTSA-N 1 0 326.401 0.894 20 5 ECBDRO [NH3+][C@@H](CC(F)F)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345834550 321202462 /nfs/dbraw/zinc/20/24/62/321202462.db2.gz ZRUQPRSTRRWJRP-WPRPVWTQSA-N 1 0 329.307 0.985 20 5 ECBDRO CC(C)[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)N1CC[NH+](C)CC1 ZINC000347515704 321242783 /nfs/dbraw/zinc/24/27/83/321242783.db2.gz GZWXCGVJCSOQLR-GFCCVEGCSA-N 1 0 338.412 0.330 20 5 ECBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000347641930 321246914 /nfs/dbraw/zinc/24/69/14/321246914.db2.gz AFYFLEDGJBNQMM-LLVKDONJSA-N 1 0 337.380 0.654 20 5 ECBDRO C[C@H](CC[NH3+])NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000349949128 321319756 /nfs/dbraw/zinc/31/97/56/321319756.db2.gz HIPJOXPMGWANRL-MRVPVSSYSA-N 1 0 328.756 0.832 20 5 ECBDRO [NH3+][C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1c1ccc(F)cc1 ZINC000368422758 321727467 /nfs/dbraw/zinc/72/74/67/321727467.db2.gz RWSOEHOBHHTHSP-KGLIPLIRSA-N 1 0 333.323 0.884 20 5 ECBDRO CO[C@@H]1COCC[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000521863678 321979940 /nfs/dbraw/zinc/97/99/40/321979940.db2.gz ADPFOIZRZLPEHX-WOSRLPQWSA-N 1 0 340.376 0.976 20 5 ECBDRO CC[N@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000545304950 322108710 /nfs/dbraw/zinc/10/87/10/322108710.db2.gz MYGNUFQDYSCRDR-UHFFFAOYSA-N 1 0 339.348 0.410 20 5 ECBDRO O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1CCOc1cccc([N+](=O)[O-])c1 ZINC000563082465 322296651 /nfs/dbraw/zinc/29/66/51/322296651.db2.gz ZCMLCQMMINFIJB-OAHLLOKOSA-N 1 0 334.332 0.648 20 5 ECBDRO CN1CCCC(C)(C)[C@@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000564076388 322360253 /nfs/dbraw/zinc/36/02/53/322360253.db2.gz LXVFXJCREORDOT-KGLIPLIRSA-N 1 0 325.413 0.862 20 5 ECBDRO CC(=O)Nc1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000564845401 322398898 /nfs/dbraw/zinc/39/88/98/322398898.db2.gz XLEOVTGCBBZNTH-HNNXBMFYSA-N 1 0 333.348 0.900 20 5 ECBDRO COCC[NH2+]C1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000565098446 322430430 /nfs/dbraw/zinc/43/04/30/322430430.db2.gz KDWORHIGRCFUPJ-UHFFFAOYSA-N 1 0 340.384 0.201 20 5 ECBDRO CC(C)([NH3+])c1noc(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 ZINC000569723549 322663105 /nfs/dbraw/zinc/66/31/05/322663105.db2.gz AKYZWWUVABEVOF-UHFFFAOYSA-N 1 0 347.379 0.889 20 5 ECBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[NH2+]CCCO1 ZINC000571029957 322707534 /nfs/dbraw/zinc/70/75/34/322707534.db2.gz CRXARHRQQXIJND-CQSZACIVSA-N 1 0 338.364 0.651 20 5 ECBDRO CCC[C@H](O)[C@H](CO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000573489518 322762588 /nfs/dbraw/zinc/76/25/88/322762588.db2.gz GRLBUWLCUNISCN-KBPBESRZSA-N 1 0 346.405 0.480 20 5 ECBDRO CC[NH2+]CCCNS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000574157208 322774243 /nfs/dbraw/zinc/77/42/43/322774243.db2.gz XGFWCTVFGSZGCB-UHFFFAOYSA-N 1 0 345.377 0.659 20 5 ECBDRO C[NH2+]C1CCN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000574802233 322785440 /nfs/dbraw/zinc/78/54/40/322785440.db2.gz GEHUWGLRDGPGAW-UHFFFAOYSA-N 1 0 346.387 0.690 20 5 ECBDRO O=C(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCc2ccccc21 ZINC000577503211 322837239 /nfs/dbraw/zinc/83/72/39/322837239.db2.gz MTMVYIWXAPXAIF-AWEZNQCLSA-N 1 0 345.359 0.331 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H](CO)CC(F)F)cc1 ZINC000579592168 322901332 /nfs/dbraw/zinc/90/13/32/322901332.db2.gz GTVYMOYTOMFHRV-VIFPVBQESA-N 1 0 338.332 0.974 20 5 ECBDRO COC(=O)[C@H](O)C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000750118524 579347592 /nfs/dbraw/zinc/34/75/92/579347592.db2.gz YUPLZEVGZSHWGW-LSDHHAIUSA-N 1 0 338.360 0.874 20 5 ECBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@@H]1C ZINC000736145485 578410997 /nfs/dbraw/zinc/41/09/97/578410997.db2.gz CDXOIEYWEZDJBJ-QWRGUYRKSA-N 1 0 347.379 0.666 20 5 ECBDRO O=[N+]([O-])c1cnc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(-c2nn[nH]n2)c1 ZINC000738373502 579625009 /nfs/dbraw/zinc/62/50/09/579625009.db2.gz DWCXUFACBKJVSU-MWLCHTKSSA-N 1 0 346.351 0.445 20 5 ECBDRO COc1ccc([C@@H](O)C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000743259677 579796115 /nfs/dbraw/zinc/79/61/15/579796115.db2.gz JUKOYLCUBHSMJX-ZFWWWQNUSA-N 1 0 336.348 0.484 20 5 ECBDRO C[C@H](C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000842764720 589035595 /nfs/dbraw/zinc/03/55/95/589035595.db2.gz UQKXJIHKCPAXNL-ZCFIWIBFSA-N 1 0 338.183 0.983 20 5 ECBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2C[C@@H]([NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000842801417 589037257 /nfs/dbraw/zinc/03/72/57/589037257.db2.gz KRIDMHUQLHWMFA-DTORHVGOSA-N 1 0 344.349 0.888 20 5 ECBDRO COc1cc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000896567066 586256557 /nfs/dbraw/zinc/25/65/57/586256557.db2.gz YVPURGRNZJBBEA-RISCZKNCSA-N 1 0 336.392 0.968 20 5 ECBDRO O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000897591746 586347993 /nfs/dbraw/zinc/34/79/93/586347993.db2.gz TXDHBZSBJZTKDN-AWEZNQCLSA-N 1 0 349.391 0.676 20 5 ECBDRO Cn1cc([C@@H](O)C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000843092296 589050464 /nfs/dbraw/zinc/05/04/64/589050464.db2.gz NPATVMGCMSEJBL-HIFRSBDPSA-N 1 0 336.348 0.391 20 5 ECBDRO O=C1NC2(CC[NH+](Cc3ccccc3)CC2)C(=O)N1CC[N+](=O)[O-] ZINC000899893993 586511425 /nfs/dbraw/zinc/51/14/25/586511425.db2.gz YWXRLCOLTZGYGN-UHFFFAOYSA-N 1 0 332.360 0.850 20 5 ECBDRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000899943279 586514533 /nfs/dbraw/zinc/51/45/33/586514533.db2.gz ZTMGSAODNGTGQQ-WBVHZDCISA-N 1 0 348.403 0.699 20 5 ECBDRO COCC[C@H]1C[NH2+]CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000903840955 586819695 /nfs/dbraw/zinc/81/96/95/586819695.db2.gz VCTZAMHQMNUIPB-UONOGXRCSA-N 1 0 339.392 0.645 20 5 ECBDRO COC[C@@H]1C[NH2+]CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000903883752 586823384 /nfs/dbraw/zinc/82/33/84/586823384.db2.gz YZIMNMJKKIDYJS-STQMWFEESA-N 1 0 325.365 0.255 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000843457098 589068167 /nfs/dbraw/zinc/06/81/67/589068167.db2.gz UFRIFGXHSXBOLE-UHFFFAOYSA-N 1 0 346.347 0.516 20 5 ECBDRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839657663 586886125 /nfs/dbraw/zinc/88/61/25/586886125.db2.gz DPVCJWVVAVLGMZ-HZPDHXFCSA-N 1 0 333.388 0.925 20 5 ECBDRO O=C(CC[N@H+]1CC[C@H](CO)[C@H](O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000808750491 587160863 /nfs/dbraw/zinc/16/08/63/587160863.db2.gz KQMSCKWUNKBFNQ-QMTHXVAHSA-N 1 0 341.339 0.738 20 5 ECBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000844034230 589089841 /nfs/dbraw/zinc/08/98/41/589089841.db2.gz LCDARAGKDSTYFA-SNVBAGLBSA-N 1 0 335.364 0.369 20 5 ECBDRO C[N@@H+]1C[C@H]2CCN(C(=O)COc3ccc(C=O)cc3[N+](=O)[O-])[C@H]2C1 ZINC000816952329 587329844 /nfs/dbraw/zinc/32/98/44/587329844.db2.gz IDCWGUTZZFDTMQ-OCCSQVGLSA-N 1 0 333.344 0.949 20 5 ECBDRO CS(=O)(=O)N1CC[C@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819187465 587471948 /nfs/dbraw/zinc/47/19/48/587471948.db2.gz KWRFHCZCXAZMTM-RISCZKNCSA-N 1 0 343.405 0.499 20 5 ECBDRO CC[C@H](CNS(C)(=O)=O)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819343610 587476966 /nfs/dbraw/zinc/47/69/66/587476966.db2.gz OEKHRWJKWOCZIL-DGCLKSJQSA-N 1 0 331.394 0.546 20 5 ECBDRO C[C@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000820281249 587523746 /nfs/dbraw/zinc/52/37/46/587523746.db2.gz ULBNPYVCUKGCCI-SNVBAGLBSA-N 1 0 347.383 0.218 20 5 ECBDRO CC[N@H+](C)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821164293 587576276 /nfs/dbraw/zinc/57/62/76/587576276.db2.gz AOYNXZZQWNKKBQ-SNVBAGLBSA-N 1 0 332.368 0.948 20 5 ECBDRO COCC[N@@H+]1CCC[C@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821691052 587623050 /nfs/dbraw/zinc/62/30/50/587623050.db2.gz GXMCVSLHLDVKEA-JTQLQIEISA-N 1 0 348.367 0.693 20 5 ECBDRO O=[N+]([O-])c1cc(-c2noc([C@H]3C[NH2+]CCO3)n2)ccc1-n1cncn1 ZINC000823260269 587713068 /nfs/dbraw/zinc/71/30/68/587713068.db2.gz VEZDOWHVBYQHGO-GFCCVEGCSA-N 1 0 343.303 0.886 20 5 ECBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000829015255 588214989 /nfs/dbraw/zinc/21/49/89/588214989.db2.gz CMLFFRBHGAGEAN-TXEJJXNPSA-N 1 0 336.392 0.846 20 5 ECBDRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000829285797 588321112 /nfs/dbraw/zinc/32/11/12/588321112.db2.gz BQVXVWNMESORHW-UHFFFAOYSA-N 1 0 337.380 0.362 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)nc1 ZINC000850587660 589369782 /nfs/dbraw/zinc/36/97/82/589369782.db2.gz GBOOCFYFWLCPED-ZDUSSCGKSA-N 1 0 326.378 0.754 20 5 ECBDRO Cc1c(C(=O)N2CCOC3(C[NH2+]C3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000853244971 589539055 /nfs/dbraw/zinc/53/90/55/589539055.db2.gz GRZWWAVGTIYBTF-UHFFFAOYSA-N 1 0 336.304 0.626 20 5 ECBDRO CN(CCC[NH+](C)C)CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000855414546 589630676 /nfs/dbraw/zinc/63/06/76/589630676.db2.gz GVYAKPREYRRPOW-UHFFFAOYSA-N 1 0 341.387 0.929 20 5 ECBDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ncccc3[N+](=O)[O-])CC[C@H]21 ZINC000867811068 589846965 /nfs/dbraw/zinc/84/69/65/589846965.db2.gz NLIPJQICVYOOFZ-GHMZBOCLSA-N 1 0 326.378 0.705 20 5 ECBDRO CNc1c(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000861714158 589878309 /nfs/dbraw/zinc/87/83/09/589878309.db2.gz IOWANYUGDOTNRV-NWDGAFQWSA-N 1 0 334.376 0.918 20 5 ECBDRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119730838 590047784 /nfs/dbraw/zinc/04/77/84/590047784.db2.gz UXURTZBCXKPIGH-JTQLQIEISA-N 1 0 348.450 0.571 20 5 ECBDRO O=C(NC[C@H]1COCC[NH2+]1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000877039786 590435763 /nfs/dbraw/zinc/43/57/63/590435763.db2.gz JDPGWQWRGNAFCM-LBPRGKRZSA-N 1 0 334.376 0.913 20 5 ECBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886043806 590788659 /nfs/dbraw/zinc/78/86/59/590788659.db2.gz KKKSBZZALNBMAU-CQSZACIVSA-N 1 0 333.392 0.728 20 5 ECBDRO O=[N+]([O-])c1ncccc1CN1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000886103122 590797380 /nfs/dbraw/zinc/79/73/80/590797380.db2.gz ZEPWNUYEVUBTPA-UHFFFAOYSA-N 1 0 336.392 0.649 20 5 ECBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000935399012 611367913 /nfs/dbraw/zinc/36/79/13/611367913.db2.gz DSIUUFZVNJTCEI-OAHLLOKOSA-N 1 0 325.340 0.849 20 5 ECBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841999922 611311651 /nfs/dbraw/zinc/31/16/51/611311651.db2.gz NWBMTXBPJYMZRM-FICVDOATSA-N 1 0 331.376 0.644 20 5 ECBDRO Cc1cc(S(=O)(=O)NC[C@@H]2C[NH2+]CCO2)cc([N+](=O)[O-])c1F ZINC000842483359 611313376 /nfs/dbraw/zinc/31/33/76/611313376.db2.gz KDIDMRPUEGHMBV-VIFPVBQESA-N 1 0 333.341 0.309 20 5 ECBDRO O=[N+]([O-])c1ccc(CN(C2CC2)S(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000923632601 611332821 /nfs/dbraw/zinc/33/28/21/611332821.db2.gz OFIYBGUKQBOQMW-UHFFFAOYSA-N 1 0 340.405 0.709 20 5 ECBDRO CS[C@H]1CN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000935113881 611843800 /nfs/dbraw/zinc/84/38/00/611843800.db2.gz QUDVYJFKIZMWQV-MNOVXSKESA-N 1 0 327.410 0.604 20 5 ECBDRO C[NH+](C)CCOc1cc(-n2cnc(CN)cc2=N)ccc1[N+](=O)[O-] ZINC001167359386 734006779 /nfs/dbraw/zinc/00/67/79/734006779.db2.gz PHKYOKIWMTZARX-UHFFFAOYSA-N 1 0 332.364 0.659 20 5 ECBDRO O=C(Cc1nc[nH]n1)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001022953375 736312040 /nfs/dbraw/zinc/31/20/40/736312040.db2.gz PCMHDZLIYKASLO-TXEJJXNPSA-N 1 0 330.348 0.692 20 5 ECBDRO O=C(NCc1nc(C[NH2+]CC2CCCC2)cc(=O)[nH]1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001087256629 737407474 /nfs/dbraw/zinc/40/74/74/737407474.db2.gz CGKVIZKJWOBJLG-CHWSQXEVSA-N 1 0 349.391 0.743 20 5 ECBDRO O=C(N[C@@H]1[C@H]2C[N@H+](CCCC3CCOCC3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025776062 739944893 /nfs/dbraw/zinc/94/48/93/739944893.db2.gz VDNIQJYOLJKPTE-LJIZCISZSA-N 1 0 337.420 0.905 20 5 ECBDRO Cc1nc(CC[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cs1 ZINC001025776118 739945007 /nfs/dbraw/zinc/94/50/07/739945007.db2.gz ZCAOSIKLEOWNKT-RGDJUOJXSA-N 1 0 336.417 0.706 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)Cc1cscn1 ZINC001167722700 740302911 /nfs/dbraw/zinc/30/29/11/740302911.db2.gz GQKUDAKRLOTCTR-UHFFFAOYSA-N 1 0 338.393 0.623 20 5 ECBDRO O=C(Cn1cncn1)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001026144990 740418459 /nfs/dbraw/zinc/41/84/59/740418459.db2.gz GFYYZPSIFCOBPN-VIKVFOODSA-N 1 0 342.359 0.433 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CC1CCN(C(=O)c2cn[nH]c2)CC1 ZINC000997570100 743683417 /nfs/dbraw/zinc/68/34/17/743683417.db2.gz FZIUAKJRSRNNLI-UHFFFAOYSA-N 1 0 347.379 0.693 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C[C@H]1C[C@H](NC(=O)Cn2ccnc2)C1 ZINC000985167681 747497637 /nfs/dbraw/zinc/49/76/37/747497637.db2.gz OSMTXKBNWIQSDW-HAQNSBGRSA-N 1 0 347.379 0.209 20 5 ECBDRO Cc1nc[nH]c1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000985180027 747523155 /nfs/dbraw/zinc/52/31/55/747523155.db2.gz PWHGJBYBJRXMPQ-XYPYZODXSA-N 1 0 347.379 0.658 20 5 ECBDRO O=C(Cn1cncn1)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001004100001 749211042 /nfs/dbraw/zinc/21/10/42/749211042.db2.gz DDNJFYUBDQWADZ-UHFFFAOYSA-N 1 0 344.375 0.967 20 5 ECBDRO Cc1ccccc1CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126942564 756912756 /nfs/dbraw/zinc/91/27/56/756912756.db2.gz BMOIAPQFMAFCOX-HUUCEWRRSA-N 1 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Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001021918336 758058352 /nfs/dbraw/zinc/05/83/52/758058352.db2.gz JBDCMHKUHHYASS-PHIMTYICSA-N 1 0 333.352 0.031 20 5 ECBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cn(CC3CC3)nn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063696 758225779 /nfs/dbraw/zinc/22/57/79/758225779.db2.gz HSPCRDYNSKKLKV-ZMJPVWNMSA-N 1 0 334.380 0.090 20 5 ECBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cc3n(n2)CCCC3)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063906 758226101 /nfs/dbraw/zinc/22/61/01/758226101.db2.gz OFIVTSOBKSZZCM-BAESOJJISA-N 1 0 333.392 0.621 20 5 ECBDRO O=C(Cn1ncnn1)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001022082501 758252485 /nfs/dbraw/zinc/25/24/85/758252485.db2.gz CBLPETQUMILEKF-TXEJJXNPSA-N 1 0 331.336 0.018 20 5 ECBDRO Cn1nnc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001022558554 758885592 /nfs/dbraw/zinc/88/55/92/758885592.db2.gz AYQNMHJXBHKLNR-PHIMTYICSA-N 1 0 331.336 0.169 20 5 ECBDRO CCC[N@H+](C)CC(=O)N(CC)CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC001106809119 769077598 /nfs/dbraw/zinc/07/75/98/769077598.db2.gz AKHCLYUAUAWRCZ-UHFFFAOYSA-N 1 0 339.400 0.569 20 5 ECBDRO CC(F)(F)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001055574894 769159784 /nfs/dbraw/zinc/15/97/84/769159784.db2.gz CHDNIFXEKIPJIG-GHMZBOCLSA-N 1 0 348.350 0.004 20 5 ECBDRO CC1(C(=O)NCC[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001055588873 769191272 /nfs/dbraw/zinc/19/12/72/769191272.db2.gz WONWAORAORVQDV-CHWSQXEVSA-N 1 0 338.408 0.149 20 5 ECBDRO Cn1ccc(C[NH+]2CCC(C)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1=O ZINC001045436055 775610100 /nfs/dbraw/zinc/61/01/00/775610100.db2.gz FUPDJVAIRVYSEQ-ZIAGYGMSSA-N 1 0 348.403 0.521 20 5 ECBDRO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)CCC[NH+](C)C)C1 ZINC001079746920 776794127 /nfs/dbraw/zinc/79/41/27/776794127.db2.gz NDJIKMZMOIIFGF-CHWSQXEVSA-N 1 0 326.397 0.053 20 5 ECBDRO COc1ccc(OCCN2CC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001042710773 780675353 /nfs/dbraw/zinc/67/53/53/780675353.db2.gz HWJJJIMQIKSHGS-HZPDHXFCSA-N 1 0 349.387 0.882 20 5 ECBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(CCc2ccc3c(c2)CCO3)C1 ZINC001042710787 780675680 /nfs/dbraw/zinc/67/56/80/780675680.db2.gz ITOCMBIFFXFOKB-HZPDHXFCSA-N 1 0 345.399 0.972 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCN(CCO)C(=O)C=C1CCC1 ZINC001279686653 837610137 /nfs/dbraw/zinc/61/01/37/837610137.db2.gz GMUYCXIYOIGYKU-UHFFFAOYSA-N 1 0 337.380 0.349 20 5 ECBDRO C[N@H+](CCNC(=O)c1ccc(=O)[nH]n1)Cc1ccc([N+](=O)[O-])cc1 ZINC001266253358 835559054 /nfs/dbraw/zinc/55/90/54/835559054.db2.gz WFRJWPNKBGKQCJ-UHFFFAOYSA-N 1 0 331.332 0.952 20 5 ECBDRO CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001266901158 836455033 /nfs/dbraw/zinc/45/50/33/836455033.db2.gz BAONXAAOFPWURD-NHAGDIPZSA-N 1 0 347.375 0.070 20 5 ECBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@H]2CCCOC2)c1 ZINC000178006045 232056415 /nfs/dbraw/zinc/05/64/15/232056415.db2.gz GIIPNWZARXHVPF-NSHDSACASA-N 1 0 329.378 0.642 20 5 ECBDRO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000066620688 215060154 /nfs/dbraw/zinc/06/01/54/215060154.db2.gz NXNPDZLXOZTBTL-GFCCVEGCSA-N 1 0 346.387 0.925 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2C[C@H](C[NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000423475148 209751558 /nfs/dbraw/zinc/75/15/58/209751558.db2.gz RQBCFPPHRUDGEF-NEPJUHHUSA-N 1 0 334.376 0.829 20 5 ECBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000184081214 235301935 /nfs/dbraw/zinc/30/19/35/235301935.db2.gz KULXDQYXYGADHL-LBPRGKRZSA-N 1 0 335.408 0.933 20 5 ECBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000186875292 236049617 /nfs/dbraw/zinc/04/96/17/236049617.db2.gz XTEPPJKHWBFMEJ-NOZJJQNGSA-N 1 0 341.389 0.726 20 5 ECBDRO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000418921821 283455441 /nfs/dbraw/zinc/45/54/41/283455441.db2.gz JYRXOKRUZOMEOQ-AWEZNQCLSA-N 1 0 334.376 0.593 20 5 ECBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000420448482 209368430 /nfs/dbraw/zinc/36/84/30/209368430.db2.gz DYLXRNCOVRKDCN-ZDUSSCGKSA-N 1 0 342.421 0.339 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000419761088 209200209 /nfs/dbraw/zinc/20/02/09/209200209.db2.gz OXFMTWAGOAHWML-QWRGUYRKSA-N 1 0 334.376 0.728 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000419762082 209199809 /nfs/dbraw/zinc/19/98/09/209199809.db2.gz RJERHPDQXYQRMQ-CMPLNLGQSA-N 1 0 334.376 0.715 20 5 ECBDRO CC[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C[C@H](C)O ZINC000246736868 243305489 /nfs/dbraw/zinc/30/54/89/243305489.db2.gz FXZFZOJUUNSXKQ-NWDGAFQWSA-N 1 0 325.369 0.095 20 5 ECBDRO C[C@@H]1CN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000262610470 245063555 /nfs/dbraw/zinc/06/35/55/245063555.db2.gz DMNXDKZKTSCHKC-SECBINFHSA-N 1 0 338.389 0.606 20 5 ECBDRO C[C@H]([NH3+])CCC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262745229 245157440 /nfs/dbraw/zinc/15/74/40/245157440.db2.gz JJKLIQYJYSPLDP-JTQLQIEISA-N 1 0 344.393 0.117 20 5 ECBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000450623280 211335714 /nfs/dbraw/zinc/33/57/14/211335714.db2.gz MCXSYTVHZIANKK-MRXNPFEDSA-N 1 0 335.360 0.741 20 5 ECBDRO Cc1nc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000450319104 211319337 /nfs/dbraw/zinc/31/93/37/211319337.db2.gz XTMZIWHZWLJTTR-UHFFFAOYSA-N 1 0 334.380 0.438 20 5 ECBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449705775 211293813 /nfs/dbraw/zinc/29/38/13/211293813.db2.gz ZFNACRMKUPEUMM-CQSZACIVSA-N 1 0 344.375 0.414 20 5 ECBDRO C[N@@H+]1CC[C@](O)(CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446900723 211162392 /nfs/dbraw/zinc/16/23/92/211162392.db2.gz QUEHLRIVUIYCNV-HNNXBMFYSA-N 1 0 348.363 0.337 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000443865596 211042409 /nfs/dbraw/zinc/04/24/09/211042409.db2.gz CEGZZDSYCXRGJL-AWEZNQCLSA-N 1 0 337.380 0.505 20 5 ECBDRO C[NH+]1CCC(O)(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000443251761 211001444 /nfs/dbraw/zinc/00/14/44/211001444.db2.gz PNGZVJZPFKGEIX-UHFFFAOYSA-N 1 0 335.407 0.391 20 5 ECBDRO CO[C@@H](C)[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000268801259 252255865 /nfs/dbraw/zinc/25/58/65/252255865.db2.gz GGBVXPFMAHKNKO-QWRGUYRKSA-N 1 0 331.394 0.886 20 5 ECBDRO CN(C)C(=O)[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000411939123 208173515 /nfs/dbraw/zinc/17/35/15/208173515.db2.gz ITLATIKJLJQEPK-GFCCVEGCSA-N 1 0 334.376 0.968 20 5 ECBDRO CN(C)C(=O)[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000411956203 208179644 /nfs/dbraw/zinc/17/96/44/208179644.db2.gz RCKLCJPIZQFQLG-CHWSQXEVSA-N 1 0 337.376 0.745 20 5 ECBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)C(=O)NCC[NH+]1CCCCC1 ZINC000412322176 208222777 /nfs/dbraw/zinc/22/27/77/208222777.db2.gz PEAPTJSYPBEZJO-SNVBAGLBSA-N 1 0 338.368 0.038 20 5 ECBDRO 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ABZVTEBZXYPMSW-HNNXBMFYSA-N 1 0 335.360 0.953 20 5 ECBDRO C[NH2+][C@@H](C)CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000261823549 436889764 /nfs/dbraw/zinc/88/97/64/436889764.db2.gz UPBWQAOVGCSNSX-QMMMGPOBSA-N 1 0 328.756 0.702 20 5 ECBDRO [NH3+][C@@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CCOCC1 ZINC000261813679 436890870 /nfs/dbraw/zinc/89/08/70/436890870.db2.gz OYFNYSBVVFWODO-MRXNPFEDSA-N 1 0 348.403 0.997 20 5 ECBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000161589354 436894487 /nfs/dbraw/zinc/89/44/87/436894487.db2.gz DCLGKHGFPFYQBW-AWEZNQCLSA-N 1 0 346.387 0.879 20 5 ECBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000162101109 436903612 /nfs/dbraw/zinc/90/36/12/436903612.db2.gz RABXFJHSOSDNGJ-VXGBXAGGSA-N 1 0 343.405 0.888 20 5 ECBDRO NS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000170690169 436949222 /nfs/dbraw/zinc/94/92/22/436949222.db2.gz KIKBAEMPQWTOLO-LBPRGKRZSA-N 1 0 328.394 0.600 20 5 ECBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC[N@@H+]1CC(C)(C)O ZINC000275598292 436988080 /nfs/dbraw/zinc/98/80/80/436988080.db2.gz HOXSPOQNHCFGSE-SNVBAGLBSA-N 1 0 338.364 0.613 20 5 ECBDRO C[N@@H+]1CCN(CCNC(=O)c2cccc([N+](=O)[O-])c2N)CC1(C)C ZINC000281705864 436990961 /nfs/dbraw/zinc/99/09/61/436990961.db2.gz HFZMRICSVMVWAR-UHFFFAOYSA-N 1 0 335.408 0.933 20 5 ECBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000264636276 437057439 /nfs/dbraw/zinc/05/74/39/437057439.db2.gz DQNCOQURQKWVKX-CYBMUJFWSA-N 1 0 335.408 0.759 20 5 ECBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000264773226 437081848 /nfs/dbraw/zinc/08/18/48/437081848.db2.gz QEHOSIVCGSXDED-SNVBAGLBSA-N 1 0 325.344 0.292 20 5 ECBDRO CN1CCO[C@H]2CCN(C(=O)CNc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000286550238 437100065 /nfs/dbraw/zinc/10/00/65/437100065.db2.gz XHKSFVOJJDFJDT-GJZGRUSLSA-N 1 0 334.376 0.938 20 5 ECBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000331681419 437143337 /nfs/dbraw/zinc/14/33/37/437143337.db2.gz QLYKEBVFRNORPN-LBPRGKRZSA-N 1 0 337.380 0.408 20 5 ECBDRO CNC(=O)c1ccc(N2CC[N@H+](CCO)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000302442709 437144086 /nfs/dbraw/zinc/14/40/86/437144086.db2.gz AMTZMKIOADESPR-UHFFFAOYSA-N 1 0 336.392 0.847 20 5 ECBDRO CN(C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C)C1 ZINC000176640819 437152162 /nfs/dbraw/zinc/15/21/62/437152162.db2.gz VMJOYGPWIDFINR-AWEZNQCLSA-N 1 0 334.376 0.877 20 5 ECBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1(CO)CCOCC1 ZINC000276742144 437156043 /nfs/dbraw/zinc/15/60/43/437156043.db2.gz GEPNJUIJTXKZIO-CYBMUJFWSA-N 1 0 340.376 0.808 20 5 ECBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H]1[NH+]1CCCC1 ZINC000331639170 437135258 /nfs/dbraw/zinc/13/52/58/437135258.db2.gz UICNUDVSMHSOTP-QWRGUYRKSA-N 1 0 325.394 0.970 20 5 ECBDRO CS[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H]1[NH+]1CCCC1 ZINC000331639218 437136116 /nfs/dbraw/zinc/13/61/16/437136116.db2.gz UISAISCHWFHOLE-RYUDHWBXSA-N 1 0 339.421 0.980 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CCCO[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000313331441 437172910 /nfs/dbraw/zinc/17/29/10/437172910.db2.gz BOAYUGARFUCLHZ-NSHDSACASA-N 1 0 345.377 0.342 20 5 ECBDRO COc1ccc(C[N@H+](C)C[C@H](O)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000177352282 437179972 /nfs/dbraw/zinc/17/99/72/437179972.db2.gz LGLQODMDCQABCM-AWEZNQCLSA-N 1 0 339.392 0.728 20 5 ECBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000316603265 437187593 /nfs/dbraw/zinc/18/75/93/437187593.db2.gz HXQZPVHUJWFZMV-ZYHUDNBSSA-N 1 0 329.378 0.640 20 5 ECBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000317317137 437192466 /nfs/dbraw/zinc/19/24/66/437192466.db2.gz VROFFMHDXLGWBJ-ZYHUDNBSSA-N 1 0 329.378 0.640 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000317418843 437192491 /nfs/dbraw/zinc/19/24/91/437192491.db2.gz NQBXJCWVGXXSED-CMPLNLGQSA-N 1 0 329.378 0.640 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000322378459 437215860 /nfs/dbraw/zinc/21/58/60/437215860.db2.gz GLAADXQNNUXMKD-JOYOIKCWSA-N 1 0 345.377 0.340 20 5 ECBDRO C[NH+](C)CCn1cc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)ccc1=O ZINC000277956022 437267053 /nfs/dbraw/zinc/26/70/53/437267053.db2.gz DDQMSSHDGGLFIT-UHFFFAOYSA-N 1 0 347.331 0.671 20 5 ECBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000332423108 437221794 /nfs/dbraw/zinc/22/17/94/437221794.db2.gz RZOPRDDJYSRHBM-LLVKDONJSA-N 1 0 337.380 0.654 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277526874 437228251 /nfs/dbraw/zinc/22/82/51/437228251.db2.gz MGBJDOVGFWYPAC-CYBMUJFWSA-N 1 0 334.376 0.890 20 5 ECBDRO C[NH+](C)C1CCN(CCNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000267239540 437309038 /nfs/dbraw/zinc/30/90/38/437309038.db2.gz KJLKTFKXVAKAAV-UHFFFAOYSA-N 1 0 338.412 0.324 20 5 ECBDRO C[C@@H]1C[N@H+](CCCNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CCCO1 ZINC000278737195 437338768 /nfs/dbraw/zinc/33/87/68/437338768.db2.gz WMFJYDNSWVXVIJ-LLVKDONJSA-N 1 0 338.364 0.926 20 5 ECBDRO CC(C)[C@@](C)([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000289470573 437412991 /nfs/dbraw/zinc/41/29/91/437412991.db2.gz YZLVLGDYIBWWHW-IUODEOHRSA-N 1 0 325.365 0.824 20 5 ECBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CCO)C[C@@H](C)O ZINC000289664127 437431905 /nfs/dbraw/zinc/43/19/05/437431905.db2.gz FLXLKBGHDXRYKO-GFCCVEGCSA-N 1 0 325.365 0.907 20 5 ECBDRO Cn1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c(=O)n(C)c1=O ZINC000289573415 437424945 /nfs/dbraw/zinc/42/49/45/437424945.db2.gz SQLUBUDRHTWQGV-UHFFFAOYSA-N 1 0 332.360 0.667 20 5 ECBDRO O=C1NC(=O)[C@]2(CCC[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)N1 ZINC000279135432 437377522 /nfs/dbraw/zinc/37/75/22/437377522.db2.gz WSLYRNNICQDPLU-IUODEOHRSA-N 1 0 334.332 0.302 20 5 ECBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000268170330 437377501 /nfs/dbraw/zinc/37/75/01/437377501.db2.gz JVWBJISDVPWBJZ-XHDPSFHLSA-N 1 0 346.387 0.924 20 5 ECBDRO C[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000185837594 437453485 /nfs/dbraw/zinc/45/34/85/437453485.db2.gz KIJMCLSSOFHCQT-GFCCVEGCSA-N 1 0 342.421 0.509 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC1(CCO)CC[NH+](C)CC1 ZINC000354142851 437541465 /nfs/dbraw/zinc/54/14/65/437541465.db2.gz JWKZDHVPWIBDLJ-UHFFFAOYSA-N 1 0 339.396 0.453 20 5 ECBDRO CC(C)(C(=O)NC[C@H]1CN2CCN1CC2)c1ccccc1[N+](=O)[O-] ZINC000343278943 437543126 /nfs/dbraw/zinc/54/31/26/437543126.db2.gz XLIIODCHTNWIHY-ZDUSSCGKSA-N 1 0 332.404 0.988 20 5 ECBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000291026987 437552179 /nfs/dbraw/zinc/55/21/79/437552179.db2.gz YIMIAHSDXDRDMU-JTQLQIEISA-N 1 0 337.380 0.370 20 5 ECBDRO Cc1n[nH]c(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1[N+](=O)[O-] ZINC000330605634 437566244 /nfs/dbraw/zinc/56/62/44/437566244.db2.gz MMLYCMWXDPDCGR-LLVKDONJSA-N 1 0 325.369 0.713 20 5 ECBDRO C[N@H+](CCCO)C1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000340309654 437624942 /nfs/dbraw/zinc/62/49/42/437624942.db2.gz HGACCSBRQYXBEI-UHFFFAOYSA-N 1 0 325.369 0.097 20 5 ECBDRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000354688503 437646691 /nfs/dbraw/zinc/64/66/91/437646691.db2.gz IWGVMBQCCCWZOM-ZDUSSCGKSA-N 1 0 332.360 0.742 20 5 ECBDRO CN(C)C(=O)NCC[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343751542 437647043 /nfs/dbraw/zinc/64/70/43/437647043.db2.gz QGJQMZPGYKMXLE-LBPRGKRZSA-N 1 0 340.380 0.538 20 5 ECBDRO C[C@@H]1COCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000192567809 437681926 /nfs/dbraw/zinc/68/19/26/437681926.db2.gz SDNMSYNZPRGTHV-VXGBXAGGSA-N 1 0 343.405 0.888 20 5 ECBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000193578528 437712247 /nfs/dbraw/zinc/71/22/47/437712247.db2.gz DWYJSGILJAEOMX-CYBMUJFWSA-N 1 0 338.412 0.181 20 5 ECBDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])nn2C)C[C@H](C)O1 ZINC000356486778 437770577 /nfs/dbraw/zinc/77/05/77/437770577.db2.gz LFYZYOGWTZWGLK-PHIMTYICSA-N 1 0 325.369 0.557 20 5 ECBDRO Cc1ccc(S(=O)(=O)NCCN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000331296436 437735779 /nfs/dbraw/zinc/73/57/79/437735779.db2.gz NCOISBPTJDOANW-UHFFFAOYSA-N 1 0 342.421 0.429 20 5 ECBDRO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000362606331 437746799 /nfs/dbraw/zinc/74/67/99/437746799.db2.gz NHXJMUSGHDJXMM-ZYHUDNBSSA-N 1 0 327.385 0.387 20 5 ECBDRO COc1ccc(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000415556796 437819777 /nfs/dbraw/zinc/81/97/77/437819777.db2.gz IPWPBBUUDUEBPE-ZJUUUORDSA-N 1 0 336.348 0.751 20 5 ECBDRO C[C@H](CNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000341280313 437824667 /nfs/dbraw/zinc/82/46/67/437824667.db2.gz HAXQMRWKHMCPLR-SECBINFHSA-N 1 0 344.393 0.170 20 5 ECBDRO CN1CC[NH2+]C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423694329 437803547 /nfs/dbraw/zinc/80/35/47/437803547.db2.gz ASVKPIWAWZVPLG-NSHDSACASA-N 1 0 329.360 0.776 20 5 ECBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415811384 437861351 /nfs/dbraw/zinc/86/13/51/437861351.db2.gz ACPSMNIRHXUNSK-MFKMUULPSA-N 1 0 348.359 0.752 20 5 ECBDRO CC(C)(CC[NH3+])NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000424046702 437882947 /nfs/dbraw/zinc/88/29/47/437882947.db2.gz LYBABLWWOQXEFG-UHFFFAOYSA-N 1 0 344.393 0.117 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000416480586 437942592 /nfs/dbraw/zinc/94/25/92/437942592.db2.gz ANUSQAFOSWLHER-VIFPVBQESA-N 1 0 345.377 0.610 20 5 ECBDRO CC[NH+]1CCN([C@H](C)CNc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000357297562 437959541 /nfs/dbraw/zinc/95/95/41/437959541.db2.gz HNMDPTPQOAHADZ-LLVKDONJSA-N 1 0 336.396 0.527 20 5 ECBDRO C[C@@H](O)C[N@H+](C)C1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000342216350 437982140 /nfs/dbraw/zinc/98/21/40/437982140.db2.gz CZCYIPSRRZHFNK-LLVKDONJSA-N 1 0 336.392 0.975 20 5 ECBDRO C[NH+](C)CCN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000357467250 437994368 /nfs/dbraw/zinc/99/43/68/437994368.db2.gz CTANNOCUWZKEET-UHFFFAOYSA-N 1 0 338.383 0.982 20 5 ECBDRO COc1cc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000366313634 438051899 /nfs/dbraw/zinc/05/18/99/438051899.db2.gz QUNYGYUDVFKMGX-JQWIXIFHSA-N 1 0 341.389 0.976 20 5 ECBDRO O=C1C[C@@]2(CN1)CCC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000342762616 438058335 /nfs/dbraw/zinc/05/83/35/438058335.db2.gz VUBJTKXJPAKXOD-CXAGYDPISA-N 1 0 349.387 0.937 20 5 ECBDRO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000366353257 438059060 /nfs/dbraw/zinc/05/90/60/438059060.db2.gz DCAHYTBSCAHHEE-QKPAOTATSA-N 1 0 333.388 0.651 20 5 ECBDRO O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000372324401 438069915 /nfs/dbraw/zinc/06/99/15/438069915.db2.gz HDMHHHZEYUVZQP-UONOGXRCSA-N 1 0 335.360 0.972 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000372910367 438118947 /nfs/dbraw/zinc/11/89/47/438118947.db2.gz IUFAEHDJSCDUMZ-HUBLWGQQSA-N 1 0 346.387 0.924 20 5 ECBDRO C[C@@H]1CN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H](C)[NH2+]1 ZINC000430953910 438134389 /nfs/dbraw/zinc/13/43/89/438134389.db2.gz VCHJNFDAOCOATJ-NXEZZACHSA-N 1 0 336.348 0.944 20 5 ECBDRO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418760302 438182263 /nfs/dbraw/zinc/18/22/63/438182263.db2.gz KCPHPCLYZLIEHC-HNNXBMFYSA-N 1 0 333.392 0.566 20 5 ECBDRO C[C@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000418782282 438188445 /nfs/dbraw/zinc/18/84/45/438188445.db2.gz MYZTUANBBRAWJK-COPLHBTASA-N 1 0 334.376 0.968 20 5 ECBDRO C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000418784641 438188740 /nfs/dbraw/zinc/18/87/40/438188740.db2.gz PWPTWNFAEKWLIP-IJLUTSLNSA-N 1 0 334.376 0.981 20 5 ECBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000366989840 438151834 /nfs/dbraw/zinc/15/18/34/438151834.db2.gz QFDOJBIZZFHHNM-ZJUUUORDSA-N 1 0 331.325 0.095 20 5 ECBDRO C[NH2+]CC1CCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000418867224 438227744 /nfs/dbraw/zinc/22/77/44/438227744.db2.gz LSLXRQIMKOLZSG-UHFFFAOYSA-N 1 0 348.403 0.712 20 5 ECBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000374829932 438233818 /nfs/dbraw/zinc/23/38/18/438233818.db2.gz PVELPOWZSUUFBO-NXEZZACHSA-N 1 0 338.339 0.909 20 5 ECBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000375771878 438263204 /nfs/dbraw/zinc/26/32/04/438263204.db2.gz LBTAGQRQIXQZIM-CHWSQXEVSA-N 1 0 335.364 0.124 20 5 ECBDRO CS(=O)(=O)NCCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000351500478 438273300 /nfs/dbraw/zinc/27/33/00/438273300.db2.gz GTYPUUPKAZNRRL-NWDGAFQWSA-N 1 0 345.425 0.804 20 5 ECBDRO CC(C)c1[nH]nc(C(=O)Nc2ccn(CC[NH+](C)C)n2)c1[N+](=O)[O-] ZINC000434182768 438282100 /nfs/dbraw/zinc/28/21/00/438282100.db2.gz LLGYTXZJBYTVCB-UHFFFAOYSA-N 1 0 335.368 1.452 20 5 ECBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)NCCC1=CC[NH2+]CC1 ZINC000418925880 438251078 /nfs/dbraw/zinc/25/10/78/438251078.db2.gz SSSXMFOGCDSETO-UHFFFAOYSA-N 1 0 346.387 0.680 20 5 ECBDRO C[C@H](NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000418923244 438251306 /nfs/dbraw/zinc/25/13/06/438251306.db2.gz MQRDKPGDJNCEGJ-GXTWGEPZSA-N 1 0 348.403 0.758 20 5 ECBDRO C[C@H](NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000418923245 438251343 /nfs/dbraw/zinc/25/13/43/438251343.db2.gz MQRDKPGDJNCEGJ-JSGCOSHPSA-N 1 0 348.403 0.758 20 5 ECBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418923254 438251364 /nfs/dbraw/zinc/25/13/64/438251364.db2.gz MRPIJIKJSGWHNZ-KGLIPLIRSA-N 1 0 346.387 0.606 20 5 ECBDRO [NH3+]C[C@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000368377145 438322470 /nfs/dbraw/zinc/32/24/70/438322470.db2.gz LVHNKMMAKSSWMV-ZDUSSCGKSA-N 1 0 331.332 0.580 20 5 ECBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000351766509 438334729 /nfs/dbraw/zinc/33/47/29/438334729.db2.gz WLULDJKLWILXII-CMPLNLGQSA-N 1 0 330.348 0.985 20 5 ECBDRO CO[C@@H]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000359210832 438379384 /nfs/dbraw/zinc/37/93/84/438379384.db2.gz IZJIBHLSKBTYIV-QWHCGFSZSA-N 1 0 336.392 0.996 20 5 ECBDRO C[C@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC2(CCOCC2)O1 ZINC000369130427 438426914 /nfs/dbraw/zinc/42/69/14/438426914.db2.gz NSHXFLGTLMIRPW-GXTWGEPZSA-N 1 0 340.380 0.422 20 5 ECBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000389889554 438429814 /nfs/dbraw/zinc/42/98/14/438429814.db2.gz JSHUTZJTPOWGFO-NSHDSACASA-N 1 0 329.378 0.560 20 5 ECBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420454003 438408960 /nfs/dbraw/zinc/40/89/60/438408960.db2.gz KXBMKGFENGNLDO-SECBINFHSA-N 1 0 349.796 0.905 20 5 ECBDRO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000369781334 438513673 /nfs/dbraw/zinc/51/36/73/438513673.db2.gz DCEFLSSYGFYLIU-ZFWWWQNUSA-N 1 0 349.395 0.525 20 5 ECBDRO Cc1c(CC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cccc1[N+](=O)[O-] ZINC000422756297 438605198 /nfs/dbraw/zinc/60/51/98/438605198.db2.gz GUSSMJAGFANNPZ-AWEZNQCLSA-N 1 0 348.403 0.759 20 5 ECBDRO CN(CC[NH+](C)C)C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000443230830 438649437 /nfs/dbraw/zinc/64/94/37/438649437.db2.gz ZLEMBTMLTBTZIF-UHFFFAOYSA-N 1 0 337.380 0.414 20 5 ECBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)/C=C\c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000493866743 438653939 /nfs/dbraw/zinc/65/39/39/438653939.db2.gz DFJBACXJWQTUIQ-UUSXEQNQSA-N 1 0 330.344 0.378 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCCN2CCO)s1 ZINC000451671650 438705993 /nfs/dbraw/zinc/70/59/93/438705993.db2.gz QLRNHJDDJKLDKZ-SNVBAGLBSA-N 1 0 349.434 0.781 20 5 ECBDRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445004360 438664801 /nfs/dbraw/zinc/66/48/01/438664801.db2.gz GLNUJYBQKKCBKO-UHFFFAOYSA-N 1 0 326.272 1.528 20 5 ECBDRO Nc1c(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc(F)cc1[N+](=O)[O-] ZINC000452388717 438659347 /nfs/dbraw/zinc/65/93/47/438659347.db2.gz KFCVSBQOJFVFLD-LLVKDONJSA-N 1 0 340.355 0.893 20 5 ECBDRO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000454623794 438723001 /nfs/dbraw/zinc/72/30/01/438723001.db2.gz CWXZTYNHSJGUKS-ZDUSSCGKSA-N 1 0 348.407 0.916 20 5 ECBDRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000575174860 438741004 /nfs/dbraw/zinc/74/10/04/438741004.db2.gz WYMVUIBXCWOPJN-NWDGAFQWSA-N 1 0 346.405 0.747 20 5 ECBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@]12CCCO2 ZINC000575258723 438744167 /nfs/dbraw/zinc/74/41/67/438744167.db2.gz XDMLWACUOLNSNV-LXTVHRRPSA-N 1 0 340.380 0.468 20 5 ECBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@]12CCCO2 ZINC000575258722 438744294 /nfs/dbraw/zinc/74/42/94/438744294.db2.gz XDMLWACUOLNSNV-BYNSBNAKSA-N 1 0 340.380 0.468 20 5 ECBDRO O=C(NC[C@H]1C[NH2+]CCCO1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000514992878 438844881 /nfs/dbraw/zinc/84/48/81/438844881.db2.gz ZBKGHKBWVJEXIM-LLVKDONJSA-N 1 0 337.332 0.474 20 5 ECBDRO O=C(c1c[nH]nc1[C@H]1CC[NH2+]C1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000595954064 438898464 /nfs/dbraw/zinc/89/84/64/438898464.db2.gz PMUYLIUZQSHCSQ-JTQLQIEISA-N 1 0 342.359 0.988 20 5 ECBDRO [NH3+]C1(CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000595966703 438904848 /nfs/dbraw/zinc/90/48/48/438904848.db2.gz MAQBRUSXRIXKKQ-UHFFFAOYSA-N 1 0 349.391 0.782 20 5 ECBDRO C[NH+](C)CCCNC(=O)Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000515843211 438880873 /nfs/dbraw/zinc/88/08/73/438880873.db2.gz UXQQYSRPHFXHSB-UHFFFAOYSA-N 1 0 349.347 0.479 20 5 ECBDRO COc1ccc(NC(=O)CNC2(CO)CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000595902843 438882342 /nfs/dbraw/zinc/88/23/42/438882342.db2.gz UUIKYQSYHNYLHE-UHFFFAOYSA-N 1 0 338.364 0.246 20 5 ECBDRO C[NH+](C)CCC[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000595906826 438884480 /nfs/dbraw/zinc/88/44/80/438884480.db2.gz OHXPTJLNQKTBAS-CABCVRRESA-N 1 0 341.412 0.195 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000589925680 438891039 /nfs/dbraw/zinc/89/10/39/438891039.db2.gz OAEWFMQHIFTGAH-CMPLNLGQSA-N 1 0 341.389 0.928 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2CC3CC2(C[NH3+])C3)ccc1[N+](=O)[O-] ZINC000595942891 438892382 /nfs/dbraw/zinc/89/23/82/438892382.db2.gz LTUPZAJKIIDDQM-UHFFFAOYSA-N 1 0 332.360 0.583 20 5 ECBDRO C[C@]1(NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000595992853 438910315 /nfs/dbraw/zinc/91/03/15/438910315.db2.gz SXIZYAGNSLITAD-HNNXBMFYSA-N 1 0 335.364 0.262 20 5 ECBDRO COc1cccc(C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC000578452952 438926236 /nfs/dbraw/zinc/92/62/36/438926236.db2.gz ZINJAXXYJPTEHR-MRXNPFEDSA-N 1 0 335.360 0.790 20 5 ECBDRO NC(=O)c1cc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000596111622 438926984 /nfs/dbraw/zinc/92/69/84/438926984.db2.gz AJUORFJYIVBHDQ-CABCVRRESA-N 1 0 334.376 0.729 20 5 ECBDRO Cc1c(C(=O)N[C@H](CO)C[NH+](C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000590548853 438931338 /nfs/dbraw/zinc/93/13/38/438931338.db2.gz GUBXNMCPGTUNIZ-NSHDSACASA-N 1 0 348.363 0.136 20 5 ECBDRO CC(=O)Nc1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000565829060 438982428 /nfs/dbraw/zinc/98/24/28/438982428.db2.gz SDEHZRZNZXDGGQ-ZDUSSCGKSA-N 1 0 334.336 0.295 20 5 ECBDRO CC[NH2+]CCCNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000580072038 439061798 /nfs/dbraw/zinc/06/17/98/439061798.db2.gz YXOJHASEHLILNG-UHFFFAOYSA-N 1 0 336.348 0.436 20 5 ECBDRO Cn1c2cc([N+](=O)[O-])c(N3CC[C@@H]4CC[NH2+][C@@H]4C3)cc2n(C)c1=O ZINC000591436935 439014760 /nfs/dbraw/zinc/01/47/60/439014760.db2.gz DERJBUUJMPWJGQ-WDEREUQCSA-N 1 0 331.376 0.973 20 5 ECBDRO NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000591439071 439015607 /nfs/dbraw/zinc/01/56/07/439015607.db2.gz SJJJFIFDOPGVQC-RNCFNFMXSA-N 1 0 326.378 0.430 20 5 ECBDRO C[C@@H](CO)C[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591477994 439018802 /nfs/dbraw/zinc/01/88/02/439018802.db2.gz XRJFCVPBTYDWJU-LLVKDONJSA-N 1 0 331.394 0.433 20 5 ECBDRO NC(=O)c1ccnc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000519182014 439025048 /nfs/dbraw/zinc/02/50/48/439025048.db2.gz ZIPHMGVKNZCJFF-GFCCVEGCSA-N 1 0 349.391 0.780 20 5 ECBDRO COc1cc(C(=O)NC[C@@H]2C[NH2+]CCO2)cc([N+](=O)[O-])c1OC ZINC000521611772 439125109 /nfs/dbraw/zinc/12/51/09/439125109.db2.gz UMPBXZFFZJYGIM-JTQLQIEISA-N 1 0 325.321 0.330 20 5 ECBDRO CCc1ccc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000580890169 439144351 /nfs/dbraw/zinc/14/43/51/439144351.db2.gz HRNOBMBWPPXZFO-CQSZACIVSA-N 1 0 345.421 0.748 20 5 ECBDRO COCC[NH2+]C1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000568057147 439209416 /nfs/dbraw/zinc/20/94/16/439209416.db2.gz SLJRHSSJCBTWSQ-UHFFFAOYSA-N 1 0 344.393 0.379 20 5 ECBDRO COC(=O)c1cc(C(=O)N2CCCO[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000592343027 439210248 /nfs/dbraw/zinc/21/02/48/439210248.db2.gz ZIZFEZXPRXAZFJ-ZDUSSCGKSA-N 1 0 337.332 0.571 20 5 ECBDRO Cc1ccc(C)c(S(=O)(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000592373782 439212063 /nfs/dbraw/zinc/21/20/63/439212063.db2.gz BLSZTXVTQHKZHX-NWDGAFQWSA-N 1 0 343.405 0.948 20 5 ECBDRO C[C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CO1 ZINC000592363457 439212570 /nfs/dbraw/zinc/21/25/70/439212570.db2.gz ZBNWEDGUSWEOHR-WDEREUQCSA-N 1 0 329.378 0.640 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000592375894 439213896 /nfs/dbraw/zinc/21/38/96/439213896.db2.gz SBFYYLZBZIDPHL-ZJUUUORDSA-N 1 0 329.378 0.974 20 5 ECBDRO COCC[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000592385263 439215664 /nfs/dbraw/zinc/21/56/64/439215664.db2.gz CZKXVPRIEKOKIV-UHFFFAOYSA-N 1 0 333.366 0.118 20 5 ECBDRO O=[N+]([O-])c1c(N[C@H]2CC[N@@H+](C3CC3)C2)ncnc1N1CCOCC1 ZINC000598587868 439283461 /nfs/dbraw/zinc/28/34/61/439283461.db2.gz FUEGZLGSKVSFOT-NSHDSACASA-N 1 0 334.380 0.870 20 5 ECBDRO COc1ccc(CC(=O)N(C)CCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000592469456 439233703 /nfs/dbraw/zinc/23/37/03/439233703.db2.gz QDBBHGLUAOJONF-UHFFFAOYSA-N 1 0 336.392 0.510 20 5 ECBDRO C[C@H]([NH3+])[C@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCO1 ZINC000592475506 439237171 /nfs/dbraw/zinc/23/71/71/439237171.db2.gz LQDQGQZCUUQQDP-TUKIKUTGSA-N 1 0 334.376 0.748 20 5 ECBDRO Cc1c(C(=O)N[C@H](C)[C@H](C)[NH3+])cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000592556894 439252559 /nfs/dbraw/zinc/25/25/59/439252559.db2.gz MROPXHHECAWQBC-JGVFFNPUSA-N 1 0 330.366 0.016 20 5 ECBDRO C[C@@H]1COCCN1CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000582057280 439284263 /nfs/dbraw/zinc/28/42/63/439284263.db2.gz BYTYYQQRORFXFE-HIFRSBDPSA-N 1 0 339.392 0.645 20 5 ECBDRO CCNC(=O)CN1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000604441319 439315135 /nfs/dbraw/zinc/31/51/35/439315135.db2.gz IPBHZEKIOZFOFG-UHFFFAOYSA-N 1 0 337.380 0.217 20 5 ECBDRO [NH3+][C@H]1C[C@H]2CN(c3ccc4ncccc4c3[N+](=O)[O-])CCN2C1=O ZINC000569355532 439325390 /nfs/dbraw/zinc/32/53/90/439325390.db2.gz PWSUAILHMQBVGR-JQWIXIFHSA-N 1 0 327.344 0.891 20 5 ECBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000592870046 439295052 /nfs/dbraw/zinc/29/50/52/439295052.db2.gz CDHAPCKGVFYSCZ-SNVBAGLBSA-N 1 0 335.364 0.369 20 5 ECBDRO C[C@H]1[NH2+]CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000598666199 439299438 /nfs/dbraw/zinc/29/94/38/439299438.db2.gz VSVWQWACHPIJNK-GHMZBOCLSA-N 1 0 335.364 0.925 20 5 ECBDRO [NH3+]CC12CC(C1)CN2C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598667571 439300351 /nfs/dbraw/zinc/30/03/51/439300351.db2.gz FXVPFJAHBMYQTH-UHFFFAOYSA-N 1 0 333.348 0.666 20 5 ECBDRO CO[C@@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H](C[NH3+])C1 ZINC000582235994 439305420 /nfs/dbraw/zinc/30/54/20/439305420.db2.gz MUFMXFWLLPRQNO-VHSXEESVSA-N 1 0 337.332 0.902 20 5 ECBDRO C[C@@H]1CCCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000599103689 439359013 /nfs/dbraw/zinc/35/90/13/439359013.db2.gz XUMUQHCTTJPLKG-NXEZZACHSA-N 1 0 331.398 0.466 20 5 ECBDRO C[C@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599106897 439360089 /nfs/dbraw/zinc/36/00/89/439360089.db2.gz JFVPOZNGHQQKLM-CABZTGNLSA-N 1 0 331.398 0.514 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000599106758 439360541 /nfs/dbraw/zinc/36/05/41/439360541.db2.gz GYHWWEVXXMAUCE-WDEREUQCSA-N 1 0 343.409 0.339 20 5 ECBDRO C[NH2+]CCOCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000599107844 439360676 /nfs/dbraw/zinc/36/06/76/439360676.db2.gz NXBGERCSUYAFML-UHFFFAOYSA-N 1 0 347.393 0.460 20 5 ECBDRO Cc1cc(C)c(S(=O)(=O)NC2(C[NH3+])CCOCC2)cc1[N+](=O)[O-] ZINC000599102341 439357406 /nfs/dbraw/zinc/35/74/06/439357406.db2.gz KGZVNLYSVDAWEB-UHFFFAOYSA-N 1 0 343.405 0.998 20 5 ECBDRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599104915 439358541 /nfs/dbraw/zinc/35/85/41/439358541.db2.gz VXQQUXAVSDKXRY-UHFFFAOYSA-N 1 0 331.398 0.481 20 5 ECBDRO C[NH+](C)CCn1ccc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)n1 ZINC000569824871 439366935 /nfs/dbraw/zinc/36/69/35/439366935.db2.gz WZLCLYPAAPAVRD-UHFFFAOYSA-N 1 0 344.375 0.946 20 5 ECBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC000593649892 439435662 /nfs/dbraw/zinc/43/56/62/439435662.db2.gz LOSHJRQWGYRUJR-SNVBAGLBSA-N 1 0 345.352 0.173 20 5 ECBDRO [NH3+][C@H]1C[C@@H]2CN(c3ccc4cc([N+](=O)[O-])ccc4n3)CCN2C1=O ZINC000583575996 439484770 /nfs/dbraw/zinc/48/47/70/439484770.db2.gz YWYJFIQRPASGNG-OLZOCXBDSA-N 1 0 327.344 0.891 20 5 ECBDRO O=C(N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000593905943 439492344 /nfs/dbraw/zinc/49/23/44/439492344.db2.gz PHYHZAZSRXPEKX-GUYCJALGSA-N 1 0 346.387 0.479 20 5 ECBDRO COc1ncc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1Cl ZINC000583688865 439498975 /nfs/dbraw/zinc/49/89/75/439498975.db2.gz HPOMJYZJHSWGLS-NSHDSACASA-N 1 0 341.755 0.999 20 5 ECBDRO CCO[C@@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C[NH3+] ZINC000593736587 439459048 /nfs/dbraw/zinc/45/90/48/439459048.db2.gz BTGZMWIFYXBKDK-UHOFOFEASA-N 1 0 348.403 0.996 20 5 ECBDRO C[NH+](C)C/C=C\C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000492434649 439536078 /nfs/dbraw/zinc/53/60/78/439536078.db2.gz DMTMDDUFLVVLQH-ARJAWSKDSA-N 1 0 341.389 0.603 20 5 ECBDRO CC(=O)NC[C@H]1CCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599705611 439539569 /nfs/dbraw/zinc/53/95/69/439539569.db2.gz XQXKEVLCQCXFGK-OCCSQVGLSA-N 1 0 325.369 0.143 20 5 ECBDRO CNc1nccc(C(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000594333114 439542153 /nfs/dbraw/zinc/54/21/53/439542153.db2.gz UNSYNVAAPQXCNS-GHMZBOCLSA-N 1 0 339.421 1.149 20 5 ECBDRO CNc1nccc(C(=O)Nc2ccnn2CC[NH+](C)C)c1[N+](=O)[O-] ZINC000572056787 439553479 /nfs/dbraw/zinc/55/34/79/439553479.db2.gz ALYJVNQLWXBLFE-UHFFFAOYSA-N 1 0 333.352 1.042 20 5 ECBDRO CN1C[C@H]([N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCC1=O ZINC000572100431 439557225 /nfs/dbraw/zinc/55/72/25/439557225.db2.gz XEEYVCFNHLQGLP-ZIAGYGMSSA-N 1 0 337.376 0.887 20 5 ECBDRO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000609393470 439569245 /nfs/dbraw/zinc/56/92/45/439569245.db2.gz WJNFKBWIWDAOOS-CQSZACIVSA-N 1 0 346.387 0.925 20 5 ECBDRO CCc1n[nH]c(C(=O)N[C@@H]2CCC[N@H+](CCOC)C2)c1[N+](=O)[O-] ZINC000609479026 439571635 /nfs/dbraw/zinc/57/16/35/439571635.db2.gz QYAVXQDYTAKDMO-SNVBAGLBSA-N 1 0 325.369 0.721 20 5 ECBDRO CN(CCOCC[NH3+])C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599899215 439571788 /nfs/dbraw/zinc/57/17/88/439571788.db2.gz CSSQPSTUUZVBND-UHFFFAOYSA-N 1 0 344.755 0.620 20 5 ECBDRO C[NH+](C)[C@H]1C[C@@H](CNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 ZINC000594592582 439579565 /nfs/dbraw/zinc/57/95/65/439579565.db2.gz SGOKKSOXRCRHHQ-JGZJWPJOSA-N 1 0 328.394 0.994 20 5 ECBDRO [NH3+][C@H]1C[C@@H]2CN(c3ncnc4sc([N+](=O)[O-])cc43)CCN2C1=O ZINC000594702757 439593785 /nfs/dbraw/zinc/59/37/85/439593785.db2.gz XGHNABXNDCTHIP-APPZFPTMSA-N 1 0 334.361 0.348 20 5 ECBDRO C[C@@H](NC(=O)/C=C\c1cccc([N+](=O)[O-])c1)C(=O)NCC[NH+](C)C ZINC000493069769 439598428 /nfs/dbraw/zinc/59/84/28/439598428.db2.gz JBKKHXNSQQBZDN-QDZRJHCZSA-N 1 0 334.376 0.791 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000600071041 439608094 /nfs/dbraw/zinc/60/80/94/439608094.db2.gz UGWQBSMQINZOKO-GFCCVEGCSA-N 1 0 336.348 0.025 20 5 ECBDRO CN(C)C(=O)c1cccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000610335829 439610307 /nfs/dbraw/zinc/61/03/07/439610307.db2.gz VRVPXFYMSCQPLE-HNNXBMFYSA-N 1 0 347.375 0.644 20 5 ECBDRO CCn1cc(S(=O)(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)c([N+](=O)[O-])n1 ZINC000611106740 439672495 /nfs/dbraw/zinc/67/24/95/439672495.db2.gz FLFHGKHQPIXMOY-VHSXEESVSA-N 1 0 343.409 0.715 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000595125375 439657576 /nfs/dbraw/zinc/65/75/76/439657576.db2.gz HYOBQOSBVDZZKW-SNVBAGLBSA-N 1 0 338.364 0.998 20 5 ECBDRO Cc1noc(CN2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1[N+](=O)[O-] ZINC000595346359 439709217 /nfs/dbraw/zinc/70/92/17/439709217.db2.gz UYMMEFJKOUWAIO-LBPRGKRZSA-N 1 0 337.380 0.630 20 5 ECBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000611185089 439677404 /nfs/dbraw/zinc/67/74/04/439677404.db2.gz UVUYQIQWXMAGOK-GJZGRUSLSA-N 1 0 336.392 0.288 20 5 ECBDRO CSC[C@@H](O)C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000574151951 439686768 /nfs/dbraw/zinc/68/67/68/439686768.db2.gz XZSXZDFJGLMNTF-JTQLQIEISA-N 1 0 349.434 0.187 20 5 ECBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000574308179 439697376 /nfs/dbraw/zinc/69/73/76/439697376.db2.gz GLMLIWRKECMTAE-CYBMUJFWSA-N 1 0 334.376 0.877 20 5 ECBDRO C[N@@H+]1CC[C@@]2(CCN(c3cccc([N+](=O)[O-])c3S(N)(=O)=O)C2)C1 ZINC000574305840 439698080 /nfs/dbraw/zinc/69/80/80/439698080.db2.gz CTOIPUAEWZAQFJ-CQSZACIVSA-N 1 0 340.405 0.774 20 5 ECBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000618924324 440178047 /nfs/dbraw/zinc/17/80/47/440178047.db2.gz XNOZYJMLDVPJDA-INIZCTEOSA-N 1 0 337.376 0.889 20 5 ECBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000618923306 440178813 /nfs/dbraw/zinc/17/88/13/440178813.db2.gz DTGKHQHABHERRK-INIZCTEOSA-N 1 0 337.376 0.889 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@]2(CO)CCOc3ccccc32)c1 ZINC000281777134 320601512 /nfs/dbraw/zinc/60/15/12/320601512.db2.gz SSRLLKWEHWPMKF-CZUORRHYSA-N 1 0 348.359 0.412 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000323151847 320719242 /nfs/dbraw/zinc/71/92/42/320719242.db2.gz IOPQHNDRZOROMR-CMPLNLGQSA-N 1 0 341.389 0.976 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000339325936 320978390 /nfs/dbraw/zinc/97/83/90/320978390.db2.gz UNIFZUAJCMXBEI-LBPRGKRZSA-N 1 0 336.392 0.969 20 5 ECBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H](OCC[NH+](C)C)C2)n1 ZINC000342641538 321097016 /nfs/dbraw/zinc/09/70/16/321097016.db2.gz WUROJWXMQLGELN-LLVKDONJSA-N 1 0 338.364 0.933 20 5 ECBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000344653955 321158976 /nfs/dbraw/zinc/15/89/76/321158976.db2.gz BQUNNOXZRZGFSD-AWEZNQCLSA-N 1 0 336.392 0.993 20 5 ECBDRO CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N[C@H](C)C[NH3+] ZINC000347643549 321247255 /nfs/dbraw/zinc/24/72/55/321247255.db2.gz AQSIEDQTXNTOBA-RKDXNWHRSA-N 1 0 344.393 0.503 20 5 ECBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000352108366 321349192 /nfs/dbraw/zinc/34/91/92/321349192.db2.gz XNCXBQOQSWYFKQ-HNNXBMFYSA-N 1 0 325.365 0.793 20 5 ECBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000363027914 321653872 /nfs/dbraw/zinc/65/38/72/321653872.db2.gz JBMYHRCSZUPZHJ-UONOGXRCSA-N 1 0 337.380 0.239 20 5 ECBDRO O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000366478121 321669542 /nfs/dbraw/zinc/66/95/42/321669542.db2.gz UKJYGMXISGBEDQ-HBYGRHMLSA-N 1 0 346.343 0.617 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000372910369 321790738 /nfs/dbraw/zinc/79/07/38/321790738.db2.gz IUFAEHDJSCDUMZ-SLEUVZQESA-N 1 0 346.387 0.924 20 5 ECBDRO O=C(CN1CCC[C@H]2C[NH2+]C[C@H]21)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000420333185 321893448 /nfs/dbraw/zinc/89/34/48/321893448.db2.gz FDXCAAYDPICIPB-GXFFZTMASA-N 1 0 348.359 0.946 20 5 ECBDRO CC[NH+](CC)CCNC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000559354119 322218720 /nfs/dbraw/zinc/21/87/20/322218720.db2.gz KHETZMVBVHYUOU-UHFFFAOYSA-N 1 0 348.403 0.938 20 5 ECBDRO O=C(CC[NH2+]CCN1CCC(O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000563811018 322346233 /nfs/dbraw/zinc/34/62/33/322346233.db2.gz QCNLIASOHPPMOR-UHFFFAOYSA-N 1 0 336.392 0.970 20 5 ECBDRO COc1cc(C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000565207317 322439681 /nfs/dbraw/zinc/43/96/81/322439681.db2.gz ICMXUWVFWHWIJS-JTQLQIEISA-N 1 0 338.364 0.400 20 5 ECBDRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000566092127 322499926 /nfs/dbraw/zinc/49/99/26/322499926.db2.gz GTHONIOETSVJBJ-CYBMUJFWSA-N 1 0 346.387 0.690 20 5 ECBDRO CC(C)c1n[nH]c(C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)c1[N+](=O)[O-] ZINC000566518556 322540765 /nfs/dbraw/zinc/54/07/65/322540765.db2.gz LADMGLCZOUYNSW-VIFPVBQESA-N 1 0 340.384 0.237 20 5 ECBDRO CC(C)N1CC[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1=O ZINC000569715969 322662884 /nfs/dbraw/zinc/66/28/84/322662884.db2.gz XCYKOTWKOJSMIS-QWHCGFSZSA-N 1 0 337.376 0.933 20 5 ECBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000570936096 322704606 /nfs/dbraw/zinc/70/46/06/322704606.db2.gz SEBSPVKJKUIGLN-NSHDSACASA-N 1 0 325.369 0.891 20 5 ECBDRO CO[C@@H]1COC[C@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000575120684 322791167 /nfs/dbraw/zinc/79/11/67/322791167.db2.gz FIEYLJFXKVCIME-BXUZGUMPSA-N 1 0 337.332 0.896 20 5 ECBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000575936112 322798649 /nfs/dbraw/zinc/79/86/49/322798649.db2.gz LUWJTXMHSFPVRN-MWLCHTKSSA-N 1 0 338.751 0.632 20 5 ECBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)c1 ZINC000576257911 322804226 /nfs/dbraw/zinc/80/42/26/322804226.db2.gz IPQHUWMXGGWZHT-MRXNPFEDSA-N 1 0 335.360 0.790 20 5 ECBDRO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000577385585 322833736 /nfs/dbraw/zinc/83/37/36/322833736.db2.gz NIBLIMSGYVBJNU-QJPTWQEYSA-N 1 0 344.389 0.357 20 5 ECBDRO C[NH+](C)CCOc1cccc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)c1 ZINC000340554075 517902442 /nfs/dbraw/zinc/90/24/42/517902442.db2.gz QXYJSBXURBGZNW-UHFFFAOYSA-N 1 0 348.363 0.443 20 5 ECBDRO NC(=O)[C@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000130511152 534446524 /nfs/dbraw/zinc/44/65/24/534446524.db2.gz PGLNLUUPCLVPMB-FRRDWIJNSA-N 1 0 337.376 0.968 20 5 ECBDRO COc1cc(CCNC(=O)[C@@H]2C[NH2+]CCO2)c([N+](=O)[O-])cc1OC 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WFDLKLAILWVYRO-JTQLQIEISA-N 1 0 348.367 0.693 20 5 ECBDRO C[C@@H]1CN(C(=O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCO1 ZINC000785857348 578776442 /nfs/dbraw/zinc/77/64/42/578776442.db2.gz IBWKXTJEMBOOMH-GFCCVEGCSA-N 1 0 337.380 0.676 20 5 ECBDRO COCC[N@H+](C)CCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778253934 579307449 /nfs/dbraw/zinc/30/74/49/579307449.db2.gz JUDIVBQSWLAPHA-UHFFFAOYSA-N 1 0 339.377 0.908 20 5 ECBDRO Cc1nn(CN2CC[NH+](CCC(=O)N(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000760414074 579509750 /nfs/dbraw/zinc/50/97/50/579509750.db2.gz JBJYCSZIFYQWIN-UHFFFAOYSA-N 1 0 338.412 0.462 20 5 ECBDRO O=[N+]([O-])c1ccc(N2CCC[N@@H+](CCO)CC2)c(-c2nn[nH]n2)c1 ZINC000738368899 579624394 /nfs/dbraw/zinc/62/43/94/579624394.db2.gz FLEIZKSHBWIEOR-UHFFFAOYSA-N 1 0 333.352 0.279 20 5 ECBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)N(C)C2C[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC000842867180 589040023 /nfs/dbraw/zinc/04/00/23/589040023.db2.gz NLYKEJIXNOEUCS-UHFFFAOYSA-N 1 0 344.349 0.712 20 5 ECBDRO Cn1cc(C[C@@H](CO)C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000843111612 589050910 /nfs/dbraw/zinc/05/09/10/589050910.db2.gz HKWAJUUBPGGXJR-CZUORRHYSA-N 1 0 334.376 0.803 20 5 ECBDRO Cc1c(-c2nc(CC[NH3+])no2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000843132182 589051807 /nfs/dbraw/zinc/05/18/07/589051807.db2.gz LZGLZONLVZABMJ-UHFFFAOYSA-N 1 0 327.322 0.102 20 5 ECBDRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000843480886 589070889 /nfs/dbraw/zinc/07/08/89/589070889.db2.gz YYQOUZKNLUNICT-PODYEWJSSA-N 1 0 333.344 0.972 20 5 ECBDRO COc1ccc([C@@H](C[NH2+]CC[N+](=O)[O-])N2CCOCC2)cc1OC ZINC000905028065 586866341 /nfs/dbraw/zinc/86/63/41/586866341.db2.gz YRZMERFIVDMDDR-CQSZACIVSA-N 1 0 339.392 0.943 20 5 ECBDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cn2)CC1 ZINC000839538902 586878381 /nfs/dbraw/zinc/87/83/81/586878381.db2.gz KDVFTEMXOGZUQO-ZIAGYGMSSA-N 1 0 333.392 0.505 20 5 ECBDRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CC3[N+](=O)[O-])cc2)C1 ZINC000839621841 586883887 /nfs/dbraw/zinc/88/38/87/586883887.db2.gz JHCWZIQEJNZDMP-NWANDNLSSA-N 1 0 346.387 0.988 20 5 ECBDRO COc1cc(S(=O)(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000813742052 587261422 /nfs/dbraw/zinc/26/14/22/587261422.db2.gz XXWXSSVCRRTWQX-GWCFXTLKSA-N 1 0 341.389 0.928 20 5 ECBDRO CN1CCN(C(=O)CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819062984 587466334 /nfs/dbraw/zinc/46/63/34/587466334.db2.gz VFXUYDRHMSZCQJ-OAHLLOKOSA-N 1 0 336.392 0.382 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000819191652 587471862 /nfs/dbraw/zinc/47/18/62/587471862.db2.gz SSEXWZOACLQJHB-AWEZNQCLSA-N 1 0 335.320 0.893 20 5 ECBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825747377 587959271 /nfs/dbraw/zinc/95/92/71/587959271.db2.gz UPFVGZKIKYEBLL-HIFRSBDPSA-N 1 0 337.376 0.855 20 5 ECBDRO C[NH+]1CCN(C[C@@H](O)COc2ccc([N+](=O)[O-])c(F)c2F)CC1 ZINC000844949451 589126419 /nfs/dbraw/zinc/12/64/19/589126419.db2.gz PYHAMYVAQXGISU-SNVBAGLBSA-N 1 0 331.319 0.860 20 5 ECBDRO NC(=O)[C@@]1([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCOC1 ZINC000847053249 589233905 /nfs/dbraw/zinc/23/39/05/589233905.db2.gz JHCDBYLYBPOXOZ-CQSZACIVSA-N 1 0 340.311 0.297 20 5 ECBDRO COc1cc(S(=O)(=O)NCC23CC(C2)C[NH2+]3)ccc1[N+](=O)[O-] ZINC000850592550 589369959 /nfs/dbraw/zinc/36/99/59/589369959.db2.gz OTLTWKWGJANZIB-UHFFFAOYSA-N 1 0 327.362 0.634 20 5 ECBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000850854592 589387938 /nfs/dbraw/zinc/38/79/38/589387938.db2.gz OJDDJNMTZFLETM-UHFFFAOYSA-N 1 0 336.323 0.849 20 5 ECBDRO CN(CC1C[NH+](C)C1)CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000853553564 589547961 /nfs/dbraw/zinc/54/79/61/589547961.db2.gz FRFCZIYLOHCAMM-MRXNPFEDSA-N 1 0 334.376 0.983 20 5 ECBDRO C[N@@H+]1CC[C@@H]2CN(c3ncnc(N4CCOCC4)c3[N+](=O)[O-])CC[C@@H]21 ZINC000866206328 589729042 /nfs/dbraw/zinc/72/90/42/589729042.db2.gz CTCJJPNQWNXADQ-OLZOCXBDSA-N 1 0 348.407 0.752 20 5 ECBDRO C[C@H]([NH2+]C[C@]12COCCN1C(=O)COC2)c1cccc([N+](=O)[O-])c1 ZINC000866556238 589750526 /nfs/dbraw/zinc/75/05/26/589750526.db2.gz QXUNTXXNAXELDY-BLLLJJGKSA-N 1 0 335.360 0.873 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)N(C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000858640647 589763191 /nfs/dbraw/zinc/76/31/91/589763191.db2.gz VDJXDSCIWGVMDK-QMMMGPOBSA-N 1 0 331.350 0.349 20 5 ECBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)OCC[NH+]1CCC1 ZINC000861386055 589845173 /nfs/dbraw/zinc/84/51/73/589845173.db2.gz JGWGBLNBFWVATO-UHFFFAOYSA-N 1 0 335.316 0.569 20 5 ECBDRO COCCN(CC1CC[NH+](C)CC1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000869769495 589978005 /nfs/dbraw/zinc/97/80/05/589978005.db2.gz GZANUGLLXJYLOB-UHFFFAOYSA-N 1 0 339.396 0.608 20 5 ECBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCC[N@H+]1CC[C@H](O)C1 ZINC000863831630 590041941 /nfs/dbraw/zinc/04/19/41/590041941.db2.gz LQARYMLAQUYXTO-ZDUSSCGKSA-N 1 0 333.348 0.127 20 5 ECBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H](CO)C[NH+]1CCCC1 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BICMVDLZTIFDTO-OKILXGFUSA-N 1 0 340.405 0.952 20 5 ECBDRO COc1nccc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC000940107063 610210006 /nfs/dbraw/zinc/21/00/06/610210006.db2.gz GAULRIYRDUWXQT-CHWSQXEVSA-N 1 0 349.391 0.621 20 5 ECBDRO CCS(=O)(=O)CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665077 611118692 /nfs/dbraw/zinc/11/86/92/611118692.db2.gz XKMREYAKWQJFRW-LLVKDONJSA-N 1 0 328.394 0.911 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[NH2+]C[C@@H]1C(F)F ZINC000923355002 611233223 /nfs/dbraw/zinc/23/32/23/611233223.db2.gz YNNRAMNYODWFAP-CMPLNLGQSA-N 1 0 331.319 0.873 20 5 ECBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923354614 611233354 /nfs/dbraw/zinc/23/33/54/611233354.db2.gz CCINZZMNQXMGNP-AVGNSLFASA-N 1 0 327.356 0.966 20 5 ECBDRO O=C(CN1CCC[C@@H]([NH2+]CCO)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000923403124 611238718 /nfs/dbraw/zinc/23/87/18/611238718.db2.gz CBUCYAIMHDPVLA-CQSZACIVSA-N 1 0 348.403 0.530 20 5 ECBDRO [NH3+]C[C@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000842510462 611314030 /nfs/dbraw/zinc/31/40/30/611314030.db2.gz SAQFGBPVECHBBP-ZDUSSCGKSA-N 1 0 333.348 0.521 20 5 ECBDRO Nc1ccc(C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1[N+](=O)[O-] ZINC000842512055 611314512 /nfs/dbraw/zinc/31/45/12/611314512.db2.gz ZYJSYUZHXGSYHE-LBPRGKRZSA-N 1 0 345.363 0.705 20 5 ECBDRO COC(=O)CCNC(=O)CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858541687 611324835 /nfs/dbraw/zinc/32/48/35/611324835.db2.gz NGKNWDYABYMICU-JTQLQIEISA-N 1 0 338.364 0.897 20 5 ECBDRO C[N@H+](C[C@H](O)CN1CCOCC1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246288580 612884708 /nfs/dbraw/zinc/88/47/08/612884708.db2.gz OPUGBCFTDRNYOP-JKSUJKDBSA-N 1 0 339.392 0.253 20 5 ECBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC001164667413 719411486 /nfs/dbraw/zinc/41/14/86/719411486.db2.gz FQXUTYLXQWQKAK-OLZOCXBDSA-N 1 0 336.348 0.686 20 5 ECBDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001164730023 720517520 /nfs/dbraw/zinc/51/75/20/720517520.db2.gz PWYUGYVZNGJUHH-NSHDSACASA-N 1 0 331.380 0.967 20 5 ECBDRO Cn1cnnc1C1CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1 ZINC001167081525 731999810 /nfs/dbraw/zinc/99/98/10/731999810.db2.gz KESMROHDJGZACL-UHFFFAOYSA-N 1 0 344.379 0.584 20 5 ECBDRO Cc1cc(C(=O)N[C@@H]2[C@H]3CN(Cc4c([N+](=O)[O-])ncn4C)C[C@H]32)no1 ZINC001025668388 739848329 /nfs/dbraw/zinc/84/83/29/739848329.db2.gz FVTKLGQMTLNLTH-IWIIMEHWSA-N 1 0 346.347 0.485 20 5 ECBDRO COC(=O)[C@@H](CCC[NH3+])Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001167902079 751944341 /nfs/dbraw/zinc/94/43/41/751944341.db2.gz UFTJJJRJAVVRJI-LLVKDONJSA-N 1 0 345.377 0.691 20 5 ECBDRO COc1nscc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000983657813 745010359 /nfs/dbraw/zinc/01/03/59/745010359.db2.gz NSPFICWUAOBPLU-HJQYOEGKSA-N 1 0 340.405 0.801 20 5 ECBDRO Cc1ncc(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC001001399144 746340360 /nfs/dbraw/zinc/34/03/60/746340360.db2.gz JDZOLMRSJXYVIL-HUUCEWRRSA-N 1 0 333.392 0.778 20 5 ECBDRO O=C(Cn1cnnn1)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001002303438 747195088 /nfs/dbraw/zinc/19/50/88/747195088.db2.gz NCYRHHMGYCSVBE-UHFFFAOYSA-N 1 0 345.363 0.362 20 5 ECBDRO C[N@H+](Cc1cc2n(n1)CCC2)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985424963 747972128 /nfs/dbraw/zinc/97/21/28/747972128.db2.gz CQCUDPMVNQDYHK-HZPDHXFCSA-N 1 0 347.419 0.917 20 5 ECBDRO O=C(NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ccn2c[nH+]cc2c1 ZINC001003393417 748501928 /nfs/dbraw/zinc/50/19/28/748501928.db2.gz JCUFTWKTEIICQG-ZIAGYGMSSA-N 1 0 343.343 0.188 20 5 ECBDRO CN(CCN(C)c1ncc([N+](=O)[O-])cc1F)C(=O)CC[NH+](C)C ZINC001105554119 753820205 /nfs/dbraw/zinc/82/02/05/753820205.db2.gz PKVNCXLOFGYLMW-UHFFFAOYSA-N 1 0 327.360 0.975 20 5 ECBDRO CC(C)CN(CC(C)C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126939250 756806862 /nfs/dbraw/zinc/80/68/62/756806862.db2.gz UFGMZEMCLXFQAF-ZIAGYGMSSA-N 1 0 342.440 0.498 20 5 ECBDRO CC(C)(C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)[NH+]1CCCC1 ZINC001011114083 756950411 /nfs/dbraw/zinc/95/04/11/756950411.db2.gz CDCGRVOPDREMHJ-CHWSQXEVSA-N 1 0 338.408 0.197 20 5 ECBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@@H]2C1 ZINC001048814668 757083168 /nfs/dbraw/zinc/08/31/68/757083168.db2.gz WTEVFENFDZHUNZ-YYIAUSFCSA-N 1 0 345.399 0.734 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)c2cccnn2)C1 ZINC001022879386 759240679 /nfs/dbraw/zinc/24/06/79/759240679.db2.gz YYECOTGUGRKOIV-AOOOYVTPSA-N 1 0 331.336 0.169 20 5 ECBDRO Cc1nc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)c(C)o1 ZINC001022883460 759246838 /nfs/dbraw/zinc/24/68/38/759246838.db2.gz JTBKHYHTGYLBRU-PHIMTYICSA-N 1 0 348.363 0.984 20 5 ECBDRO Cc1cccn(CC(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1=O ZINC001127181448 763516624 /nfs/dbraw/zinc/51/66/24/763516624.db2.gz JZWRDZQXZTXDMC-UHFFFAOYSA-N 1 0 344.371 0.971 20 5 ECBDRO COc1cccc(OCC[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC001031661927 766379363 /nfs/dbraw/zinc/37/93/63/766379363.db2.gz NEEFQQJZDBWLHR-HZPDHXFCSA-N 1 0 349.387 0.787 20 5 ECBDRO CC(C)(F)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001055574900 769159224 /nfs/dbraw/zinc/15/92/24/769159224.db2.gz CRAJUCSGEQSLFJ-VXGBXAGGSA-N 1 0 344.387 0.097 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)C2CCOCC2)C1 ZINC001019923062 772028030 /nfs/dbraw/zinc/02/80/30/772028030.db2.gz DQCXKGWPGBRWAJ-HAQNSBGRSA-N 1 0 337.380 0.492 20 5 ECBDRO Cn1nncc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001020118566 772178864 /nfs/dbraw/zinc/17/88/64/772178864.db2.gz XDWNJTATBALRGF-HAQNSBGRSA-N 1 0 330.348 0.774 20 5 ECBDRO O=C(Cn1nccn1)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001020199728 772274062 /nfs/dbraw/zinc/27/40/62/772274062.db2.gz ZVKGQVLCJJQKSE-JOCQHMNTSA-N 1 0 330.348 0.623 20 5 ECBDRO C[NH+](C)CCC(=O)NC1(C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001073015737 789276574 /nfs/dbraw/zinc/27/65/74/789276574.db2.gz QSVBDBHFQKEPFX-VXGBXAGGSA-N 1 0 326.397 0.101 20 5 ECBDRO C[NH+](C)CCC(=O)N1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001073238077 789643837 /nfs/dbraw/zinc/64/38/37/789643837.db2.gz YDHZOCVSISMVGR-VXGBXAGGSA-N 1 0 326.397 0.101 20 5 ECBDRO O=C(NCCN1CC[NH+](CC2CC(F)(F)C2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266283041 835613683 /nfs/dbraw/zinc/61/36/83/835613683.db2.gz BROYHBSBHVZRRR-CHWSQXEVSA-N 1 0 346.378 0.431 20 5 ECBDRO COCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001267920127 838795822 /nfs/dbraw/zinc/79/58/22/838795822.db2.gz JHCFWUIODNUKGH-XYPYZODXSA-N 1 0 325.369 0.492 20 5 ECBDRO C[NH+](C)CCOc1cccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c1 ZINC000354531157 299065522 /nfs/dbraw/zinc/06/55/22/299065522.db2.gz IPIKESLCSBHSPC-UHFFFAOYSA-N 1 0 334.336 0.765 20 5 ECBDRO C[NH2+][C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 ZINC000428442884 210261668 /nfs/dbraw/zinc/26/16/68/210261668.db2.gz WBHGSZMQTNTLNO-JTQLQIEISA-N 1 0 327.362 0.432 20 5 ECBDRO O=C(C[N@H+]1CC[C@H](CO)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000174708719 231286362 /nfs/dbraw/zinc/28/63/62/231286362.db2.gz WZXJDDNOBVGHPP-AWEZNQCLSA-N 1 0 348.403 0.558 20 5 ECBDRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCCNc1ccccc1[N+](=O)[O-] ZINC000354664943 299090000 /nfs/dbraw/zinc/09/00/00/299090000.db2.gz YNDHZXFYJVNLLC-ZDUSSCGKSA-N 1 0 349.391 0.381 20 5 ECBDRO CNC(=O)CCC[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000155292719 529851894 /nfs/dbraw/zinc/85/18/94/529851894.db2.gz GISSRHOWUQLURF-CYBMUJFWSA-N 1 0 325.365 0.793 20 5 ECBDRO C[NH2+]CCCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000178598151 529961770 /nfs/dbraw/zinc/96/17/70/529961770.db2.gz YWSKUKKROOLJST-UHFFFAOYSA-N 1 0 334.376 0.879 20 5 ECBDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000423114566 209700318 /nfs/dbraw/zinc/70/03/18/209700318.db2.gz ZPVFVAALGRYMRX-CYBMUJFWSA-N 1 0 346.387 0.906 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCCC[C@H]1n1cc(CO)nn1 ZINC000355311000 299237475 /nfs/dbraw/zinc/23/74/75/299237475.db2.gz JKMNDYYPLWFOOI-VXGBXAGGSA-N 1 0 335.368 0.686 20 5 ECBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000424216128 283558277 /nfs/dbraw/zinc/55/82/77/283558277.db2.gz RMRQIYOWFYEJNW-ZIAGYGMSSA-N 1 0 349.391 0.780 20 5 ECBDRO CCn1cc(S(=O)(=O)N[C@@H]2CC[NH2+]CC2(C)C)c([N+](=O)[O-])n1 ZINC000420461566 209371059 /nfs/dbraw/zinc/37/10/59/209371059.db2.gz MBTLJLGHLJODPU-SNVBAGLBSA-N 1 0 331.398 0.478 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(CC[NH3+])CCO ZINC000420314309 209352086 /nfs/dbraw/zinc/35/20/86/209352086.db2.gz VOKXDEYJNOOTDK-UHFFFAOYSA-N 1 0 326.353 0.185 20 5 ECBDRO Cc1nc(NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000420234310 209344673 /nfs/dbraw/zinc/34/46/73/209344673.db2.gz BHMOAMANTWOLAX-JTQLQIEISA-N 1 0 334.302 0.941 20 5 ECBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000420186928 209334988 /nfs/dbraw/zinc/33/49/88/209334988.db2.gz CVCSDGSGMWHAAX-RISCZKNCSA-N 1 0 346.387 0.723 20 5 ECBDRO O=C(NCC1=CC[NH2+]CC1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000420135249 209316835 /nfs/dbraw/zinc/31/68/35/209316835.db2.gz GNEMYLMZWXXBGU-UHFFFAOYSA-N 1 0 344.371 0.515 20 5 ECBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000420003887 209273919 /nfs/dbraw/zinc/27/39/19/209273919.db2.gz UGSBLPARGZWAKX-AWEZNQCLSA-N 1 0 348.403 0.854 20 5 ECBDRO COc1c(F)cc(S(=O)(=O)NC[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000193315100 240103874 /nfs/dbraw/zinc/10/38/74/240103874.db2.gz YVQZCBHGWQGVIP-JTQLQIEISA-N 1 0 333.341 0.758 20 5 ECBDRO COC[C@@](C)(CCO)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000132507715 223338597 /nfs/dbraw/zinc/33/85/97/223338597.db2.gz MACTWGYQTZNJTG-OAHLLOKOSA-N 1 0 325.365 0.935 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000419765800 209199707 /nfs/dbraw/zinc/19/97/07/209199707.db2.gz XRYPOFLCVIOGBH-GXFFZTMASA-N 1 0 334.376 0.715 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000419762704 209199523 /nfs/dbraw/zinc/19/95/23/209199523.db2.gz SOWZEVCEYFGHDB-GWCFXTLKSA-N 1 0 334.376 0.634 20 5 ECBDRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000419764675 209199534 /nfs/dbraw/zinc/19/95/34/209199534.db2.gz WIFBMKNLHMIPJN-ZDUSSCGKSA-N 1 0 348.403 0.977 20 5 ECBDRO COc1cc(S(=O)(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1[N+](=O)[O-] ZINC000248588242 243589759 /nfs/dbraw/zinc/58/97/59/243589759.db2.gz GQIIGXFFUZAFRK-ZMLRMANQSA-N 1 0 341.389 0.961 20 5 ECBDRO NC(=O)c1ccc(SCC(=O)NC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000262538057 245024066 /nfs/dbraw/zinc/02/40/66/245024066.db2.gz PYKJKQWUGZLGTP-SNVBAGLBSA-N 1 0 338.389 0.654 20 5 ECBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000262724943 245146629 /nfs/dbraw/zinc/14/66/29/245146629.db2.gz GWGQMKLBCRXXFC-PWSUYJOCSA-N 1 0 330.348 0.903 20 5 ECBDRO CC[N@H+](C)CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000111661370 220177161 /nfs/dbraw/zinc/17/71/61/220177161.db2.gz DSHGCCPDBLDWAV-LLVKDONJSA-N 1 0 338.364 0.860 20 5 ECBDRO NS(=O)(=O)C[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000265212357 247303173 /nfs/dbraw/zinc/30/31/73/247303173.db2.gz LWZIRGRTWIEHMY-GFCCVEGCSA-N 1 0 343.405 0.974 20 5 ECBDRO COCCOC[C@H](O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450557191 211329213 /nfs/dbraw/zinc/32/92/13/211329213.db2.gz BMUGWWFLPCNKSD-TZMCWYRMSA-N 1 0 340.380 0.500 20 5 ECBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000449750840 211296882 /nfs/dbraw/zinc/29/68/82/211296882.db2.gz JUWJTYCLKXFJKF-GFCCVEGCSA-N 1 0 341.389 0.869 20 5 ECBDRO CCc1n[nH]c(C(=O)NC2(CCO)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000444339461 211070403 /nfs/dbraw/zinc/07/04/03/211070403.db2.gz HUCSTWBMQUDKJA-UHFFFAOYSA-N 1 0 325.369 0.457 20 5 ECBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000443873959 211042413 /nfs/dbraw/zinc/04/24/13/211042413.db2.gz FVERHCRARMBDQV-CYBMUJFWSA-N 1 0 337.380 0.505 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c1 ZINC000411953476 208176701 /nfs/dbraw/zinc/17/67/01/208176701.db2.gz UGYVYTPFHHQVTI-XHSDSOJGSA-N 1 0 332.360 0.960 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@](C)(O)CC[NH+](C)C ZINC000429902896 210340695 /nfs/dbraw/zinc/34/06/95/210340695.db2.gz XFDLIOWOBDCWGC-CQSZACIVSA-N 1 0 327.385 0.309 20 5 ECBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000415601202 208553811 /nfs/dbraw/zinc/55/38/11/208553811.db2.gz PQCOLLZEKGKYBX-NSHDSACASA-N 1 0 336.348 0.336 20 5 ECBDRO COc1ccc(NC(=O)C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000415660116 208560814 /nfs/dbraw/zinc/56/08/14/208560814.db2.gz AQCFJDUSUGBUKV-MWLCHTKSSA-N 1 0 336.348 0.799 20 5 ECBDRO C[N@H+](CCCNC(=O)C1CCC1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000429558471 210321962 /nfs/dbraw/zinc/32/19/62/210321962.db2.gz URWRXCSFOYJBFL-AWEZNQCLSA-N 1 0 339.396 0.390 20 5 ECBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000429028700 210294804 /nfs/dbraw/zinc/29/48/04/210294804.db2.gz CRQXNRJNAVLYOE-BFJAYTPKSA-N 1 0 337.424 0.814 20 5 ECBDRO COc1ccc(CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000418954171 208922707 /nfs/dbraw/zinc/92/27/07/208922707.db2.gz XGBYWIYWOUOKOP-NSHDSACASA-N 1 0 336.348 0.169 20 5 ECBDRO C[C@H](NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000419149752 209001915 /nfs/dbraw/zinc/00/19/15/209001915.db2.gz LLTJULAGKVBDDC-WOPDTQHZSA-N 1 0 334.376 0.968 20 5 ECBDRO CN(C[C@@H](O)C[NH2+]CCn1cc([N+](=O)[O-])cn1)C(=O)OC(C)(C)C ZINC000496877849 255138608 /nfs/dbraw/zinc/13/86/08/255138608.db2.gz WXYSEIBWLIOAOT-LBPRGKRZSA-N 1 0 343.384 0.609 20 5 ECBDRO O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N[C@H]1CC[NH2+]C1)OCCO2 ZINC000262750087 296502021 /nfs/dbraw/zinc/50/20/21/296502021.db2.gz MVASENTZNDHNCJ-QMMMGPOBSA-N 1 0 329.334 0.006 20 5 ECBDRO C[NH+](C)CC(=O)N1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065222976 296609012 /nfs/dbraw/zinc/60/90/12/296609012.db2.gz HWYIUPTXTWQOKB-UHFFFAOYSA-N 1 0 336.392 0.679 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000170873623 286350028 /nfs/dbraw/zinc/35/00/28/286350028.db2.gz MWXZHVOBXMIZCB-JTQLQIEISA-N 1 0 329.378 0.928 20 5 ECBDRO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000248957564 165191533 /nfs/dbraw/zinc/19/15/33/165191533.db2.gz ATYVCLHCGGGASB-WCFLWFBJSA-N 1 0 326.353 0.283 20 5 ECBDRO COc1ccc(C(=O)N(C)CC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000261830580 165249381 /nfs/dbraw/zinc/24/93/81/165249381.db2.gz HZMUYHHNTGLTGI-UHFFFAOYSA-N 1 0 336.348 0.107 20 5 ECBDRO COC[C@@]1(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CCC[NH2+]1 ZINC000261876713 165255830 /nfs/dbraw/zinc/25/58/30/165255830.db2.gz LZUPGCKAJOLEKC-AWEZNQCLSA-N 1 0 343.405 0.950 20 5 ECBDRO CN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C1CC[NH2+]CC1 ZINC000125453683 222565053 /nfs/dbraw/zinc/56/50/53/222565053.db2.gz TYSOXRFDWYOECP-UHFFFAOYSA-N 1 0 330.348 1.000 20 5 ECBDRO CNC(=O)[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000182424895 263157083 /nfs/dbraw/zinc/15/70/83/263157083.db2.gz GTQLOFQUNIYSRH-FZMZJTMJSA-N 1 0 325.365 0.695 20 5 ECBDRO COc1ccc(S(=O)(=O)NCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000194987100 263170235 /nfs/dbraw/zinc/17/02/35/263170235.db2.gz MPGHHIVDRDHHLC-UHFFFAOYSA-N 1 0 329.378 0.881 20 5 ECBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272293233 263343003 /nfs/dbraw/zinc/34/30/03/263343003.db2.gz HMDJTPWNBVDFOD-AWEZNQCLSA-N 1 0 325.321 0.366 20 5 ECBDRO COC(=O)c1cc(C)nc(N2CCC[N@H+](CCO)CC2)c1[N+](=O)[O-] ZINC000283744218 264148007 /nfs/dbraw/zinc/14/80/07/264148007.db2.gz JOFKNWDQWWGHSU-UHFFFAOYSA-N 1 0 338.364 0.589 20 5 ECBDRO C[C@@H]([NH2+]CCOCCS(C)(=O)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284944056 264260129 /nfs/dbraw/zinc/26/01/29/264260129.db2.gz DYLZAZHUYDQXEQ-SNVBAGLBSA-N 1 0 331.394 0.889 20 5 ECBDRO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000286277248 264385894 /nfs/dbraw/zinc/38/58/94/264385894.db2.gz VUEOZMYUPFLCSJ-SNVBAGLBSA-N 1 0 325.369 0.483 20 5 ECBDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000286413985 264396181 /nfs/dbraw/zinc/39/61/81/264396181.db2.gz KEQBWNXFXZPFHK-OCCSQVGLSA-N 1 0 339.396 0.533 20 5 ECBDRO CNC(=O)c1ccc(N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000105790670 277258692 /nfs/dbraw/zinc/25/86/92/277258692.db2.gz BQJJBCWUANVHTH-NWDGAFQWSA-N 1 0 336.392 0.846 20 5 ECBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000418786778 279643345 /nfs/dbraw/zinc/64/33/45/279643345.db2.gz JJLBUAPHWPCETN-CHWSQXEVSA-N 1 0 348.407 0.949 20 5 ECBDRO C[C@H](CC[NH3+])NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000447243607 289481175 /nfs/dbraw/zinc/48/11/75/289481175.db2.gz BHZLIKGIZBOXFL-MRVPVSSYSA-N 1 0 331.350 0.382 20 5 ECBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000331885291 296978730 /nfs/dbraw/zinc/97/87/30/296978730.db2.gz DLIYRCZJRKNFKR-CHWSQXEVSA-N 1 0 334.376 0.842 20 5 ECBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000332534788 297050338 /nfs/dbraw/zinc/05/03/38/297050338.db2.gz INKURHNJFJGIJL-CHWSQXEVSA-N 1 0 348.407 0.819 20 5 ECBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)c1[N+](=O)[O-] ZINC000332689079 297065247 /nfs/dbraw/zinc/06/52/47/297065247.db2.gz LGRMSVPEQCRHNA-GHMZBOCLSA-N 1 0 339.396 0.968 20 5 ECBDRO COc1c(F)cc(S(=O)(=O)N[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000344880179 298080585 /nfs/dbraw/zinc/08/05/85/298080585.db2.gz KMPQCCGPNJOVHO-MRVPVSSYSA-N 1 0 335.357 0.971 20 5 ECBDRO CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[NH+]1CCN(C)CC1 ZINC000345581564 298170811 /nfs/dbraw/zinc/17/08/11/298170811.db2.gz FYFRQWHFPJSELL-CQSZACIVSA-N 1 0 337.424 0.935 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c1 ZINC000346177902 298233644 /nfs/dbraw/zinc/23/36/44/298233644.db2.gz AKOKSKAZLIZSTK-WCQYABFASA-N 1 0 348.363 0.902 20 5 ECBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000346724753 298329082 /nfs/dbraw/zinc/32/90/82/298329082.db2.gz XSFXHEPQYXXWJG-ZDUSSCGKSA-N 1 0 325.369 0.361 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCOCC[NH+](C)C ZINC000347171326 298414343 /nfs/dbraw/zinc/41/43/43/298414343.db2.gz GUJHSFWLKWEBCS-UHFFFAOYSA-N 1 0 331.394 0.760 20 5 ECBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)CN2c3cc([N+](=O)[O-])ccc3OCC2=O)C1 ZINC000351819666 298844916 /nfs/dbraw/zinc/84/49/16/298844916.db2.gz CSKXTAORKMJTQL-WDEREUQCSA-N 1 0 348.359 0.516 20 5 ECBDRO CC(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)C(=O)NCC[NH+](C)C ZINC000354494992 299057124 /nfs/dbraw/zinc/05/71/24/299057124.db2.gz GKCBLAZYTNHVOW-JTQLQIEISA-N 1 0 340.384 0.140 20 5 ECBDRO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@]2(CCCOC2)O1 ZINC000361648377 300113057 /nfs/dbraw/zinc/11/30/57/300113057.db2.gz QOIUSRDUCIDEHO-VHDGCEQUSA-N 1 0 340.380 0.422 20 5 ECBDRO Cn1c(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000361826087 300130685 /nfs/dbraw/zinc/13/06/85/300130685.db2.gz RWAVZEGZTJJAFO-LBPRGKRZSA-N 1 0 349.391 0.312 20 5 ECBDRO CC[NH+](CC)C[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000362391162 300188171 /nfs/dbraw/zinc/18/81/71/300188171.db2.gz MVUHSQRGGUYNNC-ZFWWWQNUSA-N 1 0 325.413 0.816 20 5 ECBDRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)Cn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000362712862 300212561 /nfs/dbraw/zinc/21/25/61/300212561.db2.gz YDLABCRMKWQWFV-GFCCVEGCSA-N 1 0 336.396 0.076 20 5 ECBDRO C[NH+](C)CCN1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000362890430 300231026 /nfs/dbraw/zinc/23/10/26/300231026.db2.gz LHWJBYMDWOYACV-UHFFFAOYSA-N 1 0 336.396 0.162 20 5 ECBDRO CNC(=O)c1ccc(N2CCC[N@@H+]([C@H](C)CO)CC2)c([N+](=O)[O-])c1 ZINC000364262994 300340196 /nfs/dbraw/zinc/34/01/96/300340196.db2.gz BPNGIHVXMZDCGQ-GFCCVEGCSA-N 1 0 336.392 0.847 20 5 ECBDRO CNC(=O)c1ccc(N2CCC[N@@H+]([C@@H](C)CO)CC2)c([N+](=O)[O-])c1 ZINC000364262995 300340356 /nfs/dbraw/zinc/34/03/56/300340356.db2.gz BPNGIHVXMZDCGQ-LBPRGKRZSA-N 1 0 336.392 0.847 20 5 ECBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000368369671 300662787 /nfs/dbraw/zinc/66/27/87/300662787.db2.gz KWIHWGBCYNTBSP-UWVGGRQHSA-N 1 0 334.311 0.605 20 5 ECBDRO C[N@@H+]1CC[C@@H](CNC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000073047199 436067650 /nfs/dbraw/zinc/06/76/50/436067650.db2.gz HYSMBPFIPMLIHP-NSHDSACASA-N 1 0 335.360 0.976 20 5 ECBDRO C[NH+](C)CCN1C[C@@H](C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000074225601 436113152 /nfs/dbraw/zinc/11/31/52/436113152.db2.gz NJZGMGIPIORZKH-ZDUSSCGKSA-N 1 0 334.376 0.621 20 5 ECBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000374856571 301129442 /nfs/dbraw/zinc/12/94/42/301129442.db2.gz ORVGWUFXIPESDB-SNVBAGLBSA-N 1 0 338.339 0.909 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2(CO)Cc3ccccc3C2)c1 ZINC000075744182 436173171 /nfs/dbraw/zinc/17/31/71/436173171.db2.gz FKHXFZIVYAMPCW-HNNXBMFYSA-N 1 0 332.360 0.272 20 5 ECBDRO CN1CC[NH2+]C[C@H]1CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000394106658 301453055 /nfs/dbraw/zinc/45/30/55/301453055.db2.gz ZKYUYDPSLUQDHQ-JTQLQIEISA-N 1 0 348.812 0.430 20 5 ECBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000493545525 301541282 /nfs/dbraw/zinc/54/12/82/301541282.db2.gz CSVVNMRORIHBNW-HNCOSLNKSA-N 1 0 330.344 0.378 20 5 ECBDRO Cc1c(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000042741518 436315844 /nfs/dbraw/zinc/31/58/44/436315844.db2.gz CUVCUXNTUAUACY-UHFFFAOYSA-N 1 0 334.376 0.749 20 5 ECBDRO CCCNC(=O)[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090522627 436432760 /nfs/dbraw/zinc/43/27/60/436432760.db2.gz KJQVCFMSEKWZII-CYBMUJFWSA-N 1 0 336.392 0.995 20 5 ECBDRO O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)N1CC[NH2+]CC1 ZINC000520199482 301765954 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C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000418923687 438250926 /nfs/dbraw/zinc/25/09/26/438250926.db2.gz NLSQIRSAVPPLRV-CQSZACIVSA-N 1 0 348.403 0.712 20 5 ECBDRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000418924020 438251227 /nfs/dbraw/zinc/25/12/27/438251227.db2.gz OEMGNGIRHDTYRM-CYBMUJFWSA-N 1 0 336.392 0.743 20 5 ECBDRO O=C(CC[N@@H+]1CC[C@H]2C(=O)NC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000377680557 438323477 /nfs/dbraw/zinc/32/34/77/438323477.db2.gz QDLUQGCGKHJMJW-VXGBXAGGSA-N 1 0 332.360 0.991 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368385378 438323728 /nfs/dbraw/zinc/32/37/28/438323728.db2.gz NVGYCTZNRSCYDG-SMDDNHRTSA-N 1 0 346.387 0.971 20 5 ECBDRO C[N@H+](C[C@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000351713985 438324874 /nfs/dbraw/zinc/32/48/74/438324874.db2.gz XYYCLJIOAJROIV-DOMZBBRYSA-N 1 0 335.408 0.931 20 5 ECBDRO C[C@@H]1CCN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000419036834 438300168 /nfs/dbraw/zinc/30/01/68/438300168.db2.gz HMFAVDJMJQREMC-TZMCWYRMSA-N 1 0 348.403 0.697 20 5 ECBDRO C[C@@H]1CCCN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000419047154 438304180 /nfs/dbraw/zinc/30/41/80/438304180.db2.gz ZRMXOJDAGIOWLK-DOMZBBRYSA-N 1 0 348.403 0.839 20 5 ECBDRO C[N@@H+]1CC[C@@H]2CCN(c3cccc(S(N)(=O)=O)c3[N+](=O)[O-])C[C@@H]21 ZINC000368294192 438310876 /nfs/dbraw/zinc/31/08/76/438310876.db2.gz OYHKLSWCQRDOIO-PWSUYJOCSA-N 1 0 340.405 0.773 20 5 ECBDRO C[C@H]1[NH2+]CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000434665021 438314135 /nfs/dbraw/zinc/31/41/35/438314135.db2.gz MLYMTTRRZSJCQC-VXGBXAGGSA-N 1 0 349.391 0.603 20 5 ECBDRO COC(=O)c1cn([C@H]2CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)nn1 ZINC000368855695 438392155 /nfs/dbraw/zinc/39/21/55/438392155.db2.gz LIDWZFBVZZZYFU-JTQLQIEISA-N 1 0 335.324 0.116 20 5 ECBDRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000392946382 438441835 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334.376 0.913 20 5 ECBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])NCC(=O)N1CC[NH2+]CC1 ZINC000493749272 438647641 /nfs/dbraw/zinc/64/76/41/438647641.db2.gz FCNDDHLDFGWQEH-RQOWECAXSA-N 1 0 336.323 0.295 20 5 ECBDRO C[C@H]([NH3+])[C@H](C)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000493768664 438648477 /nfs/dbraw/zinc/64/84/77/438648477.db2.gz PLLKHRQQEIDSOF-UWVGGRQHSA-N 1 0 340.405 0.924 20 5 ECBDRO CCn1cc(S(=O)(=O)N[C@]2(C[NH3+])CCCC[C@H]2C)c([N+](=O)[O-])n1 ZINC000448181342 438682775 /nfs/dbraw/zinc/68/27/75/438682775.db2.gz PKECUSBRXPTOEA-MFKMUULPSA-N 1 0 345.425 0.997 20 5 ECBDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000423581647 438691043 /nfs/dbraw/zinc/69/10/43/438691043.db2.gz VQBIJUPOEZXRER-LLVKDONJSA-N 1 0 348.359 0.005 20 5 ECBDRO C[C@H]1CN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC[NH2+]1 ZINC000423579201 438691520 /nfs/dbraw/zinc/69/15/20/438691520.db2.gz NSQGLZOIAMRYQF-NSHDSACASA-N 1 0 348.359 0.005 20 5 ECBDRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000423307177 438658761 /nfs/dbraw/zinc/65/87/61/438658761.db2.gz MSHBGDSDFFSNJI-NSHDSACASA-N 1 0 332.360 0.287 20 5 ECBDRO [NH3+]CCCN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000414737930 438715966 /nfs/dbraw/zinc/71/59/66/438715966.db2.gz OPYHYERDNXKEET-UHFFFAOYSA-N 1 0 328.394 0.250 20 5 ECBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000574917388 438728222 /nfs/dbraw/zinc/72/82/22/438728222.db2.gz VQKCPIRBLBCHIL-UHFFFAOYSA-N 1 0 347.419 0.258 20 5 ECBDRO [NH3+][C@H]1C[C@@H]2CN(C(=O)CCc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000576241912 438774533 /nfs/dbraw/zinc/77/45/33/438774533.db2.gz IUCZWXKPUCTKEV-KGLIPLIRSA-N 1 0 332.360 0.298 20 5 ECBDRO Cn1c2cc(NCC[N@@H+]3CCCOCC3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000588027470 438814254 /nfs/dbraw/zinc/81/42/54/438814254.db2.gz FFQAWCSBMBVJOM-UHFFFAOYSA-N 1 0 349.391 0.919 20 5 ECBDRO Cn1nccc1[C@@H](CO)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000514939011 438840527 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NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000596092394 438924548 /nfs/dbraw/zinc/92/45/48/438924548.db2.gz VBZUPGJIFLOYLG-VIFPVBQESA-N 1 0 326.378 0.891 20 5 ECBDRO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000596092393 438925708 /nfs/dbraw/zinc/92/57/08/438925708.db2.gz VBZUPGJIFLOYLG-SECBINFHSA-N 1 0 326.378 0.891 20 5 ECBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590447262 438925972 /nfs/dbraw/zinc/92/59/72/438925972.db2.gz WZTCRVGMQRHMHX-SWLSCSKDSA-N 1 0 342.359 0.952 20 5 ECBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)CN1c2cc([N+](=O)[O-])ccc2OCC1=O ZINC000565421964 438950754 /nfs/dbraw/zinc/95/07/54/438950754.db2.gz HINLLZMFBPORBG-UWVGGRQHSA-N 1 0 336.348 0.562 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000590762674 438957398 /nfs/dbraw/zinc/95/73/98/438957398.db2.gz NAHHELNFJYRBKI-CMPLNLGQSA-N 1 0 341.389 0.928 20 5 ECBDRO O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000578879818 438963686 /nfs/dbraw/zinc/96/36/86/438963686.db2.gz LGESHKXMPKFXMV-ZBFHGGJFSA-N 1 0 346.387 0.971 20 5 ECBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000517935961 438981793 /nfs/dbraw/zinc/98/17/93/438981793.db2.gz KGHRSAXCYWNTJN-MNOVXSKESA-N 1 0 338.364 0.332 20 5 ECBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@H](O)Cn2ccnn2)c1 ZINC000459710275 438993530 /nfs/dbraw/zinc/99/35/30/438993530.db2.gz YYOZCUZOIJCIOY-NSHDSACASA-N 1 0 343.290 0.938 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2cn3c(n2)SCC3)c1 ZINC000566130900 439010901 /nfs/dbraw/zinc/01/09/01/439010901.db2.gz FEEYRSKOQWIHED-LBPRGKRZSA-N 1 0 338.393 0.287 20 5 ECBDRO CCOC(=O)C1CCC(O)(C[NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000566114351 439007106 /nfs/dbraw/zinc/00/71/06/439007106.db2.gz GPEDRSKZGFFTJZ-UHFFFAOYSA-N 1 0 340.380 0.865 20 5 ECBDRO Cc1cc(N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)ncc1[N+](=O)[O-] ZINC000591425698 439012950 /nfs/dbraw/zinc/01/29/50/439012950.db2.gz JTSBTDFSQGHTIF-ZDUSSCGKSA-N 1 0 333.392 0.946 20 5 ECBDRO Cn1c2cc([N+](=O)[O-])c(N3CC[C@H]4CC[NH2+][C@@H]4C3)cc2n(C)c1=O ZINC000591436931 439014942 /nfs/dbraw/zinc/01/49/42/439014942.db2.gz DERJBUUJMPWJGQ-GHMZBOCLSA-N 1 0 331.376 0.973 20 5 ECBDRO CS(=O)(=O)c1cc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000579831608 439041010 /nfs/dbraw/zinc/04/10/10/439041010.db2.gz BZJGERJSKHAVGN-ONGXEEELSA-N 1 0 341.389 0.856 20 5 ECBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000591904891 439107566 /nfs/dbraw/zinc/10/75/66/439107566.db2.gz KEHXXXFMZWGBQM-GFCCVEGCSA-N 1 0 349.391 0.856 20 5 ECBDRO CN1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C[NH3+])C1 ZINC000567047108 439108712 /nfs/dbraw/zinc/10/87/12/439108712.db2.gz KHFYLMUHVVFMIQ-NSHDSACASA-N 1 0 345.359 0.564 20 5 ECBDRO CS(=O)(=O)C1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000591764029 439083080 /nfs/dbraw/zinc/08/30/80/439083080.db2.gz 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CNc1c(C(=O)N2CC(C[NH+]3CCN(C)CC3)C2)cccc1[N+](=O)[O-] ZINC000597694522 439162201 /nfs/dbraw/zinc/16/22/01/439162201.db2.gz KWJIYSYJYZBBJN-UHFFFAOYSA-N 1 0 347.419 0.956 20 5 ECBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000597716971 439166296 /nfs/dbraw/zinc/16/62/96/439166296.db2.gz UTFGNYZAOIXQIB-INIZCTEOSA-N 1 0 334.376 0.701 20 5 ECBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000567819088 439180323 /nfs/dbraw/zinc/18/03/23/439180323.db2.gz OKUBVKBKJVJYFK-GFCCVEGCSA-N 1 0 333.352 0.342 20 5 ECBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCO1 ZINC000592307404 439198263 /nfs/dbraw/zinc/19/82/63/439198263.db2.gz HVIRRZJVJLKMDL-NHYWBVRUSA-N 1 0 345.359 0.969 20 5 ECBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@@H]1CCC[NH2+]CC1 ZINC000592330562 439206399 /nfs/dbraw/zinc/20/63/99/439206399.db2.gz SFKOZQLDCJSMJV-LLVKDONJSA-N 1 0 348.359 0.579 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000592367453 439211768 /nfs/dbraw/zinc/21/17/68/439211768.db2.gz VMMNDDTYJSTQJI-VIFPVBQESA-N 1 0 343.361 0.351 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000592367199 439212320 /nfs/dbraw/zinc/21/23/20/439212320.db2.gz LOBZAQFCWRHORL-SNVBAGLBSA-N 1 0 329.378 0.881 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000592387633 439218354 /nfs/dbraw/zinc/21/83/54/439218354.db2.gz ZTQFXCMXNKELOI-ZDUSSCGKSA-N 1 0 329.378 0.963 20 5 ECBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000592568530 439256767 /nfs/dbraw/zinc/25/67/67/439256767.db2.gz VWXUTRQGQDRCDD-IUCAKERBSA-N 1 0 329.378 0.854 20 5 ECBDRO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000598452534 439264180 /nfs/dbraw/zinc/26/41/80/439264180.db2.gz LMORGUBKUVNKQH-LBPRGKRZSA-N 1 0 336.348 0.367 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])n1 ZINC000490522731 439271171 /nfs/dbraw/zinc/27/11/71/439271171.db2.gz BZWGVAGZIJEABK-CYBMUJFWSA-N 1 0 343.409 0.528 20 5 ECBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000604489582 439316724 /nfs/dbraw/zinc/31/67/24/439316724.db2.gz OHRHKKSWBGMGBS-ZDUSSCGKSA-N 1 0 337.380 0.505 20 5 ECBDRO C[NH+]1CCC(NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000598895495 439323547 /nfs/dbraw/zinc/32/35/47/439323547.db2.gz XVQYCVPSPQDGKH-UHFFFAOYSA-N 1 0 335.364 0.927 20 5 ECBDRO C[NH+](C)CCN1CCN(CCOc2ccccc2[N+](=O)[O-])CC1=O ZINC000593052722 439334426 /nfs/dbraw/zinc/33/44/26/439334426.db2.gz VDNJSRZPIGGDAU-UHFFFAOYSA-N 1 0 336.392 0.679 20 5 ECBDRO O=c1c2c(ncn1CCOc1ccccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000568863796 439285248 /nfs/dbraw/zinc/28/52/48/439285248.db2.gz SUOWNRZHDFAHBU-UHFFFAOYSA-N 1 0 330.344 0.919 20 5 ECBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598664656 439298936 /nfs/dbraw/zinc/29/89/36/439298936.db2.gz IPYPHZUOQZPICQ-PWSUYJOCSA-N 1 0 335.364 0.960 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)ccc1[N+](=O)[O-] ZINC000598668114 439299341 /nfs/dbraw/zinc/29/93/41/439299341.db2.gz QKQUQHKNYZCDTO-SUMWQHHRSA-N 1 0 346.387 0.973 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)ccc1[N+](=O)[O-] ZINC000598668111 439300511 /nfs/dbraw/zinc/30/05/11/439300511.db2.gz QKQUQHKNYZCDTO-CXAGYDPISA-N 1 0 346.387 0.973 20 5 ECBDRO C[NH2+]C[C@@H]1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598664854 439300555 /nfs/dbraw/zinc/30/05/55/439300555.db2.gz ORUSLMPZDSHDDZ-NSHDSACASA-N 1 0 335.364 0.784 20 5 ECBDRO C[C@](C[NH3+])(NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000598664825 439300685 /nfs/dbraw/zinc/30/06/85/439300685.db2.gz NMIMVTLHNQGCDR-OAHLLOKOSA-N 1 0 335.364 0.960 20 5 ECBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000598743906 439311783 /nfs/dbraw/zinc/31/17/83/439311783.db2.gz XQTFKUUSXQDGJB-UHFFFAOYSA-N 1 0 338.412 0.474 20 5 ECBDRO CCc1ccc(S(=O)(=O)NCCOCCC[NH3+])cc1[N+](=O)[O-] ZINC000599110326 439362348 /nfs/dbraw/zinc/36/23/48/439362348.db2.gz QQQAJUXBGCUOEI-UHFFFAOYSA-N 1 0 331.394 0.801 20 5 ECBDRO C[NH+](C)CCN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000593182462 439351480 /nfs/dbraw/zinc/35/14/80/439351480.db2.gz OYGPSWPMMKWJPT-UHFFFAOYSA-N 1 0 335.364 0.833 20 5 ECBDRO C[C@H](C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000593235862 439354498 /nfs/dbraw/zinc/35/44/98/439354498.db2.gz XSEAXYZRMKYRSC-ZDUSSCGKSA-N 1 0 348.403 0.931 20 5 ECBDRO C[NH+](C)CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1=O ZINC000593234727 439355800 /nfs/dbraw/zinc/35/58/00/439355800.db2.gz MVXXKXLTZCLGPI-UHFFFAOYSA-N 1 0 338.339 0.580 20 5 ECBDRO [NH3+]C1(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000599102538 439356786 /nfs/dbraw/zinc/35/67/86/439356786.db2.gz MARMZCUTUUGZGD-UHFFFAOYSA-N 1 0 329.378 0.522 20 5 ECBDRO Cc1cc(S(=O)(=O)NCC2([NH3+])CCOCC2)ccc1[N+](=O)[O-] ZINC000599104222 439358185 /nfs/dbraw/zinc/35/81/85/439358185.db2.gz TZEFZRHONGNDPM-UHFFFAOYSA-N 1 0 329.378 0.689 20 5 ECBDRO C[C@H]1CCCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000599103693 439358744 /nfs/dbraw/zinc/35/87/44/439358744.db2.gz XUMUQHCTTJPLKG-VHSXEESVSA-N 1 0 331.398 0.466 20 5 ECBDRO CC[C@@H](C(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000569980581 439380650 /nfs/dbraw/zinc/38/06/50/439380650.db2.gz GUJHDXIHWYMAMH-AWEZNQCLSA-N 1 0 346.391 1.406 20 5 ECBDRO CC(C)[NH+](CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(C)C ZINC000599207535 439381405 /nfs/dbraw/zinc/38/14/05/439381405.db2.gz PWUBQSGQYVPLCP-UHFFFAOYSA-N 1 0 333.414 0.725 20 5 ECBDRO [NH3+][C@H]1C[C@H]2CN(c3ccc([N+](=O)[O-])c4cccnc43)CCN2C1=O ZINC000582857045 439391484 /nfs/dbraw/zinc/39/14/84/439391484.db2.gz HLDFLOUOFBPAAS-JQWIXIFHSA-N 1 0 327.344 0.891 20 5 ECBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599255018 439401239 /nfs/dbraw/zinc/40/12/39/439401239.db2.gz ZHMMYSRAONUQJT-NSHDSACASA-N 1 0 345.425 0.681 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC(CC[NH+](C)C)CC2)n1 ZINC000599271655 439411982 /nfs/dbraw/zinc/41/19/82/439411982.db2.gz IOVUHGIPFSBSES-UHFFFAOYSA-N 1 0 345.425 0.681 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)n1 ZINC000599313311 439427582 /nfs/dbraw/zinc/42/75/82/439427582.db2.gz IBZITYGHZMMTIJ-ZDUSSCGKSA-N 1 0 343.409 0.435 20 5 ECBDRO [NH3+]CC[C@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C(F)F ZINC000583321588 439448517 /nfs/dbraw/zinc/44/85/17/439448517.db2.gz RWZUNEMPPAGEHH-VIFPVBQESA-N 1 0 340.290 0.888 20 5 ECBDRO CCO[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H]1C[NH3+] ZINC000593916144 439493841 /nfs/dbraw/zinc/49/38/41/439493841.db2.gz CYARIXVJDQEBHJ-YMTOWFKASA-N 1 0 337.332 0.759 20 5 ECBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000593918110 439494061 /nfs/dbraw/zinc/49/40/61/439494061.db2.gz ARCYNYNZKQYYBI-AGIUHOORSA-N 1 0 337.380 0.679 20 5 ECBDRO COc1ncc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1Cl ZINC000583688864 439499459 /nfs/dbraw/zinc/49/94/59/439499459.db2.gz HPOMJYZJHSWGLS-LLVKDONJSA-N 1 0 341.755 0.999 20 5 ECBDRO Cc1ccc(C[C@H](CO)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1C ZINC000583934497 439529140 /nfs/dbraw/zinc/52/91/40/439529140.db2.gz IHVSKFYWCIHEID-WBVHZDCISA-N 1 0 348.403 0.962 20 5 ECBDRO CN1CC[NH+](CC2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])CC2)CC1 ZINC000584065492 439547514 /nfs/dbraw/zinc/54/75/14/439547514.db2.gz FMWPTNZXNKADAV-UHFFFAOYSA-N 1 0 336.396 0.418 20 5 ECBDRO C[C@H]1CC[N@H+](CC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000594369532 439549217 /nfs/dbraw/zinc/54/92/17/439549217.db2.gz LSVCOQWKTHUQOZ-ZDUSSCGKSA-N 1 0 333.392 0.980 20 5 ECBDRO COc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000599896764 439572728 /nfs/dbraw/zinc/57/27/28/439572728.db2.gz SHFIGNVIGOVHDL-MWLCHTKSSA-N 1 0 336.348 0.799 20 5 ECBDRO CCc1ccc(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000584302982 439576229 /nfs/dbraw/zinc/57/62/29/439576229.db2.gz UITTWRHONBOWCQ-OLZOCXBDSA-N 1 0 332.360 0.541 20 5 ECBDRO C[NH2+]CCOCCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000599935482 439578752 /nfs/dbraw/zinc/57/87/52/439578752.db2.gz JAPUWRLCPYMYJQ-UHFFFAOYSA-N 1 0 338.364 0.603 20 5 ECBDRO C[NH+](C)[C@H]1C[C@@H](CNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC000594590783 439579161 /nfs/dbraw/zinc/57/91/61/439579161.db2.gz BKLUPIKYYXPIMQ-JGZJWPJOSA-N 1 0 328.394 0.994 20 5 ECBDRO COc1cc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000599939528 439581136 /nfs/dbraw/zinc/58/11/36/439581136.db2.gz WKMPWQQLCZLDAN-CHWSQXEVSA-N 1 0 335.360 0.885 20 5 ECBDRO CC(C)(C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1)n1cc([N+](=O)[O-])cn1 ZINC000599938928 439581165 /nfs/dbraw/zinc/58/11/65/439581165.db2.gz STKZNWIKTBAVHA-AAEUAGOBSA-N 1 0 337.380 0.194 20 5 ECBDRO COC(=O)c1cc(C)nc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1[N+](=O)[O-] ZINC000594601697 439581770 /nfs/dbraw/zinc/58/17/70/439581770.db2.gz GKFPIKGXPXEYPQ-WDEREUQCSA-N 1 0 336.348 0.340 20 5 ECBDRO Cn1c(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000609664620 439583491 /nfs/dbraw/zinc/58/34/91/439583491.db2.gz CNXFLSYCTCVVQV-CYBMUJFWSA-N 1 0 335.408 0.785 20 5 ECBDRO O=C(NCc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1)C1CC[NH2+]CC1 ZINC000594650770 439587592 /nfs/dbraw/zinc/58/75/92/439587592.db2.gz CHRJXNZWCYBKAS-UHFFFAOYSA-N 1 0 344.375 0.850 20 5 ECBDRO [NH3+][C@@H]1C[C@H]2CN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CCN2C1=O ZINC000594694433 439592307 /nfs/dbraw/zinc/59/23/07/439592307.db2.gz PZVOXKVQWIURQX-VHSXEESVSA-N 1 0 342.302 0.944 20 5 ECBDRO CO[C@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000594718559 439595962 /nfs/dbraw/zinc/59/59/62/439595962.db2.gz SSHSIOOZQWELLD-IVMMDQJWSA-N 1 0 340.376 0.976 20 5 ECBDRO CCCC(=O)NC1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000610335925 439610549 /nfs/dbraw/zinc/61/05/49/439610549.db2.gz DUNIWQAPXXLNNN-AWEZNQCLSA-N 1 0 339.396 0.533 20 5 ECBDRO COC(=O)C[C@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610368534 439611950 /nfs/dbraw/zinc/61/19/50/439611950.db2.gz JAHBEBDNEHQXRA-DGCLKSJQSA-N 1 0 326.353 0.570 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000600105637 439613983 /nfs/dbraw/zinc/61/39/83/439613983.db2.gz RVJLODFRSXQLBB-UHFFFAOYSA-N 1 0 337.380 0.423 20 5 ECBDRO Nc1cc(N2CC[NH+](C[C@H]3CCOC3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000585707030 439645065 /nfs/dbraw/zinc/64/50/65/439645065.db2.gz IZGBTTNVRBHVQM-GFCCVEGCSA-N 1 0 336.392 0.828 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCCn2ccnn2)cc1 ZINC000573438853 439645679 /nfs/dbraw/zinc/64/56/79/439645679.db2.gz JEKWZWUUYYPGNM-UHFFFAOYSA-N 1 0 339.377 0.640 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC12CC(C1)C[NH2+]2 ZINC000595121565 439656399 /nfs/dbraw/zinc/65/63/99/439656399.db2.gz DODDBSONIMZYPV-UHFFFAOYSA-N 1 0 327.362 0.634 20 5 ECBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000573722881 439663094 /nfs/dbraw/zinc/66/30/94/439663094.db2.gz JTQHBRNLXLGURK-WDEREUQCSA-N 1 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ECBDRO O=C(COC(=O)c1ccc([N+](=O)[O-])cn1)NC1CC[NH+](C2CC2)CC1 ZINC000761981829 579533893 /nfs/dbraw/zinc/53/38/93/579533893.db2.gz SGWBFOYIUBNOBN-UHFFFAOYSA-N 1 0 348.359 0.890 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H](C[NH3+])C1 ZINC000842696216 589032919 /nfs/dbraw/zinc/03/29/19/589032919.db2.gz QLRKMMFCYVFBLM-SNVBAGLBSA-N 1 0 329.378 0.963 20 5 ECBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC2 ZINC000843495492 589072439 /nfs/dbraw/zinc/07/24/39/589072439.db2.gz SVYRPHIOHITSPH-HNNXBMFYSA-N 1 0 334.376 0.892 20 5 ECBDRO O=C([C@@H](C[NH2+]CC[N+](=O)[O-])Cc1cccc(F)c1)N1CCOCC1 ZINC000905242751 586881605 /nfs/dbraw/zinc/88/16/05/586881605.db2.gz KHIUTWGNIDRCIB-CQSZACIVSA-N 1 0 339.367 0.710 20 5 ECBDRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CC3[N+](=O)[O-])cc2)C1 ZINC000839621839 586883680 /nfs/dbraw/zinc/88/36/80/586883680.db2.gz JHCWZIQEJNZDMP-BPLDGKMQSA-N 1 0 346.387 0.988 20 5 ECBDRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 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CO[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1O ZINC000832008156 588462616 /nfs/dbraw/zinc/46/26/16/588462616.db2.gz WPTVJUXEZGEIBE-CHWSQXEVSA-N 1 0 327.312 0.754 20 5 ECBDRO O=C(CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[NH2+]CC1 ZINC000832409965 588482755 /nfs/dbraw/zinc/48/27/55/588482755.db2.gz ORLBOLOTCRUSOR-UHFFFAOYSA-N 1 0 326.740 0.410 20 5 ECBDRO C[NH+](C)CCN1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1=O ZINC000845630726 589165947 /nfs/dbraw/zinc/16/59/47/589165947.db2.gz UXLMKNIEMIDQLK-UHFFFAOYSA-N 1 0 337.336 0.713 20 5 ECBDRO CCO[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C[NH3+] ZINC000846695444 589219330 /nfs/dbraw/zinc/21/93/30/589219330.db2.gz LCFBPTGPZRZFQU-QMTHXVAHSA-N 1 0 341.339 0.935 20 5 ECBDRO [NH3+]CC12CC(C1)CN2C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000852858781 589518628 /nfs/dbraw/zinc/51/86/28/589518628.db2.gz HBAWQNYUCKJQDI-UHFFFAOYSA-N 1 0 346.387 0.995 20 5 ECBDRO COC(=O)N(C)CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000853117933 589532453 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349.391 0.782 20 5 ECBDRO [NH3+][C@@H]1CCc2ncc(NC(=O)NCCn3cc([N+](=O)[O-])cn3)cc2C1 ZINC000415964469 208597732 /nfs/dbraw/zinc/59/77/32/208597732.db2.gz SRTPNGRNJWINBU-LLVKDONJSA-N 1 0 345.363 0.824 20 5 ECBDRO C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000429224064 210306345 /nfs/dbraw/zinc/30/63/45/210306345.db2.gz YANFBMLOADDXFY-MNOVXSKESA-N 1 0 338.364 0.764 20 5 ECBDRO C[C@@H](CC[NH3+])NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000418528581 208820479 /nfs/dbraw/zinc/82/04/79/208820479.db2.gz PBQVIEJQEBCXIG-LBPRGKRZSA-N 1 0 349.391 0.800 20 5 ECBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000418867994 208887758 /nfs/dbraw/zinc/88/77/58/208887758.db2.gz MTEXFGQYOAVSIB-UONOGXRCSA-N 1 0 346.387 0.321 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000184319556 533143380 /nfs/dbraw/zinc/14/33/80/533143380.db2.gz ZTXZNVGOHQZAAB-WCQGTBRESA-N 1 0 341.389 0.961 20 5 ECBDRO 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1 0 337.380 0.816 20 5 ECBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359387407 299844946 /nfs/dbraw/zinc/84/49/46/299844946.db2.gz YARJJHPAWTYZLH-SRVKXCTJSA-N 1 0 336.396 0.505 20 5 ECBDRO CNc1nccc(C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC000516978171 421221056 /nfs/dbraw/zinc/22/10/56/421221056.db2.gz AEFKMEJMBYCCGS-HNNXBMFYSA-N 1 0 335.364 0.218 20 5 ECBDRO CS[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])nc2C)C[C@@H]1[NH+](C)C ZINC000270451213 263243027 /nfs/dbraw/zinc/24/30/27/263243027.db2.gz JJEPWEHZMIYXPI-RYUDHWBXSA-N 1 0 341.437 0.994 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2(CO)CCOCC2)cc1 ZINC000273012634 263386983 /nfs/dbraw/zinc/38/69/83/263386983.db2.gz JLBONQBHMRROHT-UHFFFAOYSA-N 1 0 344.389 0.500 20 5 ECBDRO CCCc1n[nH]c(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000284827222 264242657 /nfs/dbraw/zinc/24/26/57/264242657.db2.gz AVADOXCKENEMRL-NEPJUHHUSA-N 1 0 337.380 0.816 20 5 ECBDRO 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/nfs/dbraw/zinc/37/91/72/438379172.db2.gz IZJIBHLSKBTYIV-CHWSQXEVSA-N 1 0 336.392 0.996 20 5 ECBDRO O=C(NCC(=O)N1C[C@H]2C[NH2+]C[C@@H]2C1)NCc1ccc([N+](=O)[O-])cc1 ZINC000359383517 438424011 /nfs/dbraw/zinc/42/40/11/438424011.db2.gz RWSFEDXRFIZBMK-CHWSQXEVSA-N 1 0 347.375 0.072 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000391573356 438440753 /nfs/dbraw/zinc/44/07/53/438440753.db2.gz SMJMBHGLRZJJMY-GXFFZTMASA-N 1 0 341.389 0.976 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000420430189 438406348 /nfs/dbraw/zinc/40/63/48/438406348.db2.gz CFELSYNEZPEMSO-KCJUWKMLSA-N 1 0 343.361 0.349 20 5 ECBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@H]2COC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000352791304 438476346 /nfs/dbraw/zinc/47/63/46/438476346.db2.gz HQZYLFYKNAEAST-KBPBESRZSA-N 1 0 339.348 0.624 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])n1 ZINC000407989530 438479432 /nfs/dbraw/zinc/47/94/32/438479432.db2.gz HSTVJNLFLXCUDQ-JTQLQIEISA-N 1 0 329.382 0.280 20 5 ECBDRO COc1c(C(=O)NCCCN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000353656142 438520105 /nfs/dbraw/zinc/52/01/05/438520105.db2.gz KLFJULQZULGESV-UHFFFAOYSA-N 1 0 336.392 0.971 20 5 ECBDRO CN(C)S(=O)(=O)CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000353870105 438546138 /nfs/dbraw/zinc/54/61/38/438546138.db2.gz VRGHNCFGGJAXLB-VXGBXAGGSA-N 1 0 345.425 0.756 20 5 ECBDRO CCC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000441526568 438587131 /nfs/dbraw/zinc/58/71/31/438587131.db2.gz QWNSHBFWQPSSLR-DGCLKSJQSA-N 1 0 325.369 0.143 20 5 ECBDRO C[C@@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]1 ZINC000422949495 438620014 /nfs/dbraw/zinc/62/00/14/438620014.db2.gz VHOGZNZNRGYQLF-RISCZKNCSA-N 1 0 342.421 0.603 20 5 ECBDRO Cc1ccsc1[C@@H](CO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000494636854 438701363 /nfs/dbraw/zinc/70/13/63/438701363.db2.gz MMAVKYBYWQOBDT-NWDGAFQWSA-N 1 0 326.378 0.845 20 5 ECBDRO Nc1nccc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000547729831 438718920 /nfs/dbraw/zinc/71/89/20/438718920.db2.gz BEPNBDUTELJBPE-LLVKDONJSA-N 1 0 349.391 0.803 20 5 ECBDRO CN(CC(=O)NC[C@@]1(O)C[NH+]2CCC1CC2)c1ccccc1[N+](=O)[O-] ZINC000554866696 438769297 /nfs/dbraw/zinc/76/92/97/438769297.db2.gz JGHJYEYIBADLPO-QGZVFWFLSA-N 1 0 348.403 0.604 20 5 ECBDRO COc1ccc([N+](=O)[O-])c(OC[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000576989288 438807546 /nfs/dbraw/zinc/80/75/46/438807546.db2.gz XEMZMPOJPGPTML-GFCCVEGCSA-N 1 0 325.365 0.591 20 5 ECBDRO CC(C)OCC[NH+]1CCC(NC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000555733512 438775718 /nfs/dbraw/zinc/77/57/18/438775718.db2.gz GOCVRZDZDJJIAW-UHFFFAOYSA-N 1 0 325.369 0.937 20 5 ECBDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC000514647504 438820077 /nfs/dbraw/zinc/82/00/77/438820077.db2.gz LSECJNFITNAQRP-QWHCGFSZSA-N 1 0 337.380 0.816 20 5 ECBDRO O=C1CC[C@@H]([NH+]2CCN(c3ncc(F)cc3[N+](=O)[O-])CC2)CCN1 ZINC000601170568 438826170 /nfs/dbraw/zinc/82/61/70/438826170.db2.gz BBLBBLHPSWJSIF-GFCCVEGCSA-N 1 0 337.355 0.920 20 5 ECBDRO COC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCOCC1 ZINC000595613665 438834050 /nfs/dbraw/zinc/83/40/50/438834050.db2.gz DGCGTURRVPXZMX-KBPBESRZSA-N 1 0 328.369 0.183 20 5 ECBDRO Nc1c(C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)cc(F)cc1[N+](=O)[O-] ZINC000561692904 438846351 /nfs/dbraw/zinc/84/63/51/438846351.db2.gz MRJUYTNKPKZIEM-OAHLLOKOSA-N 1 0 338.339 0.503 20 5 ECBDRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595948460 438895759 /nfs/dbraw/zinc/89/57/59/438895759.db2.gz KVNVJPMBEPLGIX-DRZSPHRISA-N 1 0 335.364 0.366 20 5 ECBDRO C[NH2+]CCCC(=O)N1CCC(NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000595947896 438895939 /nfs/dbraw/zinc/89/59/39/438895939.db2.gz JCDAYWQKHFKDRV-UHFFFAOYSA-N 1 0 338.368 0.038 20 5 ECBDRO COC[C@@H](O)CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000516182124 438896784 /nfs/dbraw/zinc/89/67/84/438896784.db2.gz JNGQETRJJMXCEQ-LBPRGKRZSA-N 1 0 332.378 0.356 20 5 ECBDRO NC(=O)C1CCC([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000578127210 438898398 /nfs/dbraw/zinc/89/83/98/438898398.db2.gz IOEFXSGENYYLMH-ORHYLEIMSA-N 1 0 337.376 0.968 20 5 ECBDRO O=C1CCCN1C[C@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595833127 438868550 /nfs/dbraw/zinc/86/85/50/438868550.db2.gz RZQGDUWHLVFGTI-GXTWGEPZSA-N 1 0 337.380 0.097 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CCNC2(CO)CC[NH2+]CC2)cc1 ZINC000595896558 438878712 /nfs/dbraw/zinc/87/87/12/438878712.db2.gz GANMFVZEXRJCOM-UHFFFAOYSA-N 1 0 343.405 0.073 20 5 ECBDRO C[N@@H+]1CCC[C@H](N2CCN(c3nccc(C(N)=O)c3[N+](=O)[O-])CC2)C1 ZINC000589573427 438879211 /nfs/dbraw/zinc/87/92/11/438879211.db2.gz KPNPGJJBAYAWFN-LBPRGKRZSA-N 1 0 348.407 0.305 20 5 ECBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000515845744 438883044 /nfs/dbraw/zinc/88/30/44/438883044.db2.gz RFOHAWAWUSTESI-WDEREUQCSA-N 1 0 334.376 0.722 20 5 ECBDRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000595930863 438888399 /nfs/dbraw/zinc/88/83/99/438888399.db2.gz XTUHWDBFECKFLG-SWLSCSKDSA-N 1 0 334.376 0.607 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC(C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000601423868 438888590 /nfs/dbraw/zinc/88/85/90/438888590.db2.gz OYASYFFKJKFNJV-UHFFFAOYSA-N 1 0 329.378 0.786 20 5 ECBDRO C[NH2+]C[C@@H](C)NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000595983441 438908307 /nfs/dbraw/zinc/90/83/07/438908307.db2.gz OAHBVBMMUNITTB-MRVPVSSYSA-N 1 0 328.756 0.702 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000589928020 438892985 /nfs/dbraw/zinc/89/29/85/438892985.db2.gz CGILVUCAKHETLF-ZYHUDNBSSA-N 1 0 341.389 0.928 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000589928946 438893335 /nfs/dbraw/zinc/89/33/35/438893335.db2.gz IAALWVZKOPTMLS-MFKMUULPSA-N 1 0 341.389 0.928 20 5 ECBDRO O=C(N[C@H]1CCCC[NH2+]C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000516555085 438912538 /nfs/dbraw/zinc/91/25/38/438912538.db2.gz QJEKQCPRSXJGSO-ZDUSSCGKSA-N 1 0 348.407 0.964 20 5 ECBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@@H+]1CC(C)(C)O ZINC000596223467 438943721 /nfs/dbraw/zinc/94/37/21/438943721.db2.gz QZNDLOSXSRBESQ-LLVKDONJSA-N 1 0 336.392 0.975 20 5 ECBDRO C[NH+](C)CC(=O)N1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596073413 438922810 /nfs/dbraw/zinc/92/28/10/438922810.db2.gz ODRYKOQVVLFAJP-UHFFFAOYSA-N 1 0 327.772 0.853 20 5 ECBDRO C[NH+](C)[C@H](CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)C1CC1 ZINC000596116142 438926545 /nfs/dbraw/zinc/92/65/45/438926545.db2.gz YUPHZQOQGKSHDG-GFCCVEGCSA-N 1 0 328.394 0.994 20 5 ECBDRO C[NH+](C)C[C@H](CO)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000590548418 438931162 /nfs/dbraw/zinc/93/11/62/438931162.db2.gz CZDAXCGGNDMBPC-GFCCVEGCSA-N 1 0 333.348 0.433 20 5 ECBDRO C[NH+]1CCN(C[C@@H](O)COc2ccc([N+](=O)[O-])c(CO)c2)CC1 ZINC000565541991 438959975 /nfs/dbraw/zinc/95/99/75/438959975.db2.gz ZSUKJGPIPCOLQG-CYBMUJFWSA-N 1 0 325.365 0.074 20 5 ECBDRO COc1cc(CCNC(=O)NC/C=C\C[NH3+])c([N+](=O)[O-])cc1OC ZINC000591338352 439005654 /nfs/dbraw/zinc/00/56/54/439005654.db2.gz FPBOJXFTZLKFDQ-ARJAWSKDSA-N 1 0 338.364 0.969 20 5 ECBDRO C[C@@H]([NH3+])CNC(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000591363041 439009456 /nfs/dbraw/zinc/00/94/56/439009456.db2.gz RJJUYJQASWDOFZ-MRVPVSSYSA-N 1 0 328.756 0.370 20 5 ECBDRO CN(CCC[NH+](C)C)CCNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000596426021 438960358 /nfs/dbraw/zinc/96/03/58/438960358.db2.gz ZKHIYSMGJXIVBO-UHFFFAOYSA-N 1 0 325.413 0.965 20 5 ECBDRO O=C(C[NH2+]C[C@H]1CCCO1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000580422353 439088780 /nfs/dbraw/zinc/08/87/80/439088780.db2.gz AFYYEKBNTRVJCT-CYBMUJFWSA-N 1 0 337.380 0.723 20 5 ECBDRO C[C@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000602485780 439098462 /nfs/dbraw/zinc/09/84/62/439098462.db2.gz ZKVKOHCKOBIWBB-ZFWWWQNUSA-N 1 0 336.440 0.786 20 5 ECBDRO Cc1c(NC(=O)CCN2C[C@H](O)[C@@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000580614867 439110762 /nfs/dbraw/zinc/11/07/62/439110762.db2.gz LICWFAJXUUASMW-GJZGRUSLSA-N 1 0 336.392 0.839 20 5 ECBDRO NC(=O)c1cccc(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000591735923 439078352 /nfs/dbraw/zinc/07/83/52/439078352.db2.gz YJDZPUHFAXZGPE-CQSZACIVSA-N 1 0 333.348 0.083 20 5 ECBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CN(C)CCO1 ZINC000591756694 439080890 /nfs/dbraw/zinc/08/08/90/439080890.db2.gz QBZGWZODDIEGAW-NOLJZWGESA-N 1 0 339.392 0.643 20 5 ECBDRO Cc1cc(N2CCC([NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n[nH]1 ZINC000591762519 439082011 /nfs/dbraw/zinc/08/20/11/439082011.db2.gz FWMYVUJYQRCLEB-CQSZACIVSA-N 1 0 349.395 0.442 20 5 ECBDRO C[C@@]1(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C[NH2+]CCO1 ZINC000602429563 439083140 /nfs/dbraw/zinc/08/31/40/439083140.db2.gz GIJOBWZORYJDKK-INIZCTEOSA-N 1 0 334.376 0.622 20 5 ECBDRO C[NH+]1CCC2(CC1)CN(c1ccc(C(N)=O)cc1[N+](=O)[O-])CCO2 ZINC000591995316 439127946 /nfs/dbraw/zinc/12/79/46/439127946.db2.gz ZLAXQSFSXMCCBD-UHFFFAOYSA-N 1 0 334.376 0.995 20 5 ECBDRO C[NH2+][C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000567344565 439133599 /nfs/dbraw/zinc/13/35/99/439133599.db2.gz HPHBXVMSZFHFTK-GFCCVEGCSA-N 1 0 334.376 0.865 20 5 ECBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602987915 439177063 /nfs/dbraw/zinc/17/70/63/439177063.db2.gz VUEUADYFYUAOKM-GXSJLCMTSA-N 1 0 335.282 0.859 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H](O)[C@@H]2CCOC2)cc1 ZINC000592431077 439227269 /nfs/dbraw/zinc/22/72/69/439227269.db2.gz LCZIUNLWOGWNFB-RISCZKNCSA-N 1 0 344.389 0.356 20 5 ECBDRO [NH3+]C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000592294619 439194921 /nfs/dbraw/zinc/19/49/21/439194921.db2.gz OLVFYFGRSWKZPH-LBPRGKRZSA-N 1 0 334.376 0.852 20 5 ECBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCO1 ZINC000592307365 439198175 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Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)CCOCC[NH3+] ZINC000599110042 439362181 /nfs/dbraw/zinc/36/21/81/439362181.db2.gz CXSDVTONHSCFQU-UHFFFAOYSA-N 1 0 331.394 0.807 20 5 ECBDRO CN(C)S(=O)(=O)N1CC([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000599015624 439346051 /nfs/dbraw/zinc/34/60/51/439346051.db2.gz HPMZUXMLNPILEL-FNORWQNLSA-N 1 0 340.405 0.688 20 5 ECBDRO [NH3+]C1(CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000599103303 439357608 /nfs/dbraw/zinc/35/76/08/439357608.db2.gz RAUKICJXBHXQAH-UHFFFAOYSA-N 1 0 343.405 0.565 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1(C[NH3+])CCOCC1 ZINC000599103020 439357647 /nfs/dbraw/zinc/35/76/47/439357647.db2.gz LEQRNHPTHPIWAL-UHFFFAOYSA-N 1 0 329.378 0.689 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)n1 ZINC000599104900 439358501 /nfs/dbraw/zinc/35/85/01/439358501.db2.gz VRPWKNAJUFYRTL-WDEREUQCSA-N 1 0 343.409 0.481 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000582677996 439368011 /nfs/dbraw/zinc/36/80/11/439368011.db2.gz ZDHCQCSQIRODEF-STQMWFEESA-N 1 0 347.375 0.086 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000582677994 439368136 /nfs/dbraw/zinc/36/81/36/439368136.db2.gz ZDHCQCSQIRODEF-OLZOCXBDSA-N 1 0 347.375 0.086 20 5 ECBDRO C[C@@]1(NC(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@H+](Cc2ccccc2)C1 ZINC000593342149 439369894 /nfs/dbraw/zinc/36/98/94/439369894.db2.gz KTEIGWYNJHGYET-MRXNPFEDSA-N 1 0 344.375 0.967 20 5 ECBDRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599329895 439433769 /nfs/dbraw/zinc/43/37/69/439433769.db2.gz HJKZAWJHCIDHJS-SNVBAGLBSA-N 1 0 331.398 0.432 20 5 ECBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000570812807 439452885 /nfs/dbraw/zinc/45/28/85/439452885.db2.gz JPGUKXKTTLKFHL-AAEUAGOBSA-N 1 0 349.391 0.732 20 5 ECBDRO [NH3+]CC1(CCNC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000593716210 439453103 /nfs/dbraw/zinc/45/31/03/439453103.db2.gz OFXFMKDTFPJHDS-UHFFFAOYSA-N 1 0 348.407 0.950 20 5 ECBDRO Cc1nn(CCC(=O)N2CC(N3CC[C@@H](O)C3)C2)c(C)c1[N+](=O)[O-] ZINC000593853091 439476687 /nfs/dbraw/zinc/47/66/87/439476687.db2.gz BOPJZDASUPBJHP-CYBMUJFWSA-N 1 0 337.380 0.076 20 5 ECBDRO C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(=O)NCC[NH+](C)C ZINC000594359528 439547161 /nfs/dbraw/zinc/54/71/61/439547161.db2.gz NBFLIPTVSIJCOY-SECBINFHSA-N 1 0 326.328 0.530 20 5 ECBDRO C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(=O)NCC[NH+](C)C ZINC000594359543 439547299 /nfs/dbraw/zinc/54/72/99/439547299.db2.gz NBFLIPTVSIJCOY-VIFPVBQESA-N 1 0 326.328 0.530 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N[C@H](C[NH3+])C(F)(F)F)ccc1[N+](=O)[O-] ZINC000594451371 439562662 /nfs/dbraw/zinc/56/26/62/439562662.db2.gz SKYNVJYEEGWNLI-SNVBAGLBSA-N 1 0 348.281 0.639 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCCOC2CCOCC2)c1 ZINC000583807460 439513193 /nfs/dbraw/zinc/51/31/93/439513193.db2.gz MQWCDGLQBPDKIT-ZDUSSCGKSA-N 1 0 328.369 0.328 20 5 ECBDRO C[NH2+]CCOCCNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000599895415 439570239 /nfs/dbraw/zinc/57/02/39/439570239.db2.gz CDUOCYYHZLOARK-UHFFFAOYSA-N 1 0 338.364 0.502 20 5 ECBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000599899681 439572721 /nfs/dbraw/zinc/57/27/21/439572721.db2.gz GIKASCRRPWWNOT-UHFFFAOYSA-N 1 0 338.364 0.584 20 5 ECBDRO COc1ccc(CNC(=O)NCC2([NH3+])CCOCC2)cc1[N+](=O)[O-] ZINC000599906726 439573462 /nfs/dbraw/zinc/57/34/62/439573462.db2.gz HQZXKPATQVTZIR-UHFFFAOYSA-N 1 0 338.364 0.911 20 5 ECBDRO O=C(NCCC[NH2+]C1CC1)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000572348597 439575255 /nfs/dbraw/zinc/57/52/55/439575255.db2.gz ZSUPJPNRUFUYIW-UHFFFAOYSA-N 1 0 346.387 0.738 20 5 ECBDRO CC(C)c1[nH]nc(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599939522 439580407 /nfs/dbraw/zinc/58/04/07/439580407.db2.gz WGZOUHXANGXFSU-QWRGUYRKSA-N 1 0 337.380 0.722 20 5 ECBDRO Cc1n[nH]c(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)c1[N+](=O)[O-] ZINC000600007441 439593004 /nfs/dbraw/zinc/59/30/04/439593004.db2.gz RHVYCJUQAGJFTO-UHFFFAOYSA-N 1 0 337.380 0.953 20 5 ECBDRO Cc1cc(C)c(S(=O)(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000572648841 439599325 /nfs/dbraw/zinc/59/93/25/439599325.db2.gz RVFVLMRZRSMBFB-LBPRGKRZSA-N 1 0 342.421 0.475 20 5 ECBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CS(=O)(=O)C[C@H]1OC ZINC000594967377 439644281 /nfs/dbraw/zinc/64/42/81/439644281.db2.gz XWFIQBJZMGELPY-GXTWGEPZSA-N 1 0 344.389 0.895 20 5 ECBDRO COc1ccc(S(=O)(=O)NCC23CC(C2)C[NH2+]3)c([N+](=O)[O-])c1 ZINC000595127803 439658178 /nfs/dbraw/zinc/65/81/78/439658178.db2.gz OXEDEWOYYIUFRQ-UHFFFAOYSA-N 1 0 327.362 0.634 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2Cc3ccccc3CO2)c1 ZINC000600746849 439699924 /nfs/dbraw/zinc/69/99/24/439699924.db2.gz NBIFEQLZBCPCGO-CVEARBPZSA-N 1 0 332.360 0.883 20 5 ECBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000574340548 439700111 /nfs/dbraw/zinc/70/01/11/439700111.db2.gz JJWXMRBNHBAGPX-RYUDHWBXSA-N 1 0 347.375 0.987 20 5 ECBDRO CN1CCOC[C@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000600763307 439700809 /nfs/dbraw/zinc/70/08/09/439700809.db2.gz TZXKJUFNXFGEKP-KGLIPLIRSA-N 1 0 325.365 0.255 20 5 ECBDRO COc1cc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)c([N+](=O)[O-])cc1F ZINC000600808768 439705420 /nfs/dbraw/zinc/70/54/20/439705420.db2.gz QBWOQZXKSNSNLV-VIFPVBQESA-N 1 0 327.312 0.539 20 5 ECBDRO CC(C)(C(N)=O)N1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611708226 439722440 /nfs/dbraw/zinc/72/24/40/439722440.db2.gz LWZSTWSIXAUSRI-UHFFFAOYSA-N 1 0 344.375 0.924 20 5 ECBDRO CCNC(=O)CN1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611703601 439722997 /nfs/dbraw/zinc/72/29/97/439722997.db2.gz VWKLGECNHHRBGZ-UHFFFAOYSA-N 1 0 344.375 0.796 20 5 ECBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000600534321 439674731 /nfs/dbraw/zinc/67/47/31/439674731.db2.gz OMTMEBKHZYGYAW-CYBMUJFWSA-N 1 0 345.359 0.781 20 5 ECBDRO COc1ccc(NC(=O)C(=O)NCC2([NH3+])CCCC2)cc1[N+](=O)[O-] 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339.396 0.751 20 5 ECBDRO CCn1cc(S(=O)(=O)N(C)CCC[NH+]2CCCC2)c([N+](=O)[O-])n1 ZINC000350221454 298707248 /nfs/dbraw/zinc/70/72/48/298707248.db2.gz HRUPSHMJFOZWCD-UHFFFAOYSA-N 1 0 345.425 0.918 20 5 ECBDRO COC(=O)[C@]12CCC[C@@H]1C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000364691075 300378465 /nfs/dbraw/zinc/37/84/65/300378465.db2.gz PZUVEDGMWNDGHD-ZLDLUXBVSA-N 1 0 338.364 0.427 20 5 ECBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000367899996 300636806 /nfs/dbraw/zinc/63/68/06/300636806.db2.gz DQSVARWYESEZQZ-GXTWGEPZSA-N 1 0 335.364 0.475 20 5 ECBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000368284186 300658743 /nfs/dbraw/zinc/65/87/43/300658743.db2.gz LCDRFQODTKRGSE-FZMZJTMJSA-N 1 0 349.391 0.803 20 5 ECBDRO O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000373055247 301043860 /nfs/dbraw/zinc/04/38/60/301043860.db2.gz JGVMRELPSKYXAX-FZMZJTMJSA-N 1 0 342.359 1.000 20 5 ECBDRO 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Cn1cc([C@H](CO)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000273926359 436788405 /nfs/dbraw/zinc/78/84/05/436788405.db2.gz BUNGNDBSJDMAPQ-ZDUSSCGKSA-N 1 0 333.348 0.980 20 5 ECBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000127166202 436797580 /nfs/dbraw/zinc/79/75/80/436797580.db2.gz ZXRDFXYDULNYAY-ZDUSSCGKSA-N 1 0 336.392 0.993 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCC[NH+]2CCC(O)CC2)s1 ZINC000159009532 436852566 /nfs/dbraw/zinc/85/25/66/436852566.db2.gz CBTJAIQSQLGBME-UHFFFAOYSA-N 1 0 349.434 0.781 20 5 ECBDRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000135560091 436919084 /nfs/dbraw/zinc/91/90/84/436919084.db2.gz NTLHIWBYVTUBJW-JSGCOSHPSA-N 1 0 334.380 0.895 20 5 ECBDRO CS[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000275087436 436922153 /nfs/dbraw/zinc/92/21/53/436922153.db2.gz HAASFSAOHHIJBZ-QWRGUYRKSA-N 1 0 325.394 0.970 20 5 ECBDRO COc1cc(C(=O)N2CCO[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1OC ZINC000274831015 436879067 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ECBDRO Cc1cc(OCC(=O)NC[C@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000281582707 436983070 /nfs/dbraw/zinc/98/30/70/436983070.db2.gz ZQIIQACWEYBPMB-ZDUSSCGKSA-N 1 0 336.392 0.644 20 5 ECBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000264586400 437049605 /nfs/dbraw/zinc/04/96/05/437049605.db2.gz VJERUJXFUIDKKP-LBPRGKRZSA-N 1 0 335.364 0.247 20 5 ECBDRO COCC[N@@H+]1CC[C@@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000264627355 437055608 /nfs/dbraw/zinc/05/56/08/437055608.db2.gz SWBZGVKEBQYBAD-SNVBAGLBSA-N 1 0 344.393 0.375 20 5 ECBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174853077 437089771 /nfs/dbraw/zinc/08/97/71/437089771.db2.gz LJBWCOJXBCHMLX-HNNXBMFYSA-N 1 0 336.440 0.893 20 5 ECBDRO Cn1nccc1[C@@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000331414552 437091831 /nfs/dbraw/zinc/09/18/31/437091831.db2.gz BZKDVMPAHYSMIM-OCCSQVGLSA-N 1 0 334.380 0.765 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000304351237 437158084 /nfs/dbraw/zinc/15/80/84/437158084.db2.gz RHFHYHGHPHLKDU-QGZVFWFLSA-N 1 0 345.403 0.970 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000331801735 437161946 /nfs/dbraw/zinc/16/19/46/437161946.db2.gz KFPJUEJYMIAWON-NWDGAFQWSA-N 1 0 327.362 0.265 20 5 ECBDRO C[C@H]1C[NH+](CCCCNC(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000176137550 437132306 /nfs/dbraw/zinc/13/23/06/437132306.db2.gz NOBKENHNJFGCEV-STQMWFEESA-N 1 0 339.396 0.797 20 5 ECBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1CN2CCCC[C@H]2CO1 ZINC000301846032 437132739 /nfs/dbraw/zinc/13/27/39/437132739.db2.gz ALNFBGZZLLMSHZ-CMPLNLGQSA-N 1 0 335.364 0.754 20 5 ECBDRO COc1ccc(C[N@H+](C)C[C@@H](O)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000177352298 437181280 /nfs/dbraw/zinc/18/12/80/437181280.db2.gz LGLQODMDCQABCM-CQSZACIVSA-N 1 0 339.392 0.728 20 5 ECBDRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000324649225 437228573 /nfs/dbraw/zinc/22/85/73/437228573.db2.gz ATPSPYXTTRTYFB-DAXSKMNVSA-N 1 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C[N@H+]1C[C@H]2CN(c3cccc(S(N)(=O)=O)c3[N+](=O)[O-])C[C@H]2C1 ZINC000278779262 437342466 /nfs/dbraw/zinc/34/24/66/437342466.db2.gz PBFDFWBYVXZTOV-AOOOYVTPSA-N 1 0 326.378 0.240 20 5 ECBDRO CC(=O)N1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182193965 437342634 /nfs/dbraw/zinc/34/26/34/437342634.db2.gz WVDQXVKDBCIBBK-CQSZACIVSA-N 1 0 337.376 0.889 20 5 ECBDRO CNS(=O)(=O)c1ccc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000278820041 437346050 /nfs/dbraw/zinc/34/60/50/437346050.db2.gz TTXMYSASIQRZOS-PHIMTYICSA-N 1 0 340.405 0.501 20 5 ECBDRO O=C1C[C@]2(CC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)CN1 ZINC000278858124 437350449 /nfs/dbraw/zinc/35/04/49/437350449.db2.gz KYUYBUJNUOAWDR-CZUORRHYSA-N 1 0 335.360 0.547 20 5 ECBDRO C[C@@H]1C[NH+](CCCCNC(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H](C)O1 ZINC000268028131 437356376 /nfs/dbraw/zinc/35/63/76/437356376.db2.gz UDGVDASFIUTDCM-CHWSQXEVSA-N 1 0 339.396 0.797 20 5 ECBDRO O=C1NC(=O)[C@@]2(CCC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)N1 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NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000344933035 437774745 /nfs/dbraw/zinc/77/47/45/437774745.db2.gz DQXSWFWJHNHDQM-NSHDSACASA-N 1 0 349.391 0.494 20 5 ECBDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)CC2)C1 ZINC000363218773 437776414 /nfs/dbraw/zinc/77/64/14/437776414.db2.gz LVXBLKNTRLVPID-LBPRGKRZSA-N 1 0 349.391 0.547 20 5 ECBDRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423725755 437814112 /nfs/dbraw/zinc/81/41/12/437814112.db2.gz PAFDDKCXOUBPOR-HNNXBMFYSA-N 1 0 346.387 0.954 20 5 ECBDRO COc1ccc(NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000415534208 437816334 /nfs/dbraw/zinc/81/63/34/437816334.db2.gz XRXBIVQQMHZSTH-UWVGGRQHSA-N 1 0 336.348 0.738 20 5 ECBDRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423850551 437840448 /nfs/dbraw/zinc/84/04/48/437840448.db2.gz QVZOBPCYVHMFOV-GFCCVEGCSA-N 1 0 340.767 0.733 20 5 ECBDRO COc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000415745377 437853831 /nfs/dbraw/zinc/85/38/31/437853831.db2.gz MJUDYCDKJNUWER-GHMZBOCLSA-N 1 0 348.359 0.610 20 5 ECBDRO COc1ccc(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000415767924 437857075 /nfs/dbraw/zinc/85/70/75/437857075.db2.gz NKHSLSNVSAPEDD-CMPLNLGQSA-N 1 0 348.359 0.752 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N(C)[C@H](C[NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000423946350 437864955 /nfs/dbraw/zinc/86/49/55/437864955.db2.gz JLSZBXWLOHGZKC-CQSZACIVSA-N 1 0 334.376 0.829 20 5 ECBDRO Cn1cc([C@@H]2CN(CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]2[NH3+])cn1 ZINC000424282691 437921400 /nfs/dbraw/zinc/92/14/00/437921400.db2.gz ABUFNGUKQHUUJD-QWHCGFSZSA-N 1 0 344.375 0.694 20 5 ECBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000424061306 437883864 /nfs/dbraw/zinc/88/38/64/437883864.db2.gz SABPZHYNXIQPBM-UHFFFAOYSA-N 1 0 338.412 0.324 20 5 ECBDRO Cn1cc([C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3N)C[C@H]2[NH3+])cn1 ZINC000424224716 437907237 /nfs/dbraw/zinc/90/72/37/437907237.db2.gz KVBYNSKHNNAXOU-NWDGAFQWSA-N 1 0 330.348 0.477 20 5 ECBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000341851354 437910610 /nfs/dbraw/zinc/91/06/10/437910610.db2.gz KOEMKNHXXBRPRO-LBPRGKRZSA-N 1 0 349.391 0.615 20 5 ECBDRO CS(=O)(=O)c1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)cc([N+](=O)[O-])c1 ZINC000366605042 438101788 /nfs/dbraw/zinc/10/17/88/438101788.db2.gz SKJOSNSVUYTZLB-TVQRCGJNSA-N 1 0 339.373 0.432 20 5 ECBDRO NC(=O)N[C@@H]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000342877892 438079460 /nfs/dbraw/zinc/07/94/60/438079460.db2.gz XMGHLMUIXYJFJG-MFKMUULPSA-N 1 0 333.348 0.443 20 5 ECBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418083537 438106568 /nfs/dbraw/zinc/10/65/68/438106568.db2.gz LRPMDYYAPMPKIQ-LLVKDONJSA-N 1 0 347.379 0.174 20 5 ECBDRO CCc1n[nH]c(C(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000372690393 438107210 /nfs/dbraw/zinc/10/72/10/438107210.db2.gz DJNBTTLVERIQRD-JTQLQIEISA-N 1 0 325.369 0.409 20 5 ECBDRO COc1cc(CNC[C@]2(O)CC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000358164962 438173013 /nfs/dbraw/zinc/17/30/13/438173013.db2.gz NTRSQMUZVPIWMO-OAHLLOKOSA-N 1 0 325.365 0.768 20 5 ECBDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000418863998 438224463 /nfs/dbraw/zinc/22/44/63/438224463.db2.gz HVUKFTSTKBGGSN-CYBMUJFWSA-N 1 0 336.392 0.887 20 5 ECBDRO Cc1c(CNC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000358470886 438234081 /nfs/dbraw/zinc/23/40/81/438234081.db2.gz GEYGTSNRHOGFGU-CQSZACIVSA-N 1 0 335.408 0.948 20 5 ECBDRO C[C@H]1C[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])cnc2N)CCCO1 ZINC000432561480 438203840 /nfs/dbraw/zinc/20/38/40/438203840.db2.gz XVFAKTBJCVXHSA-NSHDSACASA-N 1 0 337.380 0.803 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000367994075 438276339 /nfs/dbraw/zinc/27/63/39/438276339.db2.gz PDVKTVIPIONITN-ZDUSSCGKSA-N 1 0 334.376 0.723 20 5 ECBDRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000418921342 438249994 /nfs/dbraw/zinc/24/99/94/438249994.db2.gz JDBNBWJATQETIW-HNNXBMFYSA-N 1 0 348.403 0.854 20 5 ECBDRO Cn1c(C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])ccc1[N+](=O)[O-] ZINC000434713753 438318975 /nfs/dbraw/zinc/31/89/75/438318975.db2.gz KBPGEZHIIGDWDV-NSHDSACASA-N 1 0 337.380 0.393 20 5 ECBDRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000419132952 438339871 /nfs/dbraw/zinc/33/98/71/438339871.db2.gz CFBJOLMEYICIEF-SECBINFHSA-N 1 0 342.783 0.979 20 5 ECBDRO O=C(NC1CC1)[C@@H](O)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000434713150 438318149 /nfs/dbraw/zinc/31/81/49/438318149.db2.gz YKJANDLYQYQSKT-AWEZNQCLSA-N 1 0 337.380 0.143 20 5 ECBDRO CN(C[C@H]1CCC[N@@H+]1C)c1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000420638411 438417276 /nfs/dbraw/zinc/41/72/76/438417276.db2.gz PVAAKAABUNWWRS-SNVBAGLBSA-N 1 0 328.394 0.773 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(O[C@H]3CCOC3)CC2)c1 ZINC000359705099 438481048 /nfs/dbraw/zinc/48/10/48/438481048.db2.gz HRZJWZBAGQZFFJ-ZFWWWQNUSA-N 1 0 340.380 0.422 20 5 ECBDRO C[C@H]1OCC[C@@]12C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H](C)O2 ZINC000369290012 438451076 /nfs/dbraw/zinc/45/10/76/438451076.db2.gz HOMLHLDXTMADSS-RJZRQDKASA-N 1 0 340.380 0.421 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC[C@H]2Cn2cccn2)c1 ZINC000369782037 438513546 /nfs/dbraw/zinc/51/35/46/438513546.db2.gz KZFPAZDMCSBARE-DZGCQCFKSA-N 1 0 334.380 0.903 20 5 ECBDRO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000369781331 438513622 /nfs/dbraw/zinc/51/36/22/438513622.db2.gz DCEFLSSYGFYLIU-DZGCQCFKSA-N 1 0 349.395 0.525 20 5 ECBDRO CCNC(=O)[C@@H](C)[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000353760485 438532067 /nfs/dbraw/zinc/53/20/67/438532067.db2.gz AMWKBKRZZUKWSH-SNVBAGLBSA-N 1 0 339.348 0.761 20 5 ECBDRO CC(C)[NH+]1CCN([C@H]2CCN(Cc3c([N+](=O)[O-])ncn3C)C2)CC1 ZINC000370047680 438546781 /nfs/dbraw/zinc/54/67/81/438546781.db2.gz ZJUNXVOYNBASDO-AWEZNQCLSA-N 1 0 336.440 0.929 20 5 ECBDRO O=C1CNC(=O)N1CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440484377 438552992 /nfs/dbraw/zinc/55/29/92/438552992.db2.gz HOLWGOPTKPGQAV-JTQLQIEISA-N 1 0 334.336 0.028 20 5 ECBDRO CO[C@H]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000440857011 438568874 /nfs/dbraw/zinc/56/88/74/438568874.db2.gz RXBRANPDDYDTCD-KBPBESRZSA-N 1 0 343.405 0.863 20 5 ECBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423110791 438639363 /nfs/dbraw/zinc/63/93/63/438639363.db2.gz VWPZPDAYLRVGKQ-KRWDZBQOSA-N 1 0 346.387 0.765 20 5 ECBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452352595 438652839 /nfs/dbraw/zinc/65/28/39/438652839.db2.gz SCBIDDNLYVTRIE-AWEZNQCLSA-N 1 0 337.376 0.937 20 5 ECBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[N@H+]1CCCO ZINC000452355898 438655046 /nfs/dbraw/zinc/65/50/46/438655046.db2.gz ZFAYHGIIHIYHIQ-CYBMUJFWSA-N 1 0 337.376 0.937 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)ccc1[N+](=O)[O-] ZINC000422829035 438608976 /nfs/dbraw/zinc/60/89/76/438608976.db2.gz UITJZAXCOXAGRF-VXGBXAGGSA-N 1 0 334.376 0.842 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000423452667 438678143 /nfs/dbraw/zinc/67/81/43/438678143.db2.gz INEAWALMXZPCCX-CQSZACIVSA-N 1 0 346.387 0.986 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCCN(CCCO)C2)s1 ZINC000451673190 438706388 /nfs/dbraw/zinc/70/63/88/438706388.db2.gz UVCJYDSYHKVVCN-SNVBAGLBSA-N 1 0 349.434 0.781 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000423575860 438690140 /nfs/dbraw/zinc/69/01/40/438690140.db2.gz ZDGKVNKOMYQQOD-GXFFZTMASA-N 1 0 334.376 0.747 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N[C@H]2C[NH2+]CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000423575861 438690521 /nfs/dbraw/zinc/69/05/21/438690521.db2.gz ZDGKVNKOMYQQOD-MFKMUULPSA-N 1 0 334.376 0.747 20 5 ECBDRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000423309549 438658746 /nfs/dbraw/zinc/65/87/46/438658746.db2.gz QCILZYUOXVBPMC-ZDUSSCGKSA-N 1 0 332.360 0.300 20 5 ECBDRO [NH3+]CCCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000414730966 438715670 /nfs/dbraw/zinc/71/56/70/438715670.db2.gz HLERKZMMGRETCF-UHFFFAOYSA-N 1 0 328.394 0.250 20 5 ECBDRO Cn1cc([C@@H](CO)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000494806781 438710075 /nfs/dbraw/zinc/71/00/75/438710075.db2.gz FPEOTXHNFFZTCB-CQSZACIVSA-N 1 0 333.348 0.980 20 5 ECBDRO CCC[NH2+]CCNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000557228233 438795725 /nfs/dbraw/zinc/79/57/25/438795725.db2.gz PEXNFNZAEAJQPV-UHFFFAOYSA-N 1 0 336.396 0.821 20 5 ECBDRO CC[C@H]1CN(CCNC(=O)c2ccc([N+](=O)[O-])c(NC)n2)CCO1 ZINC000456027280 438756623 /nfs/dbraw/zinc/75/66/23/438756623.db2.gz NVJXYBYLSSXGRP-NSHDSACASA-N 1 0 337.380 0.872 20 5 ECBDRO CCc1n[nH]c(C(=O)NCCCC[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000554006646 438758875 /nfs/dbraw/zinc/75/88/75/438758875.db2.gz QBPSBIDZYIEBTQ-UHFFFAOYSA-N 1 0 338.412 0.638 20 5 ECBDRO C[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H](C)[N@H+]1CCO ZINC000456212420 438763389 /nfs/dbraw/zinc/76/33/89/438763389.db2.gz PDNHNFBWLSFKOW-TXEJJXNPSA-N 1 0 325.369 0.095 20 5 ECBDRO C[NH+](C)C[C@@H]1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 ZINC000555194120 438773542 /nfs/dbraw/zinc/77/35/42/438773542.db2.gz TXSITCUACRHJIF-JTQLQIEISA-N 1 0 328.394 0.630 20 5 ECBDRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000577103959 438814830 /nfs/dbraw/zinc/81/48/30/438814830.db2.gz GSDYNWVRGFXPRE-BXUZGUMPSA-N 1 0 325.369 0.440 20 5 ECBDRO Cc1ncc2c(n1)CC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000577275039 438828314 /nfs/dbraw/zinc/82/83/14/438828314.db2.gz HIRRDKODLBPKEN-JSGCOSHPSA-N 1 0 332.364 0.398 20 5 ECBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H](CO)C[NH+]1CCCC1 ZINC000588869366 438846715 /nfs/dbraw/zinc/84/67/15/438846715.db2.gz NZVALONXEYZYEB-ZDUSSCGKSA-N 1 0 336.392 0.970 20 5 ECBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000564954778 438895003 /nfs/dbraw/zinc/89/50/03/438895003.db2.gz PUASNENTOUTRTF-GHMZBOCLSA-N 1 0 348.359 0.564 20 5 ECBDRO O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000595954065 438898055 /nfs/dbraw/zinc/89/80/55/438898055.db2.gz PMUYLIUZQSHCSQ-SNVBAGLBSA-N 1 0 342.359 0.988 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000564854003 438879971 /nfs/dbraw/zinc/87/99/71/438879971.db2.gz KFBGNZUXTTXPPK-YUTCNCBUSA-N 1 0 342.421 0.797 20 5 ECBDRO Cc1n[nH]c(C(=O)N2CCC([N@H+]3CCOC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC000590386608 438916936 /nfs/dbraw/zinc/91/69/36/438916936.db2.gz CLCVDSVZZCJJGW-JTQLQIEISA-N 1 0 337.380 0.952 20 5 ECBDRO CCC[NH+]1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596052935 438919277 /nfs/dbraw/zinc/91/92/77/438919277.db2.gz BVYYYSYNWKFMBV-UHFFFAOYSA-N 1 0 328.394 0.774 20 5 ECBDRO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000596087075 438923216 /nfs/dbraw/zinc/92/32/16/438923216.db2.gz DBZJWTIRZSKMRL-VIFPVBQESA-N 1 0 326.378 0.891 20 5 ECBDRO [NH3+][C@@H]1C[C@@H]2CN(c3nc4c(cc3[N+](=O)[O-])CCCC4)CCN2C1=O ZINC000565232225 438930397 /nfs/dbraw/zinc/93/03/97/438930397.db2.gz ADXWJKPEBQOZPS-VXGBXAGGSA-N 1 0 331.376 0.617 20 5 ECBDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000590554551 438932669 /nfs/dbraw/zinc/93/26/69/438932669.db2.gz DLYZPLMSWXCQBM-LBPRGKRZSA-N 1 0 337.380 0.503 20 5 ECBDRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000590556154 438933139 /nfs/dbraw/zinc/93/31/39/438933139.db2.gz YHDWVGJWXQEHHK-GFCCVEGCSA-N 1 0 337.380 0.503 20 5 ECBDRO COCC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000565302799 438939889 /nfs/dbraw/zinc/93/98/89/438939889.db2.gz OMPPZDMNHKMMHT-UHFFFAOYSA-N 1 0 325.321 0.332 20 5 ECBDRO NS(=O)(=O)c1ccc(N2CC[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000596204585 438940938 /nfs/dbraw/zinc/94/09/38/438940938.db2.gz AVEOVLKHGPLYSB-UHFFFAOYSA-N 1 0 326.378 0.527 20 5 ECBDRO CC(C)[NH2+]C1(CO)CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000596251419 438946472 /nfs/dbraw/zinc/94/64/72/438946472.db2.gz SPUXDHOYOXPWIO-UHFFFAOYSA-N 1 0 337.380 0.418 20 5 ECBDRO C[N@@H+]1CC[C@]2(CCN(c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)C2)C1 ZINC000596241874 438946740 /nfs/dbraw/zinc/94/67/40/438946740.db2.gz JCBBCONHHGNFKA-AWEZNQCLSA-N 1 0 340.405 0.774 20 5 ECBDRO CNc1nccc(C(=O)N[C@H](CO)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000565607860 438963400 /nfs/dbraw/zinc/96/34/00/438963400.db2.gz MLSGJOYKJDSMCR-NSHDSACASA-N 1 0 337.380 0.608 20 5 ECBDRO CN1CCN(C)[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000579104041 438980705 /nfs/dbraw/zinc/98/07/05/438980705.db2.gz ZZMYSQDNTGLBLZ-UONOGXRCSA-N 1 0 338.408 0.170 20 5 ECBDRO O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1CCC2(CC[NH2+]C2)CC1 ZINC000601980494 438995730 /nfs/dbraw/zinc/99/57/30/438995730.db2.gz LNSODRQVPCPXEL-UHFFFAOYSA-N 1 0 348.407 0.801 20 5 ECBDRO CC1(C)C[NH2+]CCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000591677789 439060292 /nfs/dbraw/zinc/06/02/92/439060292.db2.gz DKOLWFOFVNESAT-UHFFFAOYSA-N 1 0 330.348 1.000 20 5 ECBDRO CC1(C)C[NH2+]CCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591677687 439060843 /nfs/dbraw/zinc/06/08/43/439060843.db2.gz ANCADSUXCXQQAQ-UHFFFAOYSA-N 1 0 334.376 0.925 20 5 ECBDRO O=C([C@H]1CCCN(c2ncc([N+](=O)[O-])cc2F)C1)N1CC[NH2+]CC1 ZINC000591425725 439013589 /nfs/dbraw/zinc/01/35/89/439013589.db2.gz SGWLYNNRUVTISS-NSHDSACASA-N 1 0 337.355 0.777 20 5 ECBDRO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591438096 439014090 /nfs/dbraw/zinc/01/40/90/439014090.db2.gz KXIYSNFUYVANKY-MWLCHTKSSA-N 1 0 326.378 0.430 20 5 ECBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000579613624 439025895 /nfs/dbraw/zinc/02/58/95/439025895.db2.gz WIRXBVUYKQDOGP-QWRGUYRKSA-N 1 0 334.332 0.130 20 5 ECBDRO COc1ccc(CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000566236407 439030296 /nfs/dbraw/zinc/03/02/96/439030296.db2.gz DHINOJQMCRIXIL-UWVGGRQHSA-N 1 0 338.364 0.462 20 5 ECBDRO CN(C)C(=O)CCC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000520218944 439074431 /nfs/dbraw/zinc/07/44/31/439074431.db2.gz JELKMGIMYDRWPD-CYBMUJFWSA-N 1 0 325.365 0.793 20 5 ECBDRO COCCN1CC[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000591734799 439077326 /nfs/dbraw/zinc/07/73/26/439077326.db2.gz HMGYANCBAMPSGM-DZGCQCFKSA-N 1 0 339.392 0.645 20 5 ECBDRO CC(C)(C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000591749608 439079768 /nfs/dbraw/zinc/07/97/68/439079768.db2.gz BEHLNLKBQFKBPA-LLVKDONJSA-N 1 0 346.405 0.747 20 5 ECBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)c1 ZINC000520452237 439083097 /nfs/dbraw/zinc/08/30/97/439083097.db2.gz RCASYGRHUCMOKQ-JTQLQIEISA-N 1 0 338.364 0.400 20 5 ECBDRO Cn1cc(CN2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)c([N+](=O)[O-])n1 ZINC000602681113 439119960 /nfs/dbraw/zinc/11/99/60/439119960.db2.gz JURREZITWBAQGY-ZDUSSCGKSA-N 1 0 336.396 0.115 20 5 ECBDRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)C1=O ZINC000567474950 439145415 /nfs/dbraw/zinc/14/54/15/439145415.db2.gz XKFFTXLPDQYXEN-LBPRGKRZSA-N 1 0 335.364 0.348 20 5 ECBDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)C1=O ZINC000567474949 439146051 /nfs/dbraw/zinc/14/60/51/439146051.db2.gz XKFFTXLPDQYXEN-GFCCVEGCSA-N 1 0 335.364 0.348 20 5 ECBDRO C[NH+](C)C[C@H](CO)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000597653867 439150508 /nfs/dbraw/zinc/15/05/08/439150508.db2.gz NLWFSZFTUFOANR-SECBINFHSA-N 1 0 333.291 0.849 20 5 ECBDRO CNc1nccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000597694549 439161526 /nfs/dbraw/zinc/16/15/26/439161526.db2.gz LDZFQYNIKIOZBX-QWHCGFSZSA-N 1 0 349.391 0.967 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC(C[NH+]2CCN(C)CC2)C1 ZINC000597694551 439161562 /nfs/dbraw/zinc/16/15/62/439161562.db2.gz LEDGXUVBJKCVAZ-UHFFFAOYSA-N 1 0 348.403 0.923 20 5 ECBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCO1 ZINC000592307366 439197864 /nfs/dbraw/zinc/19/78/64/439197864.db2.gz GNPJKBNUTAGXNG-QMTHXVAHSA-N 1 0 346.347 0.364 20 5 ECBDRO COc1cc(OCC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000592310837 439200014 /nfs/dbraw/zinc/20/00/14/439200014.db2.gz YXEFRUNOMFDUQD-YGRLFVJLSA-N 1 0 339.348 0.557 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000592366105 439213125 /nfs/dbraw/zinc/21/31/25/439213125.db2.gz XNWBQDAEUKNOMX-UHFFFAOYSA-N 1 0 329.378 0.976 20 5 ECBDRO [NH3+][C@@H]1C[C@@H]2CN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000568783176 439278570 /nfs/dbraw/zinc/27/85/70/439278570.db2.gz OTCWTWQUCDCNAN-ZIAGYGMSSA-N 1 0 347.375 0.167 20 5 ECBDRO COCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCO[C@@H]1C ZINC000489446077 439228129 /nfs/dbraw/zinc/22/81/29/439228129.db2.gz GBMCYFQONVHCAS-OCCSQVGLSA-N 1 0 325.365 0.882 20 5 ECBDRO CN(CCN1CC[NH2+]CC1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000592469079 439234476 /nfs/dbraw/zinc/23/44/76/439234476.db2.gz GBFJIOXIHDPHAP-UHFFFAOYSA-N 1 0 335.408 0.395 20 5 ECBDRO [NH3+][C@H](CNC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000581657512 439238656 /nfs/dbraw/zinc/23/86/56/439238656.db2.gz UYWFKFPIKIXRCZ-CYBMUJFWSA-N 1 0 332.360 0.333 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000568424760 439249073 /nfs/dbraw/zinc/24/90/73/439249073.db2.gz VLZAMJGIVVXRDB-INIZCTEOSA-N 1 0 335.360 0.790 20 5 ECBDRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000592548950 439249116 /nfs/dbraw/zinc/24/91/16/439249116.db2.gz USFJKBFOKSAFSR-LBPRGKRZSA-N 1 0 337.332 0.337 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H](O)[C@@H]2CCOC2)c1 ZINC000581884490 439261556 /nfs/dbraw/zinc/26/15/56/439261556.db2.gz LLPWPPJRLGHFDS-UXIGCNINSA-N 1 0 326.349 0.322 20 5 ECBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)CNC(=O)Nc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000598903081 439325294 /nfs/dbraw/zinc/32/52/94/439325294.db2.gz KDALKUDAOZKSSG-RISCZKNCSA-N 1 0 347.375 0.879 20 5 ECBDRO CC1(OCC(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C[NH2+]C1 ZINC000592966268 439326068 /nfs/dbraw/zinc/32/60/68/439326068.db2.gz XNZZKUFAVXUHEC-LLVKDONJSA-N 1 0 335.364 0.381 20 5 ECBDRO O=C(CCN1CC([N@@H+]2CC[C@@H](O)C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000592998660 439330223 /nfs/dbraw/zinc/33/02/23/439330223.db2.gz DJJFDQKXPPADEZ-CYBMUJFWSA-N 1 0 334.376 0.674 20 5 ECBDRO CC(C)N1CC[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000582416141 439331917 /nfs/dbraw/zinc/33/19/17/439331917.db2.gz XMVRSMIQUZQNLW-UKRRQHHQSA-N 1 0 337.376 0.933 20 5 ECBDRO COC[C@@H]1C[C@@H](O)C[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000593064857 439335069 /nfs/dbraw/zinc/33/50/69/439335069.db2.gz STSSMLYGZWSPLB-YNEHKIRRSA-N 1 0 326.349 0.416 20 5 ECBDRO CC[NH2+]CCCNC(=O)[C@@H](CC)Nc1c([N+](=O)[O-])c(C)nn1C ZINC000582061609 439286308 /nfs/dbraw/zinc/28/63/08/439286308.db2.gz FEAYEDZRQVOFGC-LLVKDONJSA-N 1 0 326.401 0.943 20 5 ECBDRO C[C@H]1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000598665725 439299648 /nfs/dbraw/zinc/29/96/48/439299648.db2.gz YYRLJDIXYQTFRQ-QWRGUYRKSA-N 1 0 335.364 0.925 20 5 ECBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000598743504 439312028 /nfs/dbraw/zinc/31/20/28/439312028.db2.gz SAAUSMKKXLTJFJ-UHFFFAOYSA-N 1 0 338.412 0.474 20 5 ECBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCOCCC[NH3+])c1C ZINC000599110131 439361321 /nfs/dbraw/zinc/36/13/21/439361321.db2.gz HVONEMYNXOJOGO-UHFFFAOYSA-N 1 0 331.394 0.855 20 5 ECBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCOCCC[NH3+] ZINC000599110250 439361671 /nfs/dbraw/zinc/36/16/71/439361671.db2.gz MZAWTZRDVOITAL-UHFFFAOYSA-N 1 0 331.394 0.801 20 5 ECBDRO CC(C)N1CC[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1=O ZINC000569715968 439356266 /nfs/dbraw/zinc/35/62/66/439356266.db2.gz XCYKOTWKOJSMIS-OLZOCXBDSA-N 1 0 337.376 0.933 20 5 ECBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1([NH3+])CCOCC1 ZINC000599101109 439357375 /nfs/dbraw/zinc/35/73/75/439357375.db2.gz HRFGMSUNQQUGOV-UHFFFAOYSA-N 1 0 329.378 0.689 20 5 ECBDRO CC[C@@H]1CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000599179046 439373021 /nfs/dbraw/zinc/37/30/21/439373021.db2.gz DNRJLCSVVLAPNT-VHSXEESVSA-N 1 0 328.394 0.819 20 5 ECBDRO CC[C@H](C(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000569980584 439379831 /nfs/dbraw/zinc/37/98/31/439379831.db2.gz GUJHDXIHWYMAMH-CQSZACIVSA-N 1 0 346.391 1.406 20 5 ECBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599274151 439411017 /nfs/dbraw/zinc/41/10/17/439411017.db2.gz MMXDDYUYSCNICO-JTQLQIEISA-N 1 0 345.425 0.679 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC000593650091 439435253 /nfs/dbraw/zinc/43/52/53/439435253.db2.gz QCGFESZOFLNRRE-CYBMUJFWSA-N 1 0 341.389 0.343 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC(N3CC[C@@H](O)C3)C2)c(F)c1 ZINC000593649935 439436278 /nfs/dbraw/zinc/43/62/78/439436278.db2.gz PNNMZMLWSOJPOG-LLVKDONJSA-N 1 0 345.352 0.173 20 5 ECBDRO C[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCC[C@@H](C)C1 ZINC000583376445 439456123 /nfs/dbraw/zinc/45/61/23/439456123.db2.gz NYGRBXHIDKYEGA-UMVBOHGHSA-N 1 0 325.413 0.862 20 5 ECBDRO NC(=O)c1ccc(CN2CCC([NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000599472229 439483265 /nfs/dbraw/zinc/48/32/65/439483265.db2.gz FCIPCMFMXPNTMR-UHFFFAOYSA-N 1 0 348.403 0.990 20 5 ECBDRO CN1CCC[C@H]([NH2+][C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000593921156 439496976 /nfs/dbraw/zinc/49/69/76/439496976.db2.gz PWVICHPXKDHBRN-FZMZJTMJSA-N 1 0 332.360 0.911 20 5 ECBDRO COCCN(C)C[C@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000593980909 439502661 /nfs/dbraw/zinc/50/26/61/439502661.db2.gz CZUILVPHODTUFT-AWEZNQCLSA-N 1 0 341.412 0.367 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594198954 439526278 /nfs/dbraw/zinc/52/62/78/439526278.db2.gz WMEULGDLIZIONK-KGLIPLIRSA-N 1 0 334.376 0.890 20 5 ECBDRO C[NH+](C)[C@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1O ZINC000594359205 439547460 /nfs/dbraw/zinc/54/74/60/439547460.db2.gz ZYELWIAMHJBPSW-STQMWFEESA-N 1 0 329.303 0.549 20 5 ECBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594393448 439554142 /nfs/dbraw/zinc/55/41/42/439554142.db2.gz NCKATRWFJNELQI-WDEREUQCSA-N 1 0 330.344 0.967 20 5 ECBDRO [NH3+]C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(F)(F)F ZINC000594451297 439562628 /nfs/dbraw/zinc/56/26/28/439562628.db2.gz JLHXNVNTRVQRQQ-JTQLQIEISA-N 1 0 335.238 0.985 20 5 ECBDRO COc1ccc(CNC(=O)NCCOCCC[NH3+])cc1[N+](=O)[O-] ZINC000599908008 439574225 /nfs/dbraw/zinc/57/42/25/439574225.db2.gz QVNUUBPGXJPXAX-UHFFFAOYSA-N 1 0 326.353 0.768 20 5 ECBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000609571499 439577966 /nfs/dbraw/zinc/57/79/66/439577966.db2.gz BHJLQKFYJZHKMG-GFCCVEGCSA-N 1 0 335.408 0.832 20 5 ECBDRO NS(=O)(=O)c1ccc(N2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000609595547 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326.784 0.812 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000248875328 243631444 /nfs/dbraw/zinc/63/14/44/243631444.db2.gz QNLCGGKWJPSMBJ-UHIISALHSA-N 1 0 334.376 0.970 20 5 ECBDRO C[C@H]1[NH2+]CCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)[C@@H]1C ZINC000262726166 245145761 /nfs/dbraw/zinc/14/57/61/245145761.db2.gz HFXZFUITSTZPMB-NXEZZACHSA-N 1 0 341.389 0.821 20 5 ECBDRO Cn1nccc1C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000080203242 217288469 /nfs/dbraw/zinc/28/84/69/217288469.db2.gz ZPXHZUQNJHFZIN-UHFFFAOYSA-N 1 0 339.377 0.396 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H](OCCO)C2)c1 ZINC000265198745 247289411 /nfs/dbraw/zinc/28/94/11/247289411.db2.gz JAIXLQPZFBWUMI-HOCLYGCPSA-N 1 0 340.376 0.808 20 5 ECBDRO CCOC(=O)N1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000266517607 248341235 /nfs/dbraw/zinc/34/12/35/248341235.db2.gz HHJXQKWZZXRYKK-ZDUSSCGKSA-N 1 0 341.368 0.316 20 5 ECBDRO 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CC(=O)N1CCN(c2ccc(C(=O)NC[C@H](C)[NH3+])cc2[N+](=O)[O-])CC1 ZINC000194867357 436673854 /nfs/dbraw/zinc/67/38/54/436673854.db2.gz ARYJJLRNVJYTNZ-NSHDSACASA-N 1 0 349.391 0.340 20 5 ECBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000195194111 436682516 /nfs/dbraw/zinc/68/25/16/436682516.db2.gz SSTBTNMHXYPOCL-HNNXBMFYSA-N 1 0 346.387 0.973 20 5 ECBDRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000237282385 436728914 /nfs/dbraw/zinc/72/89/14/436728914.db2.gz ZOCNWCXAAOVBBW-LLVKDONJSA-N 1 0 329.378 0.976 20 5 ECBDRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000237282316 436729653 /nfs/dbraw/zinc/72/96/53/436729653.db2.gz NUQGLEUVHPWFNA-SNVBAGLBSA-N 1 0 329.378 0.976 20 5 ECBDRO CS(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000237425072 436733904 /nfs/dbraw/zinc/73/39/04/436733904.db2.gz FRMGLACPMQOTTE-ZANVPECISA-N 1 0 341.389 0.856 20 5 ECBDRO CCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCS(=O)(=O)C1 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0.097 20 5 ECBDRO CO[C@H]1C[C@@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)[N@H+](C)C1 ZINC000332404445 437221543 /nfs/dbraw/zinc/22/15/43/437221543.db2.gz WNHJTESSQABXKP-BBRMVZONSA-N 1 0 348.403 0.963 20 5 ECBDRO C[C@H]1[NH2+]CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000277550539 437231734 /nfs/dbraw/zinc/23/17/34/437231734.db2.gz YRCBCCKJXFAKDQ-VXGBXAGGSA-N 1 0 334.376 0.924 20 5 ECBDRO COCC[N@H+](C)C[C@H](O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000326754913 437234434 /nfs/dbraw/zinc/23/44/34/437234434.db2.gz MGASNPNLSYGEBC-NSHDSACASA-N 1 0 337.332 0.130 20 5 ECBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000179008975 437245556 /nfs/dbraw/zinc/24/55/56/437245556.db2.gz ZIDUEHGCMUYFBZ-LLVKDONJSA-N 1 0 330.348 0.857 20 5 ECBDRO CC[NH+]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000277693954 437246782 /nfs/dbraw/zinc/24/67/82/437246782.db2.gz ZYINZYHLUJWQAY-UHFFFAOYSA-N 1 0 336.392 0.971 20 5 ECBDRO CNC(=O)CCC[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182244524 437343580 /nfs/dbraw/zinc/34/35/80/437343580.db2.gz JRBCPWASNAWQBU-GFCCVEGCSA-N 1 0 325.365 0.793 20 5 ECBDRO C[NH+]1CCN(CCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000279094938 437373381 /nfs/dbraw/zinc/37/33/81/437373381.db2.gz GRDAPSVQKFXZHS-UHFFFAOYSA-N 1 0 337.336 0.480 20 5 ECBDRO CC(C)[C@](C)([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(N)=O ZINC000289356294 437403526 /nfs/dbraw/zinc/40/35/26/437403526.db2.gz NONHLXQXYROMFC-INIZCTEOSA-N 1 0 334.376 0.974 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCN(c3ccccn3)CC2)c1 ZINC000183845802 437393821 /nfs/dbraw/zinc/39/38/21/437393821.db2.gz RIALZZBCICBCKI-HNNXBMFYSA-N 1 0 346.391 0.760 20 5 ECBDRO O=C(NCC1=CC[NH2+]CC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000186365226 437471936 /nfs/dbraw/zinc/47/19/36/437471936.db2.gz GBHGPEBTLVUPKM-UHFFFAOYSA-N 1 0 328.332 0.825 20 5 ECBDRO C[NH2+][C@@H]1CCN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000269122314 437457508 /nfs/dbraw/zinc/45/75/08/437457508.db2.gz KCXHHYFAZCRXMM-SNVBAGLBSA-N 1 0 338.389 0.606 20 5 ECBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCN1CCCOCC1 ZINC000189090394 437583376 /nfs/dbraw/zinc/58/33/76/437583376.db2.gz NQHFFMXRXSGTOM-UHFFFAOYSA-N 1 0 343.405 0.904 20 5 ECBDRO COc1ccc(NC(=O)C(=O)NCC[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000360753819 437646396 /nfs/dbraw/zinc/64/63/96/437646396.db2.gz LRIAVQUXHUFUOD-UHFFFAOYSA-N 1 0 338.364 0.998 20 5 ECBDRO COc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000360753844 437646566 /nfs/dbraw/zinc/64/65/66/437646566.db2.gz LVXGLODVVJCGGC-JTQLQIEISA-N 1 0 336.348 0.610 20 5 ECBDRO C[NH+](C)CCN1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000192821657 437690604 /nfs/dbraw/zinc/69/06/04/437690604.db2.gz CESQJTDZSPBKBN-UHFFFAOYSA-N 1 0 336.392 0.679 20 5 ECBDRO CCc1n[nH]c(C(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000192911403 437694199 /nfs/dbraw/zinc/69/41/99/437694199.db2.gz OEBFEMWBHZAIIG-JTQLQIEISA-N 1 0 339.396 0.798 20 5 ECBDRO Nc1c(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)cc(F)cc1[N+](=O)[O-] ZINC000340858125 437752287 /nfs/dbraw/zinc/75/22/87/437752287.db2.gz YJDHWVZEOMOVAU-LLVKDONJSA-N 1 0 340.355 0.893 20 5 ECBDRO CN(C(=O)CN1c2cc([N+](=O)[O-])ccc2OCC1=O)[C@H](C[NH3+])C1CC1 ZINC000423942197 437865014 /nfs/dbraw/zinc/86/50/14/437865014.db2.gz DLKLYJHFYNUCQG-CYBMUJFWSA-N 1 0 348.359 0.516 20 5 ECBDRO CN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C[NH3+])C1CC1 ZINC000423943573 437865490 /nfs/dbraw/zinc/86/54/90/437865490.db2.gz CUJXBCXGYXQKLV-AWEZNQCLSA-N 1 0 334.376 0.910 20 5 ECBDRO COc1ccc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000415904027 437880373 /nfs/dbraw/zinc/88/03/73/437880373.db2.gz ZHKPJZGFIKFBCQ-QWRGUYRKSA-N 1 0 348.359 0.610 20 5 ECBDRO C[NH2+]CCCN(C)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000424037150 437881820 /nfs/dbraw/zinc/88/18/20/437881820.db2.gz VMZJOQPRUSKUNI-UHFFFAOYSA-N 1 0 340.405 0.854 20 5 ECBDRO Cn1cc([C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C[C@H]2[NH3+])cn1 ZINC000424221987 437903523 /nfs/dbraw/zinc/90/35/23/437903523.db2.gz DIRRLMINQWAECO-NWDGAFQWSA-N 1 0 348.338 0.617 20 5 ECBDRO Cn1cc([C@@H]2CN(C(=O)c3c(N)cccc3[N+](=O)[O-])C[C@H]2[NH3+])cn1 ZINC000424221933 437904144 /nfs/dbraw/zinc/90/41/44/437904144.db2.gz DDIROEGNTSQFQB-CMPLNLGQSA-N 1 0 330.348 0.477 20 5 ECBDRO C[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1CCO ZINC000416291694 437904754 /nfs/dbraw/zinc/90/47/54/437904754.db2.gz HXGGWVZAXOSGMX-OLZOCXBDSA-N 1 0 336.392 0.920 20 5 ECBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000357303390 437959284 /nfs/dbraw/zinc/95/92/84/437959284.db2.gz IEXPDBYWURNGKP-ZDUSSCGKSA-N 1 0 348.363 0.614 20 5 ECBDRO Cc1sc(S(=O)(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000342502315 438021773 /nfs/dbraw/zinc/02/17/73/438021773.db2.gz GAZJMJBBHNHZPG-LLVKDONJSA-N 1 0 335.407 0.310 20 5 ECBDRO [NH3+]C1(CNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCC1 ZINC000342532190 438026875 /nfs/dbraw/zinc/02/68/75/438026875.db2.gz UHEDLERBHBAFMY-UHFFFAOYSA-N 1 0 343.361 0.526 20 5 ECBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000417233154 438031693 /nfs/dbraw/zinc/03/16/93/438031693.db2.gz NQLZXZPZGDVNPE-INIZCTEOSA-N 1 0 347.419 0.826 20 5 ECBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000417904905 438088956 /nfs/dbraw/zinc/08/89/56/438088956.db2.gz AYQKUFYKKKCVJX-AWEZNQCLSA-N 1 0 336.396 0.965 20 5 ECBDRO COC(=O)[C@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCC2 ZINC000373182301 438133593 /nfs/dbraw/zinc/13/35/93/438133593.db2.gz HPWDBGVIDBMHQL-CHWSQXEVSA-N 1 0 338.364 0.427 20 5 ECBDRO [NH3+]CCCNC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418310487 438129372 /nfs/dbraw/zinc/12/93/72/438129372.db2.gz JXIAHWGGQVVRRI-UHFFFAOYSA-N 1 0 335.364 0.411 20 5 ECBDRO C[C@H](NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000418792151 438190862 /nfs/dbraw/zinc/19/08/62/438190862.db2.gz ZLHWRKPCEPIQAN-IACUBPJLSA-N 1 0 346.387 0.840 20 5 ECBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCO[C@H]3C[NH2+]C[C@H]32)c1 ZINC000366987468 438151715 /nfs/dbraw/zinc/15/17/15/438151715.db2.gz IERVGBLVIMMEDP-OLZOCXBDSA-N 1 0 327.362 0.097 20 5 ECBDRO COc1ccc(NC(=O)CCN2CCO[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000358123774 438159954 /nfs/dbraw/zinc/15/99/54/438159954.db2.gz NOTLJRFBIHYBCJ-LBPRGKRZSA-N 1 0 338.364 0.592 20 5 ECBDRO C[C@H]1CN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000418875186 438230870 /nfs/dbraw/zinc/23/08/70/438230870.db2.gz WCJHWFQDMGHIPE-RYUDHWBXSA-N 1 0 334.376 0.462 20 5 ECBDRO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCCC1 ZINC000358695229 438283315 /nfs/dbraw/zinc/28/33/15/438283315.db2.gz CNNBQCIEBMKRQX-UHFFFAOYSA-N 1 0 349.391 0.606 20 5 ECBDRO CC1(CNC(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000418918787 438248373 /nfs/dbraw/zinc/24/83/73/438248373.db2.gz DCECJDWCRYWRLW-UHFFFAOYSA-N 1 0 348.403 0.759 20 5 ECBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000419032181 438296860 /nfs/dbraw/zinc/29/68/60/438296860.db2.gz ARZHDUNBZPTTEP-JSGCOSHPSA-N 1 0 348.403 0.982 20 5 ECBDRO O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419040103 438300579 /nfs/dbraw/zinc/30/05/79/438300579.db2.gz LWGSCXVNFFBPEV-KGLIPLIRSA-N 1 0 346.387 0.606 20 5 ECBDRO CO[C@@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000359052929 438348766 /nfs/dbraw/zinc/34/87/66/438348766.db2.gz HGCUNKYHZSIPSY-HUUCEWRRSA-N 1 0 336.392 0.996 20 5 ECBDRO CSC1(CNC(=O)c2c([N+](=O)[O-])cnn2C)CC[NH+](C)CC1 ZINC000359284450 438403026 /nfs/dbraw/zinc/40/30/26/438403026.db2.gz VMJKGFJGSWCYNK-UHFFFAOYSA-N 1 0 327.410 0.886 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])c([N+](=O)[O-])n1 ZINC000420425982 438406692 /nfs/dbraw/zinc/40/66/92/438406692.db2.gz UCPZOJMXWMKCRK-VHSXEESVSA-N 1 0 331.398 0.559 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](CCO)[C@@H]2CCCSC2)c1 ZINC000439002366 438494826 /nfs/dbraw/zinc/49/48/26/438494826.db2.gz PLYYYYAIVNNZJT-YPMHNXCESA-N 1 0 330.410 0.342 20 5 ECBDRO C[NH+](C)[C@]1(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCSC1 ZINC000359683737 438477568 /nfs/dbraw/zinc/47/75/68/438477568.db2.gz XCMQMHVTJPMDTK-AWEZNQCLSA-N 1 0 340.405 0.310 20 5 ECBDRO CNC(=O)[C@@H]1CC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000420981090 438456670 /nfs/dbraw/zinc/45/66/70/438456670.db2.gz VOKZNHOMSROTSD-LLVKDONJSA-N 1 0 348.359 0.961 20 5 ECBDRO CC(C)[C@H](O)C[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420978960 438456813 /nfs/dbraw/zinc/45/68/13/438456813.db2.gz XXYPWSUSRXQNKX-CQSZACIVSA-N 1 0 345.421 0.822 20 5 ECBDRO C[NH+](C)CCOC1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000439413923 438511168 /nfs/dbraw/zinc/51/11/68/438511168.db2.gz VCVMVRUACQJVBG-UHFFFAOYSA-N 1 0 338.364 0.878 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H](c3ccncn3)C2)c1 ZINC000369783919 438514180 /nfs/dbraw/zinc/51/41/80/438514180.db2.gz XICGMQUCTBXBRP-OCCSQVGLSA-N 1 0 332.364 0.822 20 5 ECBDRO CO[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H](C[NH3+])C1 ZINC000440834574 438566500 /nfs/dbraw/zinc/56/65/00/438566500.db2.gz AKEASTQQMQUGNP-RKDXNWHRSA-N 1 0 335.407 0.783 20 5 ECBDRO Cc1c(CC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cccc1[N+](=O)[O-] ZINC000422756299 438604889 /nfs/dbraw/zinc/60/48/89/438604889.db2.gz GUSSMJAGFANNPZ-CQSZACIVSA-N 1 0 348.403 0.759 20 5 ECBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000423306882 438659463 /nfs/dbraw/zinc/65/94/63/438659463.db2.gz MGUGVGBHNSUHII-YPMHNXCESA-N 1 0 346.387 0.675 20 5 ECBDRO Cn1c2cc([N+](=O)[O-])c(N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)cc2n(C)c1=O ZINC000588035475 438813210 /nfs/dbraw/zinc/81/32/10/438813210.db2.gz BTUARKRVUKETOI-PHIMTYICSA-N 1 0 331.376 0.783 20 5 ECBDRO C[NH+](C)[C@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C[C@@H]1O ZINC000577229542 438826384 /nfs/dbraw/zinc/82/63/84/438826384.db2.gz MBTADBQXKMIQFL-GJZGRUSLSA-N 1 0 345.359 0.732 20 5 ECBDRO Cn1ccnc1C(=O)c1ccc(N[C@@H](CO)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000589101525 438855568 /nfs/dbraw/zinc/85/55/68/438855568.db2.gz HPVWRYPOJTVWLL-GFCCVEGCSA-N 1 0 347.375 0.894 20 5 ECBDRO CO[C@]1(CO)CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000595658460 438840979 /nfs/dbraw/zinc/84/09/79/438840979.db2.gz JLJYJUDYDXGRAT-XJKSGUPXSA-N 1 0 340.376 0.808 20 5 ECBDRO COC(=O)C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000595663036 438842238 /nfs/dbraw/zinc/84/22/38/438842238.db2.gz GIYHINPEWGIRNX-CQSZACIVSA-N 1 0 340.380 0.960 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CCN2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000601326971 438847316 /nfs/dbraw/zinc/84/73/16/438847316.db2.gz HYDXSVFTZRSQMW-TXEJJXNPSA-N 1 0 325.390 0.805 20 5 ECBDRO O=C1[C@H](N2CCC([NH2+]CCO)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000601328048 438848515 /nfs/dbraw/zinc/84/85/15/438848515.db2.gz FHPDBZZHTVCIBQ-MRXNPFEDSA-N 1 0 348.403 0.746 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000564995504 438902452 /nfs/dbraw/zinc/90/24/52/438902452.db2.gz LVIYSZALZSOZRH-CHWSQXEVSA-N 1 0 334.376 0.605 20 5 ECBDRO [NH3+]C[C@H](NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000577833254 438874252 /nfs/dbraw/zinc/87/42/52/438874252.db2.gz ITTXSGXGNCHPQB-AWEZNQCLSA-N 1 0 334.376 0.845 20 5 ECBDRO O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000515621285 438875940 /nfs/dbraw/zinc/87/59/40/438875940.db2.gz VLGWYZHVUVEHQH-OLZOCXBDSA-N 1 0 332.360 0.279 20 5 ECBDRO [NH3+]C[C@@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000515620840 438876562 /nfs/dbraw/zinc/87/65/62/438876562.db2.gz LYOVPBPIMYMJQA-CYBMUJFWSA-N 1 0 334.380 0.559 20 5 ECBDRO NC(=O)c1ccnc(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000589559073 438877404 /nfs/dbraw/zinc/87/74/04/438877404.db2.gz MUGGOZMOBRBAEA-LBPRGKRZSA-N 1 0 349.391 0.780 20 5 ECBDRO CC(C)[NH2+]CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000595920825 438884913 /nfs/dbraw/zinc/88/49/13/438884913.db2.gz XGFVKXPJZOEJAS-UHFFFAOYSA-N 1 0 340.405 0.939 20 5 ECBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000577962481 438885806 /nfs/dbraw/zinc/88/58/06/438885806.db2.gz WBHDOVNGJOKUDT-JTQLQIEISA-N 1 0 325.369 0.395 20 5 ECBDRO C[C@](CO)(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000577953140 438885917 /nfs/dbraw/zinc/88/59/17/438885917.db2.gz SEYGTXVVKKHSEX-IAGOWNOFSA-N 1 0 348.403 0.983 20 5 ECBDRO C[NH+](C)CC1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000601423929 438889111 /nfs/dbraw/zinc/88/91/11/438889111.db2.gz RDSXBIDBBWSQDP-UHFFFAOYSA-N 1 0 327.406 0.961 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000589930337 438893711 /nfs/dbraw/zinc/89/37/11/438893711.db2.gz WNJSYQLDCBXNMB-GWCFXTLKSA-N 1 0 341.389 0.928 20 5 ECBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCOC2(C[NH2+]C2)C1 ZINC000596097866 438925094 /nfs/dbraw/zinc/92/50/94/438925094.db2.gz HXWBYWTUSAOOGV-UHFFFAOYSA-N 1 0 343.343 0.595 20 5 ECBDRO CN(CC(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1)c1ccccc1[N+](=O)[O-] ZINC000590551475 438931738 /nfs/dbraw/zinc/93/17/38/438931738.db2.gz YIHTVXOYNDWSAZ-UONOGXRCSA-N 1 0 348.403 0.699 20 5 ECBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596175335 438935881 /nfs/dbraw/zinc/93/58/81/438935881.db2.gz RSMACEBCLLSMQZ-GFCCVEGCSA-N 1 0 334.380 0.491 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000590587034 438936983 /nfs/dbraw/zinc/93/69/83/438936983.db2.gz ZOZPEMBUOMZCEW-RYUDHWBXSA-N 1 0 329.378 0.199 20 5 ECBDRO C[C@H]1COCCN1CCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000517542826 438967146 /nfs/dbraw/zinc/96/71/46/438967146.db2.gz QGTLYJWVWXTQMX-AWEZNQCLSA-N 1 0 335.408 0.833 20 5 ECBDRO C[C@H]1C[N@H+](CCCNC(=O)c2ccnc(N)c2[N+](=O)[O-])CCCO1 ZINC000579971064 439053343 /nfs/dbraw/zinc/05/33/43/439053343.db2.gz SLHASODEGJNKIV-NSHDSACASA-N 1 0 337.380 0.803 20 5 ECBDRO COc1ccccc1[C@H]([NH3+])CNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000591680814 439059537 /nfs/dbraw/zinc/05/95/37/439059537.db2.gz JRXFBJLWUGKQQZ-GFCCVEGCSA-N 1 0 333.348 0.925 20 5 ECBDRO C[C@@H]1CN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C[C@H](C)[NH2+]1 ZINC000591578197 439023657 /nfs/dbraw/zinc/02/36/57/439023657.db2.gz QVKKKFUSAXFNJE-TXEJJXNPSA-N 1 0 346.387 0.688 20 5 ECBDRO C[C@@]1(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C[NH2+]CCO1 ZINC000602474987 439093007 /nfs/dbraw/zinc/09/30/07/439093007.db2.gz SHCDXXCJKBYPHG-INIZCTEOSA-N 1 0 334.376 0.622 20 5 ECBDRO O=C(CC[NH2+]CCN1C(=O)CNC1=O)Nc1ccccc1[N+](=O)[O-] ZINC000580305830 439080932 /nfs/dbraw/zinc/08/09/32/439080932.db2.gz WLRNRFHTGVJUFU-UHFFFAOYSA-N 1 0 335.320 0.065 20 5 ECBDRO Cc1cn2c(n1)[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000591757159 439081567 /nfs/dbraw/zinc/08/15/67/439081567.db2.gz MONQHSVGGUORPC-GXTWGEPZSA-N 1 0 334.380 0.824 20 5 ECBDRO COC[C@](C)(O)CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591769554 439082325 /nfs/dbraw/zinc/08/23/25/439082325.db2.gz SLRQQXLKZWYBLO-CQSZACIVSA-N 1 0 346.405 0.746 20 5 ECBDRO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1SC ZINC000592167959 439168725 /nfs/dbraw/zinc/16/87/25/439168725.db2.gz RKOWEFBOUMZBQC-LPWJVIDDSA-N 1 0 330.410 0.651 20 5 ECBDRO O=C(NC1CC[NH2+]CC1)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000580764635 439127057 /nfs/dbraw/zinc/12/70/57/439127057.db2.gz DGHSJYWEARUPJQ-UHFFFAOYSA-N 1 0 332.360 0.348 20 5 ECBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000602790497 439135205 /nfs/dbraw/zinc/13/52/05/439135205.db2.gz JVNGXLTTXQGSPE-OAHLLOKOSA-N 1 0 336.440 0.812 20 5 ECBDRO C[N@@H+]1CC[C@](O)(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000487168037 439137695 /nfs/dbraw/zinc/13/76/95/439137695.db2.gz ZAKDDHLRAJBJRW-AWEZNQCLSA-N 1 0 329.303 0.598 20 5 ECBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000597653868 439150469 /nfs/dbraw/zinc/15/04/69/439150469.db2.gz NLWFSZFTUFOANR-VIFPVBQESA-N 1 0 333.291 0.849 20 5 ECBDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000597943083 439201743 /nfs/dbraw/zinc/20/17/43/439201743.db2.gz UCOIBDIOWXKSDR-LBPRGKRZSA-N 1 0 326.401 0.180 20 5 ECBDRO C[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CO1 ZINC000592365751 439212291 /nfs/dbraw/zinc/21/22/91/439212291.db2.gz YWHFQWHIFGSQNU-GHMZBOCLSA-N 1 0 329.378 0.640 20 5 ECBDRO O=C1CCCN1[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000525784093 439215589 /nfs/dbraw/zinc/21/55/89/439215589.db2.gz ZEEXBQRKNGLGSG-TZMCWYRMSA-N 1 0 337.380 0.239 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)n1 ZINC000598538517 439275857 /nfs/dbraw/zinc/27/58/57/439275857.db2.gz AOMXCIXNFHXSBR-LLVKDONJSA-N 1 0 325.369 0.511 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H](O)[C@@H]2CCOC2)c1 ZINC000581884487 439260306 /nfs/dbraw/zinc/26/03/06/439260306.db2.gz LLPWPPJRLGHFDS-KYOSRNDESA-N 1 0 326.349 0.322 20 5 ECBDRO CNc1ccc(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000603497483 439266783 /nfs/dbraw/zinc/26/67/83/439266783.db2.gz GFHKMAXFOJGEIY-UHFFFAOYSA-N 1 0 349.391 0.483 20 5 ECBDRO C[NH2+][C@@H](C)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000582311435 439319601 /nfs/dbraw/zinc/31/96/01/439319601.db2.gz MXPJBOAASKFHBI-VIFPVBQESA-N 1 0 326.378 0.549 20 5 ECBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c1 ZINC000582090144 439288493 /nfs/dbraw/zinc/28/84/93/439288493.db2.gz MKGKRMRHSQYRHA-KBPBESRZSA-N 1 0 337.376 0.805 20 5 ECBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000592882880 439297439 /nfs/dbraw/zinc/29/74/39/439297439.db2.gz ZUCKCTCMSZUNBP-VIFPVBQESA-N 1 0 326.378 0.848 20 5 ECBDRO O=C(NCC(=O)N1CC[C@]2(CC[NH2+]C2)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000598664599 439297920 /nfs/dbraw/zinc/29/79/20/439297920.db2.gz HBUFGBLSEUASEU-INIZCTEOSA-N 1 0 347.375 0.928 20 5 ECBDRO CN(C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H](C[NH3+])C1CC1 ZINC000598668376 439300728 /nfs/dbraw/zinc/30/07/28/439300728.db2.gz NMDBOWKUJMUUDL-ZDUSSCGKSA-N 1 0 335.364 0.912 20 5 ECBDRO C[C@@H](CCC[NH3+])NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000582240905 439308497 /nfs/dbraw/zinc/30/84/97/439308497.db2.gz RKPHJIGRASVSHV-VIFPVBQESA-N 1 0 329.378 0.856 20 5 ECBDRO C[NH2+]CCOCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000599108239 439359540 /nfs/dbraw/zinc/35/95/40/439359540.db2.gz UJZBEWBUCYBYNE-UHFFFAOYSA-N 1 0 331.394 0.760 20 5 ECBDRO C[NH2+]CCOCCNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000599108298 439360307 /nfs/dbraw/zinc/36/03/07/439360307.db2.gz WKMISAUKUXRCMB-UHFFFAOYSA-N 1 0 331.394 0.726 20 5 ECBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3cccc(S(N)(=O)=O)c3[N+](=O)[O-])C[C@H]21 ZINC000599084790 439353912 /nfs/dbraw/zinc/35/39/12/439353912.db2.gz YOPRIOODQDPNAF-GDGBQDQQSA-N 1 0 326.378 0.238 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]([NH3+])c2ccccc2)n1 ZINC000599097925 439354644 /nfs/dbraw/zinc/35/46/44/439354644.db2.gz MXNMUVQEFPPWFF-SNVBAGLBSA-N 1 0 325.350 0.307 20 5 ECBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593234764 439354993 /nfs/dbraw/zinc/35/49/93/439354993.db2.gz JLSIHXCOPRICFB-UHFFFAOYSA-N 1 0 334.376 0.749 20 5 ECBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000593235229 439355201 /nfs/dbraw/zinc/35/52/01/439355201.db2.gz PKNBDWVVIFVISA-UHFFFAOYSA-N 1 0 334.376 0.749 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000582677995 439367123 /nfs/dbraw/zinc/36/71/23/439367123.db2.gz ZDHCQCSQIRODEF-QWHCGFSZSA-N 1 0 347.375 0.086 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)n1 ZINC000599228921 439391122 /nfs/dbraw/zinc/39/11/22/439391122.db2.gz NOAFMSUBMJBJHM-SNVBAGLBSA-N 1 0 329.382 0.091 20 5 ECBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000599245853 439397124 /nfs/dbraw/zinc/39/71/24/439397124.db2.gz YHIXJNKRAGBPRI-QWRGUYRKSA-N 1 0 345.425 0.822 20 5 ECBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599245638 439397602 /nfs/dbraw/zinc/39/76/02/439397602.db2.gz VOOVPKPQBRFCNG-UWVGGRQHSA-N 1 0 331.398 0.289 20 5 ECBDRO Cn1cc(N2CCC[C@H]([NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000570038050 439385569 /nfs/dbraw/zinc/38/55/69/439385569.db2.gz RRLRCVOBXPPYGX-SWLSCSKDSA-N 1 0 349.395 0.144 20 5 ECBDRO C[NH+](C)CCN1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1=O ZINC000593486167 439387592 /nfs/dbraw/zinc/38/75/92/439387592.db2.gz NUSHMKUKQYZAFU-UHFFFAOYSA-N 1 0 333.392 0.773 20 5 ECBDRO C[C@@H]1CN(CCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000583603189 439485970 /nfs/dbraw/zinc/48/59/70/439485970.db2.gz KHLDJMUSZHPRIF-NFAWXSAZSA-N 1 0 341.412 0.241 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)NCCC2(C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000593914072 439494960 /nfs/dbraw/zinc/49/49/60/439494960.db2.gz GUGKRUOFKGBROJ-UHFFFAOYSA-N 1 0 334.376 0.878 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594025180 439508361 /nfs/dbraw/zinc/50/83/61/439508361.db2.gz CQENTZLCXCCGDD-BFHYXJOUSA-N 1 0 337.376 0.085 20 5 ECBDRO CNc1nccc(C(=O)NCCC[NH+]2CCC(O)CC2)c1[N+](=O)[O-] ZINC000594301520 439537047 /nfs/dbraw/zinc/53/70/47/439537047.db2.gz RQNAJGFFSJYSLM-UHFFFAOYSA-N 1 0 337.380 0.608 20 5 ECBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccnc(NC)c3[N+](=O)[O-])[C@H]2C1 ZINC000594367074 439548717 /nfs/dbraw/zinc/54/87/17/439548717.db2.gz DBRXBFYXJFAITD-QWHCGFSZSA-N 1 0 349.391 0.967 20 5 ECBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594393770 439554290 /nfs/dbraw/zinc/55/42/90/439554290.db2.gz PHNFDGRKYIUKFH-NWDGAFQWSA-N 1 0 330.344 0.967 20 5 ECBDRO [NH3+]C[C@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000594450936 439562139 /nfs/dbraw/zinc/56/21/39/439562139.db2.gz WZMJEALZPILVOO-JTQLQIEISA-N 1 0 348.281 0.721 20 5 ECBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000609307118 439563745 /nfs/dbraw/zinc/56/37/45/439563745.db2.gz QYSUGJWAKJFOBE-CYBMUJFWSA-N 1 0 335.364 0.477 20 5 ECBDRO C[C@H](CN1CCC[C@@H](C)C1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000583807489 439512947 /nfs/dbraw/zinc/51/29/47/439512947.db2.gz NMVZZVCPKFTFTB-UMVBOHGHSA-N 1 0 325.413 0.862 20 5 ECBDRO CCN(CC[NH3+])C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000599888142 439571232 /nfs/dbraw/zinc/57/12/32/439571232.db2.gz QRNLXSGALYXYHQ-UHFFFAOYSA-N 1 0 346.290 0.942 20 5 ECBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000599898797 439571642 /nfs/dbraw/zinc/57/16/42/439571642.db2.gz XMPHPYKFVIKCMP-NSHDSACASA-N 1 0 336.348 0.200 20 5 ECBDRO C[C@@H]1CC[C@H](NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C[NH2+]1 ZINC000599933494 439576676 /nfs/dbraw/zinc/57/66/76/439576676.db2.gz KNWNFEJSNTZGIL-OLZOCXBDSA-N 1 0 348.407 0.962 20 5 ECBDRO Cc1n[nH]c(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000609571779 439577929 /nfs/dbraw/zinc/57/79/29/439577929.db2.gz JKQHNNDACNPOCC-NSHDSACASA-N 1 0 336.396 0.525 20 5 ECBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000599937694 439579068 /nfs/dbraw/zinc/57/90/68/439579068.db2.gz IAVSPIUOEDJFEG-WDEREUQCSA-N 1 0 349.343 0.605 20 5 ECBDRO O=C(NC[C@H]1COCC[NH2+]1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000599941190 439580263 /nfs/dbraw/zinc/58/02/63/439580263.db2.gz SGXHZERGVLLZEN-NSHDSACASA-N 1 0 336.348 0.356 20 5 ECBDRO CCOC(=O)c1ccnc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1[N+](=O)[O-] ZINC000594604271 439581522 /nfs/dbraw/zinc/58/15/22/439581522.db2.gz VOFUTNCJHVXROA-WDEREUQCSA-N 1 0 336.348 0.422 20 5 ECBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000599946502 439582504 /nfs/dbraw/zinc/58/25/04/439582504.db2.gz HXGFVJNQVXSBFF-SWLSCSKDSA-N 1 0 348.403 0.900 20 5 ECBDRO Cc1c(CNC(=O)C(=O)NCCOCCC[NH3+])cccc1[N+](=O)[O-] ZINC000599949578 439584214 /nfs/dbraw/zinc/58/42/14/439584214.db2.gz HMVSNUKIASNBJZ-UHFFFAOYSA-N 1 0 338.364 0.001 20 5 ECBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@H]21 ZINC000599989365 439589629 /nfs/dbraw/zinc/58/96/29/439589629.db2.gz 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C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H]1C[NH3+] ZINC000595109856 439654807 /nfs/dbraw/zinc/65/48/07/439654807.db2.gz WEYADPBZWNBXKD-MXWKQRLJSA-N 1 0 328.394 0.984 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595119962 439655877 /nfs/dbraw/zinc/65/58/77/439655877.db2.gz COZXPUCQNUPZDN-NXEZZACHSA-N 1 0 333.341 0.663 20 5 ECBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000600469401 439666445 /nfs/dbraw/zinc/66/64/45/439666445.db2.gz APCQNAPIANBFFF-CYBMUJFWSA-N 1 0 334.376 0.890 20 5 ECBDRO CN1CCOC[C@@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000600763308 439700662 /nfs/dbraw/zinc/70/06/62/439700662.db2.gz TZXKJUFNXFGEKP-UONOGXRCSA-N 1 0 325.365 0.255 20 5 ECBDRO CC(C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C(=O)N1CCCC1 ZINC000611395374 439695097 /nfs/dbraw/zinc/69/50/97/439695097.db2.gz ILQGZWCBCGFCPP-HNNXBMFYSA-N 1 0 336.392 0.993 20 5 ECBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 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528582435 /nfs/dbraw/zinc/58/24/35/528582435.db2.gz NZURTJNWTVDHQP-CQSZACIVSA-N 1 0 339.396 0.701 20 5 ECBDRO CN(C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000262575405 536002637 /nfs/dbraw/zinc/00/26/37/536002637.db2.gz IPKHVSOXXLXMAK-JTQLQIEISA-N 1 0 338.389 0.606 20 5 ECBDRO Cc1n[nH]c(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000619871471 546376350 /nfs/dbraw/zinc/37/63/50/546376350.db2.gz JVLNWDGNGWNJQV-GFCCVEGCSA-N 1 0 337.380 0.953 20 5 ECBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000619873717 546376483 /nfs/dbraw/zinc/37/64/83/546376483.db2.gz RVCVIBLJNUCWFB-AWEZNQCLSA-N 1 0 334.376 0.480 20 5 ECBDRO Cc1nn(CN2CC[NH+](CC(C)(C)O)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749953951 579345020 /nfs/dbraw/zinc/34/50/20/579345020.db2.gz HAKIHONSROEQSU-UHFFFAOYSA-N 1 0 348.407 0.994 20 5 ECBDRO NC(=O)C1([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000750049694 579346597 /nfs/dbraw/zinc/34/65/97/579346597.db2.gz FOFUGDTZGNHBEA-UHFFFAOYSA-N 1 0 332.360 0.872 20 5 ECBDRO C[NH+](C)CCn1cc(Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)cn1 ZINC000736770571 578450801 /nfs/dbraw/zinc/45/08/01/578450801.db2.gz AJCMZVUVIVTYGK-UHFFFAOYSA-N 1 0 344.339 0.672 20 5 ECBDRO CCS(=O)(=O)N(C)CCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776276410 579279561 /nfs/dbraw/zinc/27/95/61/579279561.db2.gz JNKCNWFHNDBDHZ-CQSZACIVSA-N 1 0 345.421 0.889 20 5 ECBDRO COCC[NH2+]CCNC(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000841202366 588981916 /nfs/dbraw/zinc/98/19/16/588981916.db2.gz FQJTYXODYOKIII-UHFFFAOYSA-N 1 0 342.327 0.333 20 5 ECBDRO Cn1cc([C@@H](O)C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000843091857 589049992 /nfs/dbraw/zinc/04/99/92/589049992.db2.gz LYGOHJBUYGRVJU-AWEZNQCLSA-N 1 0 333.348 0.980 20 5 ECBDRO CN(CC[N@H+](C)CCO)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000894592421 586403653 /nfs/dbraw/zinc/40/36/53/586403653.db2.gz XIOGSRKQIKYOHB-UHFFFAOYSA-N 1 0 325.291 0.707 20 5 ECBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000841212721 586406461 /nfs/dbraw/zinc/40/64/61/586406461.db2.gz GFXLLIPVGWYFNT-VIFPVBQESA-N 1 0 340.311 0.167 20 5 ECBDRO Cn1c(=O)c([N+](=O)[O-])c(N2CC[C@@](O)(C[NH+](C)C)C2)c2ccccc21 ZINC000895008688 586424844 /nfs/dbraw/zinc/42/48/44/586424844.db2.gz CPPUZLWTHDLDRU-QGZVFWFLSA-N 1 0 346.387 0.950 20 5 ECBDRO O=C(N1CCNCC[NH2+]CC1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000900476020 586637016 /nfs/dbraw/zinc/63/70/16/586637016.db2.gz WCIMQENLRHKOHL-UHFFFAOYSA-N 1 0 344.318 0.588 20 5 ECBDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3cccnc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000907554516 586734518 /nfs/dbraw/zinc/73/45/18/586734518.db2.gz NFAADYDDSNHBRW-MFKMUULPSA-N 1 0 326.378 0.562 20 5 ECBDRO [NH3+]C[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000843368299 589064187 /nfs/dbraw/zinc/06/41/87/589064187.db2.gz QJDPJOKGOBJZLU-SNVBAGLBSA-N 1 0 328.756 0.846 20 5 ECBDRO CC[NH2+]CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000843392194 589065546 /nfs/dbraw/zinc/06/55/46/589065546.db2.gz JCIGCOGPDFBWES-UHFFFAOYSA-N 1 0 326.378 0.550 20 5 ECBDRO COCC[C@@H]1C[NH2+]CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000903830540 586818561 /nfs/dbraw/zinc/81/85/61/586818561.db2.gz DVQNAQWPGMZRGN-OAHLLOKOSA-N 1 0 336.392 0.868 20 5 ECBDRO COCC[C@H]1C[NH2+]CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000903840376 586819838 /nfs/dbraw/zinc/81/98/38/586819838.db2.gz QEFXLRMBNGLUAB-LSDHHAIUSA-N 1 0 339.392 0.645 20 5 ECBDRO O=C(CC[N@H+]1CCC[C@@](O)(CO)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000839147826 586838344 /nfs/dbraw/zinc/83/83/44/586838344.db2.gz SBORZAHIKARPFK-HNNXBMFYSA-N 1 0 341.339 0.882 20 5 ECBDRO CN1CC[N@H+](C)CC(C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000905332966 586886810 /nfs/dbraw/zinc/88/68/10/586886810.db2.gz QZMSQVZLVMVKGF-UHFFFAOYSA-N 1 0 335.408 0.616 20 5 ECBDRO Nc1c(C(=O)N[C@H](CO)C[NH+]2CCCC2)cc(F)cc1[N+](=O)[O-] ZINC000808220611 587150044 /nfs/dbraw/zinc/15/00/44/587150044.db2.gz KNHCMVKAOVSSLI-JTQLQIEISA-N 1 0 326.328 0.503 20 5 ECBDRO CC(C)NS(=O)(=O)CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818985405 587463350 /nfs/dbraw/zinc/46/33/50/587463350.db2.gz SEBJNHYGBQUEPA-ZDUSSCGKSA-N 1 0 331.394 0.546 20 5 ECBDRO CS(=O)(=O)NC1CC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819296243 587475574 /nfs/dbraw/zinc/47/55/74/587475574.db2.gz WIMXBDLTYRWJTQ-GCZXYKMCSA-N 1 0 329.378 0.298 20 5 ECBDRO NC(=O)c1cn(CCCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)nn1 ZINC000819376500 587478016 /nfs/dbraw/zinc/47/80/16/587478016.db2.gz YQKIBEJIMKDBIU-AWEZNQCLSA-N 1 0 348.363 0.389 20 5 ECBDRO O=[N+]([O-])c1cc(-c2nc(N3CC[NH2+]CC3)no2)ccc1-n1cncn1 ZINC000823320725 587715847 /nfs/dbraw/zinc/71/58/47/587715847.db2.gz IDNFWCIDXOJULG-UHFFFAOYSA-N 1 0 342.319 0.635 20 5 ECBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@](C)(O)c1ccccc1 ZINC000823592356 587733097 /nfs/dbraw/zinc/73/30/97/587733097.db2.gz RAMNOSIXAUFQKZ-JKSUJKDBSA-N 1 0 334.376 0.992 20 5 ECBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000826695622 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347.371 0.800 20 5 ECBDRO [NH3+]CCCOCCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000858632453 589762535 /nfs/dbraw/zinc/76/25/35/589762535.db2.gz UFNCEIPUHKFPQU-UHFFFAOYSA-N 1 0 337.785 0.892 20 5 ECBDRO C[NH2+]CCOCCNC(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000861516298 589858500 /nfs/dbraw/zinc/85/85/00/589858500.db2.gz BYKPAIIZBQAPJG-UHFFFAOYSA-N 1 0 342.327 0.333 20 5 ECBDRO C[NH2+]CCOCCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000861517229 589858534 /nfs/dbraw/zinc/85/85/34/589858534.db2.gz HXKJHAMHWDRENU-UHFFFAOYSA-N 1 0 344.755 0.539 20 5 ECBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000868089680 589873738 /nfs/dbraw/zinc/87/37/38/589873738.db2.gz UPLFJGDFOUJZQL-ZDUSSCGKSA-N 1 0 336.367 0.783 20 5 ECBDRO Cc1c(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000863323793 590004037 /nfs/dbraw/zinc/00/40/37/590004037.db2.gz UPGSAJTYVMSCII-LLVKDONJSA-N 1 0 338.320 0.608 20 5 ECBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC000872757664 590146577 /nfs/dbraw/zinc/14/65/77/590146577.db2.gz JBKXDBOFYNAJJD-DTWKUNHWSA-N 1 0 349.313 0.992 20 5 ECBDRO O=C1COC[C@]2(C[NH2+]C/C=C/c3ccccc3[N+](=O)[O-])COCCN12 ZINC000865800615 590158753 /nfs/dbraw/zinc/15/87/53/590158753.db2.gz KZGYCFHSKZDVBS-RCFWFJCLSA-N 1 0 347.371 0.825 20 5 ECBDRO C[C@]1(C(F)(F)F)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000879504597 590315949 /nfs/dbraw/zinc/31/59/49/590315949.db2.gz IWKOSKMRMUYRNA-WDEREUQCSA-N 1 0 338.286 0.805 20 5 ECBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877164931 590442115 /nfs/dbraw/zinc/44/21/15/590442115.db2.gz GXIPMVSUKZEUMI-AAEUAGOBSA-N 1 0 332.360 0.618 20 5 ECBDRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)[C@@H]1C(C)C ZINC000926233377 611526347 /nfs/dbraw/zinc/52/63/47/611526347.db2.gz BAYRGMORTQXRIS-GXVXIZHISA-N 1 0 325.409 0.638 20 5 ECBDRO CC(=O)N1CCN(CCNc2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000052129280 609072587 /nfs/dbraw/zinc/07/25/87/609072587.db2.gz PTYSBNGEWDAMON-UHFFFAOYSA-N 1 0 332.364 0.819 20 5 ECBDRO CN1CC[NH+](CCCn2nnc(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000912459012 609958914 /nfs/dbraw/zinc/95/89/14/609958914.db2.gz ODLGEYVBYGYDJN-UHFFFAOYSA-N 1 0 331.380 0.886 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[NH2+]C[C@@H]2c2cccc(F)c2)c1 ZINC000923350785 611232771 /nfs/dbraw/zinc/23/27/71/611232771.db2.gz OJGRWMXZZBGCGW-JKSUJKDBSA-N 1 0 349.366 0.938 20 5 ECBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923355287 611233687 /nfs/dbraw/zinc/23/36/87/611233687.db2.gz JAZLRVOVKKLTDB-UBHSHLNASA-N 1 0 327.356 0.966 20 5 ECBDRO Cc1cc(S(=O)(=O)N2CCCO[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1F ZINC000842484363 611313613 /nfs/dbraw/zinc/31/36/13/611313613.db2.gz DLSGFVVCPUWQGH-JTQLQIEISA-N 1 0 347.368 0.781 20 5 ECBDRO O=C1NCCN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C12C[NH2+]C2 ZINC001164412811 718878597 /nfs/dbraw/zinc/87/85/97/718878597.db2.gz ZMIAAHZRRQYJPG-UHFFFAOYSA-N 1 0 347.709 0.466 20 5 ECBDRO COc1ncnc(N2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)c1[N+](=O)[O-] ZINC001164922647 721863083 /nfs/dbraw/zinc/86/30/83/721863083.db2.gz HMUONQMNTSDJSH-NEPJUHHUSA-N 1 0 336.396 0.608 20 5 ECBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[C@@H]2[C@H]1CCN2CC[NH+](C)C ZINC001164926976 721870409 /nfs/dbraw/zinc/87/04/09/721870409.db2.gz TZTAXWRSJKDSSB-HUUCEWRRSA-N 1 0 335.408 0.751 20 5 ECBDRO O=C(Cc1nc[nH]n1)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001022953108 736309132 /nfs/dbraw/zinc/30/91/32/736309132.db2.gz HOEOHTRFKPRAHJ-TXEJJXNPSA-N 1 0 330.348 0.692 20 5 ECBDRO Cc1nonc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001023163561 736554409 /nfs/dbraw/zinc/55/44/09/736554409.db2.gz UBZIICZYWMOIIB-DTORHVGOSA-N 1 0 335.324 0.070 20 5 ECBDRO CCc1noc(C)c1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775254 739943687 /nfs/dbraw/zinc/94/36/87/739943687.db2.gz IKTXJEAFNOQBHR-DJOIZQNCSA-N 1 0 334.376 0.757 20 5 ECBDRO CC(C)(C)n1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001025776622 739945522 /nfs/dbraw/zinc/94/55/22/739945522.db2.gz CTBSTKSRNWXGHV-QMIVOQANSA-N 1 0 347.419 0.850 20 5 ECBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1c[nH]c(=O)cn1 ZINC001020521223 751754497 /nfs/dbraw/zinc/75/44/97/751754497.db2.gz IEMXIRKMEMJPNE-HAQNSBGRSA-N 1 0 343.343 0.729 20 5 ECBDRO CCn1ncc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC000997773652 743802890 /nfs/dbraw/zinc/80/28/90/743802890.db2.gz XHSAPCCZLYHKBR-ZIAGYGMSSA-N 1 0 336.396 0.291 20 5 ECBDRO Cn1nccc1C[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001000155503 745296582 /nfs/dbraw/zinc/29/65/82/745296582.db2.gz SCMJGJPQIOZHCG-HUUCEWRRSA-N 1 0 347.419 0.946 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)c2ccncn2)C1 ZINC001020780428 752134480 /nfs/dbraw/zinc/13/44/80/752134480.db2.gz SZUPQNRFZLVVKH-MGCOHNPYSA-N 1 0 331.336 0.169 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C[C@H]1C[C@H](NC(=O)c2cccnn2)C1 ZINC000984949319 747157825 /nfs/dbraw/zinc/15/78/25/747157825.db2.gz CZCIFKRLHGQKIN-XYPYZODXSA-N 1 0 345.363 0.417 20 5 ECBDRO O=C(N[C@H]1C[C@@](C[NH2+]CCCO)(c2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001105423452 749031075 /nfs/dbraw/zinc/03/10/75/749031075.db2.gz VLCRTPIMPUCPKI-KONPQCLYSA-N 1 0 347.415 0.840 20 5 ECBDRO O=C(Cn1cnnn1)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000989917978 754550410 /nfs/dbraw/zinc/55/04/10/754550410.db2.gz VZVDBTHLSAOVHF-UHFFFAOYSA-N 1 0 345.363 0.362 20 5 ECBDRO Cn1cc(C(=O)N2CCC([NH2+]Cc3c([N+](=O)[O-])ncn3C)CC2)cn1 ZINC000989926548 754567597 /nfs/dbraw/zinc/56/75/97/754567597.db2.gz IMUGTTAXQOTZCJ-UHFFFAOYSA-N 1 0 347.379 0.456 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C[C@H]1C[C@H](NC(=O)c2cn[nH]c2)C1 ZINC000983232297 754946638 /nfs/dbraw/zinc/94/66/38/754946638.db2.gz XCQBSHFHDMBXES-HOMQSWHASA-N 1 0 333.352 0.350 20 5 ECBDRO O=C(NCC[NH2+]Cc1cccc(-n2cccn2)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936682 756765314 /nfs/dbraw/zinc/76/53/14/756765314.db2.gz QKJFRECMXZTXOJ-HUUCEWRRSA-N 1 0 329.360 0.743 20 5 ECBDRO COc1cccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC000996429747 757658948 /nfs/dbraw/zinc/65/89/48/757658948.db2.gz VXPZWSWKDWWDOB-ZIAGYGMSSA-N 1 0 334.376 0.836 20 5 ECBDRO Nc1nc(NC/C=C/CNC(=O)C23CC[NH+](CC2)C3)ncc1[N+](=O)[O-] ZINC001107277215 758139243 /nfs/dbraw/zinc/13/92/43/758139243.db2.gz YOSVVPXNLZSWDV-OWOJBTEDSA-N 1 0 347.379 0.147 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)Cc2ccnn2C)C1 ZINC001022022748 758176291 /nfs/dbraw/zinc/17/62/91/758176291.db2.gz XMMWTPBRTLOTCS-PHIMTYICSA-N 1 0 347.379 0.041 20 5 ECBDRO CC[N@H+](C)CCC(=O)NC/C=C\CNc1ncc([N+](=O)[O-])c(N)n1 ZINC001107321644 758265702 /nfs/dbraw/zinc/26/57/02/758265702.db2.gz IIBZAXSYIARJLL-PLNGDYQASA-N 1 0 337.384 0.393 20 5 ECBDRO COc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)o1 ZINC001022882386 759245182 /nfs/dbraw/zinc/24/51/82/759245182.db2.gz LNFZVWKQUOQIKD-AOOOYVTPSA-N 1 0 349.347 0.981 20 5 ECBDRO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2nncs2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050325833 760130856 /nfs/dbraw/zinc/13/08/56/760130856.db2.gz NOCVSVFZUPQKRI-DDHJBXDOSA-N 1 0 339.421 0.968 20 5 ECBDRO Cc1nc(C)n(CCN2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001017544370 768099603 /nfs/dbraw/zinc/09/96/03/768099603.db2.gz PKUJAMJWGSHBEF-LXTVHRRPSA-N 1 0 348.407 0.235 20 5 ECBDRO CNS(=O)(=O)c1ccc(N2CC[N@@H+]3CC[C@H]2C3)c([N+](=O)[O-])c1 ZINC000599082715 764072334 /nfs/dbraw/zinc/07/23/34/764072334.db2.gz FWMYUQRUPXMQEK-JTQLQIEISA-N 1 0 326.378 0.397 20 5 ECBDRO Cc1cnc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001060415728 765046324 /nfs/dbraw/zinc/04/63/24/765046324.db2.gz MKTTWJPPDYZKBJ-VIKVFOODSA-N 1 0 345.403 0.945 20 5 ECBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1[nH]nc2c1C[NH2+]CC2 ZINC000446190513 767138111 /nfs/dbraw/zinc/13/81/11/767138111.db2.gz CZOJLWMFKBIKRX-UHFFFAOYSA-N 1 0 330.348 0.806 20 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ZINC001057335046 772480584 /nfs/dbraw/zinc/48/05/84/772480584.db2.gz QNXIEDJPIWPFSJ-UHFFFAOYSA-N 1 0 349.395 0.466 20 5 ECBDRO Nc1nc(N2CCC(NC(=O)C[NH+]3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC001057874707 773109889 /nfs/dbraw/zinc/10/98/89/773109889.db2.gz YQTSYESKUVNWKX-UHFFFAOYSA-N 1 0 349.395 0.148 20 5 ECBDRO Cc1nc(C)c(C[N@@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)o1 ZINC001072725931 788653339 /nfs/dbraw/zinc/65/33/39/788653339.db2.gz WBBSNWFQWHCWIP-CHWSQXEVSA-N 1 0 334.376 0.991 20 5 ECBDRO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C1CC(=O)NC(=O)C1 ZINC001267440254 837418802 /nfs/dbraw/zinc/41/88/02/837418802.db2.gz MYUSVZARCWFDNE-UHFFFAOYSA-N 1 0 348.359 0.196 20 5 ECBDRO CN(CC[NH2+]CCOc1cccc(F)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267371267 837268797 /nfs/dbraw/zinc/26/87/97/837268797.db2.gz IZTXABMQQXMLMQ-ZIAGYGMSSA-N 1 0 325.340 0.918 20 5 ECBDRO CC(C)NC(=O)C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 ZINC001267838076 838632209 /nfs/dbraw/zinc/63/22/09/838632209.db2.gz SGQZBGFFDCFUOC-VXGBXAGGSA-N 1 0 326.397 0.195 20 5 ECBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354674169 299092993 /nfs/dbraw/zinc/09/29/93/299092993.db2.gz RMXYFDNCULRZEK-ZDUSSCGKSA-N 1 0 334.376 0.812 20 5 ECBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCCCC[NH+]2CCOCC2)n1 ZINC000427510012 210205652 /nfs/dbraw/zinc/20/56/52/210205652.db2.gz TTZXUXUFJDOERD-UHFFFAOYSA-N 1 0 325.369 0.653 20 5 ECBDRO C[NH2+]CCCN(C)C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000424038650 209870370 /nfs/dbraw/zinc/87/03/70/209870370.db2.gz YTLPOZPLGBENGE-UHFFFAOYSA-N 1 0 337.380 0.462 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000355260803 299226777 /nfs/dbraw/zinc/22/67/77/299226777.db2.gz BVGQWGDHZZYTEU-NSHDSACASA-N 1 0 336.392 0.976 20 5 ECBDRO Cc1n[nH]c(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000355309185 299236383 /nfs/dbraw/zinc/23/63/83/299236383.db2.gz CFYVRWQROIJJKI-NSHDSACASA-N 1 0 325.369 0.809 20 5 ECBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1C[NH2+]CCN1C ZINC000420448481 209368884 /nfs/dbraw/zinc/36/88/84/209368884.db2.gz DYLXRNCOVRKDCN-CYBMUJFWSA-N 1 0 342.421 0.339 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CC[C@H](C)C[C@H]2C[NH3+])c([N+](=O)[O-])n1 ZINC000420425981 209364959 /nfs/dbraw/zinc/36/49/59/209364959.db2.gz UCPZOJMXWMKCRK-UWVGGRQHSA-N 1 0 331.398 0.559 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000420422896 209363581 /nfs/dbraw/zinc/36/35/81/209363581.db2.gz QIRVATOCQCPYPH-SECBINFHSA-N 1 0 343.361 0.412 20 5 ECBDRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000420166886 209327555 /nfs/dbraw/zinc/32/75/55/209327555.db2.gz IODAPVUJPMFWRA-LLVKDONJSA-N 1 0 334.376 0.594 20 5 ECBDRO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]1 ZINC000420132335 209316279 /nfs/dbraw/zinc/31/62/79/209316279.db2.gz SNRGYYZXXANUBQ-FZMZJTMJSA-N 1 0 346.387 0.736 20 5 ECBDRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000419919728 209249340 /nfs/dbraw/zinc/24/93/40/209249340.db2.gz VYFJKMATWMYJQC-GFCCVEGCSA-N 1 0 346.387 0.595 20 5 ECBDRO COc1cc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000193409420 240152976 /nfs/dbraw/zinc/15/29/76/240152976.db2.gz AOFXGOZJMJTJCI-MWLCHTKSSA-N 1 0 329.378 0.880 20 5 ECBDRO COCC[NH2+]CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000193363128 240131883 /nfs/dbraw/zinc/13/18/83/240131883.db2.gz FTUIGDPIJQKMDS-UHFFFAOYSA-N 1 0 337.785 0.763 20 5 ECBDRO CS(=O)(=O)c1cc(C(=O)NCC[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000262578403 245044106 /nfs/dbraw/zinc/04/41/06/245044106.db2.gz MLKQVNJQRVAZQB-SNVBAGLBSA-N 1 0 341.389 0.728 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000264245058 246234866 /nfs/dbraw/zinc/23/48/66/246234866.db2.gz GAOMFHJOXBATAH-RYUDHWBXSA-N 1 0 334.376 0.781 20 5 ECBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000264245061 246236308 /nfs/dbraw/zinc/23/63/08/246236308.db2.gz GAOMFHJOXBATAH-VXGBXAGGSA-N 1 0 334.376 0.781 20 5 ECBDRO C[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)C[NH+]1CCN(C)CC1 ZINC000265109698 247212415 /nfs/dbraw/zinc/21/24/15/247212415.db2.gz KBTHFANANCJTFZ-ZDUSSCGKSA-N 1 0 338.412 0.181 20 5 ECBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428614861 296263003 /nfs/dbraw/zinc/26/30/03/296263003.db2.gz CNJACEKZZCPNRZ-CYBMUJFWSA-N 1 0 346.387 0.879 20 5 ECBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000449750186 211297553 /nfs/dbraw/zinc/29/75/53/211297553.db2.gz HTQGVYKJPDFDKA-ZDUSSCGKSA-N 1 0 349.391 0.651 20 5 ECBDRO C[C@H]1C[N@H+](CCO)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000449786581 211297407 /nfs/dbraw/zinc/29/74/07/211297407.db2.gz OUSSRJUNYHWWPR-LBPRGKRZSA-N 1 0 337.376 0.960 20 5 ECBDRO CN1CC[NH2+]C[C@H]1CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449697210 211290973 /nfs/dbraw/zinc/29/09/73/211290973.db2.gz LABURYSSOPOAMH-AWEZNQCLSA-N 1 0 344.375 0.414 20 5 ECBDRO COCCO[C@H]1C[C@H](CO)C[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000447395526 211188078 /nfs/dbraw/zinc/18/80/78/211188078.db2.gz SUKHZWJNTIWCKR-JSGCOSHPSA-N 1 0 328.369 0.137 20 5 ECBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000446407404 211143746 /nfs/dbraw/zinc/14/37/46/211143746.db2.gz ASUWMKWHTGHTPZ-MNOVXSKESA-N 1 0 348.359 0.706 20 5 ECBDRO [NH3+][C@H]1CCC[C@H](NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000446401302 211143927 /nfs/dbraw/zinc/14/39/27/211143927.db2.gz WGELPHTWGZIZQC-STQMWFEESA-N 1 0 349.391 0.780 20 5 ECBDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000153027217 224047756 /nfs/dbraw/zinc/04/77/56/224047756.db2.gz AUUQQUREDNKHOL-OAHLLOKOSA-N 1 0 348.363 0.218 20 5 ECBDRO COC[C@@H]1C[C@H](O)C[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000411917527 208169186 /nfs/dbraw/zinc/16/91/86/208169186.db2.gz CPLUGDNJBSBCOO-IHRRRGAJSA-N 1 0 326.349 0.416 20 5 ECBDRO C[C@H]1C[N@H+](CCO)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411857261 208154751 /nfs/dbraw/zinc/15/47/51/208154751.db2.gz BXAWSHWRNRUJCW-ZDUSSCGKSA-N 1 0 336.392 0.922 20 5 ECBDRO Cc1ccc(NC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000415874804 208593202 /nfs/dbraw/zinc/59/32/02/208593202.db2.gz XOYDCAMODOMAAZ-NEPJUHHUSA-N 1 0 332.360 0.910 20 5 ECBDRO C[C@@H]1CN(C(=O)CN2c3cc([N+](=O)[O-])ccc3OCC2=O)CC[C@@H]1[NH3+] ZINC000429189547 210304296 /nfs/dbraw/zinc/30/42/96/210304296.db2.gz QLELPLWLRZOFAU-PWSUYJOCSA-N 1 0 348.359 0.516 20 5 ECBDRO COc1cc(CCNC(=O)N[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000416922601 208696854 /nfs/dbraw/zinc/69/68/54/208696854.db2.gz PQRCIYXOBFVPTP-LLVKDONJSA-N 1 0 338.364 0.816 20 5 ECBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000417764323 208752355 /nfs/dbraw/zinc/75/23/55/208752355.db2.gz LWFGRYLRVUVRCO-HNNXBMFYSA-N 1 0 347.419 0.826 20 5 ECBDRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1[NH3+] ZINC000419132552 208992156 /nfs/dbraw/zinc/99/21/56/208992156.db2.gz BRUPDAGFTONTJR-PRHODGIISA-N 1 0 340.767 0.670 20 5 ECBDRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cn1 ZINC000357441781 299585033 /nfs/dbraw/zinc/58/50/33/299585033.db2.gz RWGNQPRBQAXWKQ-UHFFFAOYSA-N 1 0 349.351 0.050 20 5 ECBDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000419342917 209064400 /nfs/dbraw/zinc/06/44/00/209064400.db2.gz BSMNZTXKMXOLQV-CQSZACIVSA-N 1 0 348.403 0.854 20 5 ECBDRO O=C(CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCOCC1 ZINC000118866210 221198692 /nfs/dbraw/zinc/19/86/92/221198692.db2.gz DDVUSAOLVFQCHQ-CYBMUJFWSA-N 1 0 349.391 0.725 20 5 ECBDRO C[C@H]1CN(C(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000419342931 209064835 /nfs/dbraw/zinc/06/48/35/209064835.db2.gz BTRKXMYWRBVVGS-ZDUSSCGKSA-N 1 0 348.403 0.854 20 5 ECBDRO [NH3+][C@H]1CCN(C(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000419346193 209066566 /nfs/dbraw/zinc/06/65/66/209066566.db2.gz IFIJPZBYMGTBKG-ZDUSSCGKSA-N 1 0 334.376 0.593 20 5 ECBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000357909907 299651293 /nfs/dbraw/zinc/65/12/93/299651293.db2.gz GWOCRGZFIAMFNM-GFCCVEGCSA-N 1 0 339.396 0.901 20 5 ECBDRO CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000358952848 299777708 /nfs/dbraw/zinc/77/77/08/299777708.db2.gz ZWPWGTMLZFLPES-WDEREUQCSA-N 1 0 338.364 0.907 20 5 ECBDRO NC(=O)C[C@@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000245409413 165105310 /nfs/dbraw/zinc/10/53/10/165105310.db2.gz MCSQZSXVCFMDKG-GXTWGEPZSA-N 1 0 337.376 0.922 20 5 ECBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000261852835 165253369 /nfs/dbraw/zinc/25/33/69/165253369.db2.gz QIXTUKHEDFAAOC-GHMZBOCLSA-N 1 0 330.348 0.985 20 5 ECBDRO CCCN(c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000261961184 165269576 /nfs/dbraw/zinc/26/95/76/165269576.db2.gz ORMNKJYYKFRFEI-JTQLQIEISA-N 1 0 328.394 0.821 20 5 ECBDRO COCC1(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[NH2+]CC1 ZINC000262012334 165276224 /nfs/dbraw/zinc/27/62/24/165276224.db2.gz MJFZPISOGOJBLF-UHFFFAOYSA-N 1 0 349.434 0.951 20 5 ECBDRO Cn1cnnc1Sc1ccc(C(=O)NCC2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000262035264 165280533 /nfs/dbraw/zinc/28/05/33/165280533.db2.gz PVRUBFLNINVHSR-UHFFFAOYSA-N 1 0 348.388 0.824 20 5 ECBDRO C[C@@H]1C[NH2+]CCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000262045063 165280569 /nfs/dbraw/zinc/28/05/69/165280569.db2.gz UCOQONUETHZTGK-LLVKDONJSA-N 1 0 335.364 0.214 20 5 ECBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000262079511 165287482 /nfs/dbraw/zinc/28/74/82/165287482.db2.gz GZZPUYAEYXIKKO-SECBINFHSA-N 1 0 349.796 0.823 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000262737734 165378748 /nfs/dbraw/zinc/37/87/48/165378748.db2.gz AZKJKXAMKQZBCL-KOLCDFICSA-N 1 0 329.378 0.880 20 5 ECBDRO O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000160916174 225504506 /nfs/dbraw/zinc/50/45/06/225504506.db2.gz WOCKJNSIJIOEAM-SWLSCSKDSA-N 1 0 335.360 0.687 20 5 ECBDRO C[C@H](c1ccccc1)[N@@H+](CC(N)=O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000123864847 222344065 /nfs/dbraw/zinc/34/40/65/222344065.db2.gz NUUHCWUSEIBIMY-DOMZBBRYSA-N 1 0 347.375 0.701 20 5 ECBDRO CS[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H]1[NH+](C)C ZINC000270521689 263248167 /nfs/dbraw/zinc/24/81/67/263248167.db2.gz SXVVFFSUXZCFPS-VXGBXAGGSA-N 1 0 327.410 0.685 20 5 ECBDRO CCc1n[nH]c(C(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000271003684 263292463 /nfs/dbraw/zinc/29/24/63/263292463.db2.gz GEOLYEXZOMUXBY-NXEZZACHSA-N 1 0 327.410 0.998 20 5 ECBDRO CS[C@@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000271196074 263305637 /nfs/dbraw/zinc/30/56/37/263305637.db2.gz WOILVTSJTLWJOE-WCQYABFASA-N 1 0 340.405 0.261 20 5 ECBDRO C[NH+](C)C1CCN(CCNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000272664513 263360713 /nfs/dbraw/zinc/36/07/13/263360713.db2.gz PEBPHTGIXCCGRZ-UHFFFAOYSA-N 1 0 335.408 0.933 20 5 ECBDRO COCC[NH+](CCOC)C1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000286356195 264392206 /nfs/dbraw/zinc/39/22/06/264392206.db2.gz LRDDQYBPHHKLGZ-UHFFFAOYSA-N 1 0 339.396 0.948 20 5 ECBDRO CC[C@@H]([NH3+])CNC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O ZINC000295349917 265060961 /nfs/dbraw/zinc/06/09/61/265060961.db2.gz YSWGYEGHGVFSJT-LLVKDONJSA-N 1 0 345.359 0.916 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOC[C@@H](O)C1 ZINC000295449103 265067045 /nfs/dbraw/zinc/06/70/45/265067045.db2.gz DZGSJZPRZDNVAD-LBPRGKRZSA-N 1 0 339.348 0.625 20 5 ECBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NCCCO)c([N+](=O)[O-])c1 ZINC000298212366 265230251 /nfs/dbraw/zinc/23/02/51/265230251.db2.gz WDVJFFGQPWHEAU-UHFFFAOYSA-N 1 0 346.409 0.229 20 5 ECBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000171636901 275040245 /nfs/dbraw/zinc/04/02/45/275040245.db2.gz WHCCMSOIVAPSNK-AWEZNQCLSA-N 1 0 331.376 0.974 20 5 ECBDRO CC(C)(C[NH3+])NC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000418017237 275548035 /nfs/dbraw/zinc/54/80/35/275548035.db2.gz GWKVKLWWBFJWCD-UHFFFAOYSA-N 1 0 344.393 0.405 20 5 ECBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 ZINC000078617595 276832002 /nfs/dbraw/zinc/83/20/02/276832002.db2.gz XQNWBACOSNLXPG-LLVKDONJSA-N 1 0 328.394 0.773 20 5 ECBDRO CO[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000262107469 277657789 /nfs/dbraw/zinc/65/77/89/277657789.db2.gz JNIXNXFLNCOGDR-NWDGAFQWSA-N 1 0 329.378 0.722 20 5 ECBDRO C[C@@H](CC[NH3+])NC(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000418821684 278229439 /nfs/dbraw/zinc/22/94/39/278229439.db2.gz XLMDHXSJQQPBQC-VIFPVBQESA-N 1 0 342.783 0.760 20 5 ECBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000423095739 289764753 /nfs/dbraw/zinc/76/47/53/289764753.db2.gz FVQXRFUTQHVCEM-UBHSHLNASA-N 1 0 346.387 0.749 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000262562367 289923009 /nfs/dbraw/zinc/92/30/09/289923009.db2.gz AAUQUIISGDYXCU-JKOKRWQUSA-N 1 0 334.376 0.957 20 5 ECBDRO CC[NH+]1CCN([C@H]2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000332131140 297006378 /nfs/dbraw/zinc/00/63/78/297006378.db2.gz KSAGKPWUEZNKPA-ZDUSSCGKSA-N 1 0 336.396 0.030 20 5 ECBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000332534792 297050221 /nfs/dbraw/zinc/05/02/21/297050221.db2.gz INKURHNJFJGIJL-QWHCGFSZSA-N 1 0 348.407 0.819 20 5 ECBDRO COc1ccc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000193400459 295200976 /nfs/dbraw/zinc/20/09/76/295200976.db2.gz XYBAWASVFMMZNV-ONGXEEELSA-N 1 0 329.378 0.880 20 5 ECBDRO C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])C(=O)NCC[NH+]1CCCCC1 ZINC000339439039 297348797 /nfs/dbraw/zinc/34/87/97/297348797.db2.gz ZCCCXOZZBAJHPC-SNVBAGLBSA-N 1 0 338.368 0.038 20 5 ECBDRO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000346643481 298310848 /nfs/dbraw/zinc/31/08/48/298310848.db2.gz LRECZWHOHDGXDD-JMGFVUJMSA-N 1 0 349.387 0.920 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CCC([C@H](C)[NH3+])CC2)c([N+](=O)[O-])n1 ZINC000353222619 299025385 /nfs/dbraw/zinc/02/53/85/299025385.db2.gz ZZEOVBOIZNETTG-VIFPVBQESA-N 1 0 331.398 0.559 20 5 ECBDRO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@]2(CCOC2)O1 ZINC000361511564 300103506 /nfs/dbraw/zinc/10/35/06/300103506.db2.gz SXXFVYLRDJTKFN-BNOWGMLFSA-N 1 0 326.353 0.032 20 5 ECBDRO CN(C)S(=O)(=O)NCC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000362314336 300182270 /nfs/dbraw/zinc/18/22/70/300182270.db2.gz YXXZRQXTULHPLY-ALCCZGGFSA-N 1 0 328.394 0.594 20 5 ECBDRO NS(=O)(=O)N1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000362803673 300222434 /nfs/dbraw/zinc/22/24/34/300222434.db2.gz XYFUFQYPDCMZDI-UHFFFAOYSA-N 1 0 344.393 0.185 20 5 ECBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363192843 300253256 /nfs/dbraw/zinc/25/32/56/300253256.db2.gz OVXBYAXEGNWDLK-STQMWFEESA-N 1 0 334.376 0.986 20 5 ECBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000367066189 300589376 /nfs/dbraw/zinc/58/93/76/300589376.db2.gz IJKDOMBFUOQZLP-UWVGGRQHSA-N 1 0 347.368 0.924 20 5 ECBDRO CCS(=O)(=O)NCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369494773 300744854 /nfs/dbraw/zinc/74/48/54/300744854.db2.gz UHRVRGGHRNKOPB-UHFFFAOYSA-N 1 0 331.398 0.368 20 5 ECBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000370772023 300859449 /nfs/dbraw/zinc/85/94/49/300859449.db2.gz JOUXQVYAKORZGE-OLZOCXBDSA-N 1 0 337.380 0.408 20 5 ECBDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cc([N+](=O)[O-])c[nH]3)cn2)CC1 ZINC000073361149 436074290 /nfs/dbraw/zinc/07/42/90/436074290.db2.gz IKLMDNNFSYJNAC-UHFFFAOYSA-N 1 0 344.375 1.000 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000373052266 301043329 /nfs/dbraw/zinc/04/33/29/301043329.db2.gz BRHXYOSPNJOULD-PWSUYJOCSA-N 1 0 341.389 0.976 20 5 ECBDRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000377749367 301372198 /nfs/dbraw/zinc/37/21/98/301372198.db2.gz UBTNDHWFAPPSEX-OAHLLOKOSA-N 1 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C[NH+](C)[C@H](CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)C1CC1 ZINC000091481678 436451157 /nfs/dbraw/zinc/45/11/57/436451157.db2.gz OHELPPNWRHKMMQ-CYBMUJFWSA-N 1 0 328.394 0.994 20 5 ECBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000053991406 436542647 /nfs/dbraw/zinc/54/26/47/436542647.db2.gz UVBVLEBWJWHXKT-UHFFFAOYSA-N 1 0 344.375 0.967 20 5 ECBDRO C[N@H+]1CC=C(CNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000544846126 302229027 /nfs/dbraw/zinc/22/90/27/302229027.db2.gz RGAXRSDNJILQGA-UHFFFAOYSA-N 1 0 326.378 0.916 20 5 ECBDRO Cc1c(C(=O)NC[C@H]([NH3+])C(C)C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000269286044 436653413 /nfs/dbraw/zinc/65/34/13/436653413.db2.gz SDTMDHLANQXICP-NSHDSACASA-N 1 0 344.393 0.264 20 5 ECBDRO Cc1c(C(=O)NC[C@@H]([NH3+])C2CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000137453437 436656863 /nfs/dbraw/zinc/65/68/63/436656863.db2.gz NGHKVCKWYQEISP-CYBMUJFWSA-N 1 0 330.348 0.951 20 5 ECBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)NCC[NH+](C)C ZINC000552082336 302383642 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334.376 0.910 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000237566181 436738104 /nfs/dbraw/zinc/73/81/04/436738104.db2.gz XIJKXRVEQVYSRK-GFCCVEGCSA-N 1 0 334.376 0.830 20 5 ECBDRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000237935086 436749269 /nfs/dbraw/zinc/74/92/69/436749269.db2.gz UEHMTQOEHDKECP-AWEZNQCLSA-N 1 0 348.403 0.841 20 5 ECBDRO CNS(=O)(=O)[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000155952128 436807477 /nfs/dbraw/zinc/80/74/77/436807477.db2.gz HSDSJKQHEZXDMK-LBPRGKRZSA-N 1 0 329.378 0.727 20 5 ECBDRO CC[N@@H+]1CCCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC000127949446 436810347 /nfs/dbraw/zinc/81/03/47/436810347.db2.gz SXPLWEZYWSSXCY-UHFFFAOYSA-N 1 0 328.394 0.774 20 5 ECBDRO Cc1cc(=O)n(CC(=O)NC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000128430616 436815336 /nfs/dbraw/zinc/81/53/36/436815336.db2.gz RCOHEPKGRBMUTH-UHFFFAOYSA-N 1 0 334.376 0.808 20 5 ECBDRO COc1ccc(S(=O)(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000248624150 436805654 /nfs/dbraw/zinc/80/56/54/436805654.db2.gz NRWALPIUJINBEC-MVWJERBFSA-N 1 0 341.389 0.961 20 5 ECBDRO COc1cc(S(=O)(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000248588239 436805679 /nfs/dbraw/zinc/80/56/79/436805679.db2.gz GQIIGXFFUZAFRK-MVWJERBFSA-N 1 0 341.389 0.961 20 5 ECBDRO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC[NH+](C)C ZINC000292958807 436839071 /nfs/dbraw/zinc/83/90/71/436839071.db2.gz KFLVJMUYTOWJCH-UHFFFAOYSA-N 1 0 345.377 0.611 20 5 ECBDRO CC[N@H+](CCO)CCNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000274554692 436842897 /nfs/dbraw/zinc/84/28/97/436842897.db2.gz NQFMMIKLTVSZRS-UHFFFAOYSA-N 1 0 341.364 0.413 20 5 ECBDRO C[NH+](C)CCn1nnnc1SCCn1cc([N+](=O)[O-])ccc1=O ZINC000160090560 436868257 /nfs/dbraw/zinc/86/82/57/436868257.db2.gz OVAKPZSAOQLAQZ-UHFFFAOYSA-N 1 0 339.381 0.097 20 5 ECBDRO Cc1cc(OCC(=O)NC[C@](C)(O)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000280836928 436925309 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COC[C@]1(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC[NH2+]C1 ZINC000423414709 438674134 /nfs/dbraw/zinc/67/41/34/438674134.db2.gz NRMJJBDEKOKERK-LRDDRELGSA-N 1 0 349.391 0.629 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000423452666 438677710 /nfs/dbraw/zinc/67/77/10/438677710.db2.gz INEAWALMXZPCCX-AWEZNQCLSA-N 1 0 346.387 0.986 20 5 ECBDRO C[C@@H]1C[NH2+]C[C@H](C)N1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000493895639 438657539 /nfs/dbraw/zinc/65/75/39/438657539.db2.gz YYRJTAVTFJIORO-AOOOYVTPSA-N 1 0 336.348 0.944 20 5 ECBDRO C[C@@H]1CN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1[NH3+] ZINC000423305663 438659153 /nfs/dbraw/zinc/65/91/53/438659153.db2.gz KXQZMVHZHQBMGP-YGRLFVJLSA-N 1 0 332.360 0.285 20 5 ECBDRO CNc1nccc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000553498752 438752823 /nfs/dbraw/zinc/75/28/23/438752823.db2.gz SHYCXASPWQXBOH-GFCCVEGCSA-N 1 0 349.391 0.826 20 5 ECBDRO O=C(NCC1CC[NH2+]CC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000557212081 438795513 /nfs/dbraw/zinc/79/55/13/438795513.db2.gz ZPRRHUJLHBBFDL-UHFFFAOYSA-N 1 0 348.407 0.821 20 5 ECBDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000497304513 438791738 /nfs/dbraw/zinc/79/17/38/438791738.db2.gz HBZFIIYCLPHINB-ZYHUDNBSSA-N 1 0 343.384 0.655 20 5 ECBDRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000595631892 438837128 /nfs/dbraw/zinc/83/71/28/438837128.db2.gz LHRNGXMYWWBSCB-CFVMTHIKSA-N 1 0 339.392 0.912 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000588777710 438839301 /nfs/dbraw/zinc/83/93/01/438839301.db2.gz XQRIVRKWKVZWBH-CYBMUJFWSA-N 1 0 334.376 0.730 20 5 ECBDRO CO[C@]1(CO)CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000595661089 438841536 /nfs/dbraw/zinc/84/15/36/438841536.db2.gz IAZZIFWLFZUTTA-GDBMZVCRSA-N 1 0 340.376 0.808 20 5 ECBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1COCCO1 ZINC000595735171 438850631 /nfs/dbraw/zinc/85/06/31/438850631.db2.gz DDQCUHJUXOPDLI-CHWSQXEVSA-N 1 0 326.349 0.682 20 5 ECBDRO O=C1CC[C@@H]2C[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000595728767 438851780 /nfs/dbraw/zinc/85/17/80/438851780.db2.gz OQKLYAAOEDLVAY-MCIONIFRSA-N 1 0 349.387 0.935 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(O)(CO)CC2)c1 ZINC000595737556 438853618 /nfs/dbraw/zinc/85/36/18/438853618.db2.gz SONJEDLMVDHUCQ-ZDUSSCGKSA-N 1 0 326.349 0.154 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000590281504 438906991 /nfs/dbraw/zinc/90/69/91/438906991.db2.gz OBLOSYUXCYARMA-GXFFZTMASA-N 1 0 348.359 0.704 20 5 ECBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595865138 438873321 /nfs/dbraw/zinc/87/33/21/438873321.db2.gz ZQWBMDCPDHKXND-OAHLLOKOSA-N 1 0 336.392 0.288 20 5 ECBDRO Cc1cc(S(=O)(=O)NC[C@H]2C[NH2+]CCN2C)c(C)cc1[N+](=O)[O-] ZINC000577964420 438885943 /nfs/dbraw/zinc/88/59/43/438885943.db2.gz LHHQKGVWNHXWTG-GFCCVEGCSA-N 1 0 342.421 0.394 20 5 ECBDRO C[NH+](C)CC1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000601423522 438888289 /nfs/dbraw/zinc/88/82/89/438888289.db2.gz ANWGKIPGWJPHTB-UHFFFAOYSA-N 1 0 327.406 0.961 20 5 ECBDRO C[NH2+]C[C@H](C)NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O ZINC000595982673 438909034 /nfs/dbraw/zinc/90/90/34/438909034.db2.gz LNBNNLZILZYWOG-JTQLQIEISA-N 1 0 345.359 0.787 20 5 ECBDRO C[NH2+]C[C@H](C)NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000595981925 438909147 /nfs/dbraw/zinc/90/91/47/438909147.db2.gz HFEXFVDWNJZBPG-QMMMGPOBSA-N 1 0 326.378 0.510 20 5 ECBDRO NS(=O)(=O)c1ccc(N2CC[C@@H]([NH+]3CC=CC3)C2)cc1[N+](=O)[O-] ZINC000596139123 438931302 /nfs/dbraw/zinc/93/13/02/438931302.db2.gz BPGCXLFDBNOZNB-GFCCVEGCSA-N 1 0 338.389 0.693 20 5 ECBDRO C[NH+](C)[C@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1O ZINC000590554651 438932387 /nfs/dbraw/zinc/93/23/87/438932387.db2.gz XXQCKJCOYCCLAG-GJZGRUSLSA-N 1 0 332.360 0.752 20 5 ECBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000590582784 438934800 /nfs/dbraw/zinc/93/48/00/438934800.db2.gz UQYKOEONBZNNIH-GWCFXTLKSA-N 1 0 340.405 0.773 20 5 ECBDRO C[C@@H]1CN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C[C@H](C)[N@H+]1C ZINC000596248220 438946161 /nfs/dbraw/zinc/94/61/61/438946161.db2.gz UHHUNSFKFOSAEQ-AOOOYVTPSA-N 1 0 328.394 0.771 20 5 ECBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000565374140 438946560 /nfs/dbraw/zinc/94/65/60/438946560.db2.gz SOMGFJLSLSTSJG-SNVBAGLBSA-N 1 0 325.369 0.395 20 5 ECBDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000517234017 438956307 /nfs/dbraw/zinc/95/63/07/438956307.db2.gz NQSCTAHCQYPNKK-DOMZBBRYSA-N 1 0 346.387 0.877 20 5 ECBDRO Cn1nccc1[C@H](CO)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000517372035 438962557 /nfs/dbraw/zinc/96/25/57/438962557.db2.gz QMBAXWFSBTVCQK-LBPRGKRZSA-N 1 0 333.348 0.980 20 5 ECBDRO [NH3+][C@H]1C[C@@H]2CN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000579129089 438983112 /nfs/dbraw/zinc/98/31/12/438983112.db2.gz DWAXKODINJHQJZ-KGLIPLIRSA-N 1 0 347.375 0.091 20 5 ECBDRO O=C1C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000565887409 438987390 /nfs/dbraw/zinc/98/73/90/438987390.db2.gz OMFXJQHBHAVHRE-DGCLKSJQSA-N 1 0 335.360 0.687 20 5 ECBDRO CC(C)c1noc(CCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000518757675 439008187 /nfs/dbraw/zinc/00/81/87/439008187.db2.gz GNNWKXPMCPAQOB-LBPRGKRZSA-N 1 0 338.368 0.881 20 5 ECBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC[C@H]1CCCC[NH2+]1 ZINC000591677885 439060840 /nfs/dbraw/zinc/06/08/40/439060840.db2.gz WSCXXEBDPBYRLI-LLVKDONJSA-N 1 0 348.359 0.579 20 5 ECBDRO O=C(NCC[NH2+]C1CC1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000591421050 439012777 /nfs/dbraw/zinc/01/27/77/439012777.db2.gz NPFHLDRXDHLKGF-UHFFFAOYSA-N 1 0 346.387 0.954 20 5 ECBDRO [NH3+]C[C@H](NC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000591422731 439012996 /nfs/dbraw/zinc/01/29/96/439012996.db2.gz XMCVZIOZWIADAM-ZDUSSCGKSA-N 1 0 332.360 0.333 20 5 ECBDRO O=C(CN1CC[C@@H]2CC[NH2+][C@H]2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000591449326 439015340 /nfs/dbraw/zinc/01/53/40/439015340.db2.gz VIZNBMKCMXDCLI-JQWIXIFHSA-N 1 0 348.359 0.946 20 5 ECBDRO O=C(CCOC1C[NH2+]C1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000566169718 439017168 /nfs/dbraw/zinc/01/71/68/439017168.db2.gz RWYPLTSGWAPXCC-UHFFFAOYSA-N 1 0 331.332 1.302 20 5 ECBDRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000520569011 439089990 /nfs/dbraw/zinc/08/99/90/439089990.db2.gz PANQKWBAQIFIKW-AAEUAGOBSA-N 1 0 346.405 0.747 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H](O)[C@H]1CCOC1 ZINC000580551439 439104413 /nfs/dbraw/zinc/10/44/13/439104413.db2.gz NXMUXBQQWKQTNV-OUCADQQQSA-N 1 0 326.349 0.322 20 5 ECBDRO CN1CCOC[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602727483 439126113 /nfs/dbraw/zinc/12/61/13/439126113.db2.gz VEEJUBOSXYKCHN-HNNXBMFYSA-N 1 0 335.408 0.879 20 5 ECBDRO CNC(=O)c1ccc(N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c([N+](=O)[O-])c1 ZINC000591983995 439126567 /nfs/dbraw/zinc/12/65/67/439126567.db2.gz CSPGKZYVACEUHP-LLVKDONJSA-N 1 0 349.391 0.511 20 5 ECBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000602797785 439137338 /nfs/dbraw/zinc/13/73/38/439137338.db2.gz OPCSCXSHZYNZGD-UHFFFAOYSA-N 1 0 336.396 0.979 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)n1 ZINC000597619985 439140838 /nfs/dbraw/zinc/14/08/38/439140838.db2.gz LYYMHJZFWFKJLV-LBPRGKRZSA-N 1 0 337.380 0.655 20 5 ECBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000597627726 439142864 /nfs/dbraw/zinc/14/28/64/439142864.db2.gz WMBUZHSIPQVRHB-CQSZACIVSA-N 1 0 336.367 0.783 20 5 ECBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000602924244 439161681 /nfs/dbraw/zinc/16/16/81/439161681.db2.gz MQKRCKAEWZNLDP-HZPDHXFCSA-N 1 0 345.355 0.881 20 5 ECBDRO C[C@@H]1CN(CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCO1 ZINC000523244646 439164251 /nfs/dbraw/zinc/16/42/51/439164251.db2.gz ZZQCOHXIIBIMJD-LLVKDONJSA-N 1 0 336.348 0.370 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H](CO)[C@H]1CCOC1 ZINC000592432151 439226595 /nfs/dbraw/zinc/22/65/95/439226595.db2.gz GEMNKUNSNLSXDQ-MELADBBJSA-N 1 0 340.376 0.569 20 5 ECBDRO O=[N+]([O-])c1cc2c(cc1CN1CCN([C@@H]3CC[NH2+]C3)CC1)OCCO2 ZINC000592434885 439226952 /nfs/dbraw/zinc/22/69/52/439226952.db2.gz PYRZZEUNKOXUEC-CQSZACIVSA-N 1 0 348.403 0.846 20 5 ECBDRO Cc1ccc(C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)cc1[N+](=O)[O-] ZINC000592303205 439196107 /nfs/dbraw/zinc/19/61/07/439196107.db2.gz NYVYACLNLVABGD-UHFFFAOYSA-N 1 0 331.336 0.683 20 5 ECBDRO O=C(Cc1ccccc1[N+](=O)[O-])Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000592303047 439196639 /nfs/dbraw/zinc/19/66/39/439196639.db2.gz CXQCBQUHZGEGSG-UHFFFAOYSA-N 1 0 331.336 0.304 20 5 ECBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCO1 ZINC000592307367 439198501 /nfs/dbraw/zinc/19/85/01/439198501.db2.gz GNPJKBNUTAGXNG-YGRLFVJLSA-N 1 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O=[N+]([O-])c1c(NCC2(N3CCCC3)COC2)ncnc1C1C[NH2+]C1 ZINC001168443892 766743694 /nfs/dbraw/zinc/74/36/94/766743694.db2.gz BAVBUISHCPYPHI-UHFFFAOYSA-N 1 0 334.380 0.348 20 5 ECBDRO Cc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)on1 ZINC001019982358 772052805 /nfs/dbraw/zinc/05/28/05/772052805.db2.gz JNBITXUGIHBEFV-MGCOHNPYSA-N 1 0 334.336 0.675 20 5 ECBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cc(CO)ccc2F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020140041 772208275 /nfs/dbraw/zinc/20/82/75/772208275.db2.gz VSXFPMBWFNLSPU-RGCMKSIDSA-N 1 0 337.351 0.720 20 5 ECBDRO O=C(Cn1ncnn1)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001020156699 772227164 /nfs/dbraw/zinc/22/71/64/772227164.db2.gz WWLKCVXBMLPGNL-HAQNSBGRSA-N 1 0 331.336 0.018 20 5 ECBDRO CCN(C(=O)CCC[NH+](C)C)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001080382805 777774505 /nfs/dbraw/zinc/77/45/05/777774505.db2.gz FBTSQFYURQCIHG-CHWSQXEVSA-N 1 0 326.397 0.053 20 5 ECBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C1)CC[NH+](CCn1cccn1)CC2 ZINC001040699196 783295005 /nfs/dbraw/zinc/29/50/05/783295005.db2.gz AEKLARUJACHSNB-HUUCEWRRSA-N 1 0 347.419 0.863 20 5 ECBDRO Cc1noc(C)c1C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001072725438 788651778 /nfs/dbraw/zinc/65/17/78/788651778.db2.gz MPGGTAUTWGTLIF-TZMCWYRMSA-N 1 0 334.376 0.991 20 5 ECBDRO CN(CCCN(C)C(=O)C1([NH+](C)C)CCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001067389676 793076782 /nfs/dbraw/zinc/07/67/82/793076782.db2.gz JXJDTMACKGCCNX-CHWSQXEVSA-N 1 0 340.424 0.443 20 5 ECBDRO CN(CC[NH2+]Cc1cc(CO)ccc1F)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266696785 836159979 /nfs/dbraw/zinc/15/99/79/836159979.db2.gz RMTMEIXKCFIJDS-TZMCWYRMSA-N 1 0 325.340 0.531 20 5 ECBDRO Nc1ccc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000178120344 232088962 /nfs/dbraw/zinc/08/89/62/232088962.db2.gz OPHXAIBCLUJYII-GFCCVEGCSA-N 1 0 334.376 0.971 20 5 ECBDRO COCC(C)(C)[NH+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000425504445 210064761 /nfs/dbraw/zinc/06/47/61/210064761.db2.gz LSKXGTWFZLTYRH-CQSZACIVSA-N 1 0 341.412 0.195 20 5 ECBDRO COCC(C)(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000425326817 210043841 /nfs/dbraw/zinc/04/38/41/210043841.db2.gz QIYUOHSNROOAOS-UHFFFAOYSA-N 1 0 338.364 0.878 20 5 ECBDRO CCOC(=O)[C@@](C)(O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000355051318 299190154 /nfs/dbraw/zinc/19/01/54/299190154.db2.gz NCMOSGCZAOUWKP-ABAIWWIYSA-N 1 0 338.364 0.790 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2CC[NH2+][C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000423606335 209777555 /nfs/dbraw/zinc/77/75/55/209777555.db2.gz KCOFPSOUTDTOFL-NEPJUHHUSA-N 1 0 334.376 0.842 20 5 ECBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000186787626 236020838 /nfs/dbraw/zinc/02/08/38/236020838.db2.gz CHMPAZLYRJZCQP-ZWNOBZJWSA-N 1 0 330.348 0.903 20 5 ECBDRO C[NH2+]C[C@H](C)CNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000429405104 283580502 /nfs/dbraw/zinc/58/05/02/283580502.db2.gz RHGBKTPVMAXERZ-VIFPVBQESA-N 1 0 340.405 0.758 20 5 ECBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420447976 209368974 /nfs/dbraw/zinc/36/89/74/209368974.db2.gz DHRUPXDVHQYDFG-ZDUSSCGKSA-N 1 0 343.405 0.435 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)N(C)[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000420446502 209368276 /nfs/dbraw/zinc/36/82/76/209368276.db2.gz IDKKNQCNOMLECB-QMMMGPOBSA-N 1 0 331.350 0.349 20 5 ECBDRO CC[NH2+][C@H](C)CNS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000420438959 209366072 /nfs/dbraw/zinc/36/60/72/209366072.db2.gz RZHMYDPZPQYBRT-SECBINFHSA-N 1 0 345.377 0.658 20 5 ECBDRO [NH3+]C[C@H](NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000420055418 209292374 /nfs/dbraw/zinc/29/23/74/209292374.db2.gz GQWLPJVYCJIPCL-AWEZNQCLSA-N 1 0 346.387 0.939 20 5 ECBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000356346657 299380299 /nfs/dbraw/zinc/38/02/99/299380299.db2.gz NFGSWCSLVLUMOO-WDEREUQCSA-N 1 0 330.348 0.998 20 5 ECBDRO COCCN(CC[NH+](C)C)C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000264155131 246118882 /nfs/dbraw/zinc/11/88/82/246118882.db2.gz HUTGYFWZZGUHIV-UHFFFAOYSA-N 1 0 341.412 0.835 20 5 ECBDRO NS(=O)(=O)c1ccc(N2CC[C@@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000266237845 248194340 /nfs/dbraw/zinc/19/43/40/248194340.db2.gz KUOAPJDBWYJEGF-LLVKDONJSA-N 1 0 338.389 0.693 20 5 ECBDRO CCOC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266491494 248329352 /nfs/dbraw/zinc/32/93/52/248329352.db2.gz VMTZWSQCZKUXIO-YPMHNXCESA-N 1 0 341.368 0.363 20 5 ECBDRO CCOC(=O)N1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000266517605 248341494 /nfs/dbraw/zinc/34/14/94/248341494.db2.gz HHJXQKWZZXRYKK-CYBMUJFWSA-N 1 0 341.368 0.316 20 5 ECBDRO NS(=O)(=O)CC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000089993220 217905199 /nfs/dbraw/zinc/90/51/99/217905199.db2.gz BQBCKBFGVJBWLC-UHFFFAOYSA-N 1 0 343.405 0.974 20 5 ECBDRO NS(=O)(=O)CC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000089992899 217905395 /nfs/dbraw/zinc/90/53/95/217905395.db2.gz WWOSSRHSUFXSOF-UHFFFAOYSA-N 1 0 343.405 0.974 20 5 ECBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(Cn2ccnn2)CC1 ZINC000090589305 217942046 /nfs/dbraw/zinc/94/20/46/217942046.db2.gz BMBRLZGDAHZZCD-UHFFFAOYSA-N 1 0 332.364 0.760 20 5 ECBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000449590846 211286043 /nfs/dbraw/zinc/28/60/43/211286043.db2.gz PNIXXNVWJWMVSN-NXEZZACHSA-N 1 0 344.393 0.115 20 5 ECBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000357050408 299506128 /nfs/dbraw/zinc/50/61/28/299506128.db2.gz OPPFYZZYKIREFT-GFCCVEGCSA-N 1 0 339.396 0.901 20 5 ECBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000445900145 211124476 /nfs/dbraw/zinc/12/44/76/211124476.db2.gz YMSFOCSDJJACOV-INIZCTEOSA-N 1 0 347.419 0.908 20 5 ECBDRO CO[C@@H]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000440857018 210863217 /nfs/dbraw/zinc/86/32/17/210863217.db2.gz RXBRANPDDYDTCD-UONOGXRCSA-N 1 0 343.405 0.863 20 5 ECBDRO Cc1nn(C)c(C(=O)NC[C@]2([NH+](C)C)CCSC2)c1[N+](=O)[O-] ZINC000267382951 251004931 /nfs/dbraw/zinc/00/49/31/251004931.db2.gz ZPTWNOLUWCXCKW-CYBMUJFWSA-N 1 0 327.410 0.804 20 5 ECBDRO CN(C)C(=O)[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000411956205 208180125 /nfs/dbraw/zinc/18/01/25/208180125.db2.gz RCKLCJPIZQFQLG-OLZOCXBDSA-N 1 0 337.376 0.745 20 5 ECBDRO [NH3+]C[C@H]1CCCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000430606993 210387770 /nfs/dbraw/zinc/38/77/70/210387770.db2.gz AYKVULOSKQBRDU-SNVBAGLBSA-N 1 0 336.348 0.933 20 5 ECBDRO CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000429181321 210302971 /nfs/dbraw/zinc/30/29/71/210302971.db2.gz ABYAWTIERQPTGB-WDEREUQCSA-N 1 0 338.364 0.892 20 5 ECBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H](C)C[NH2+]C ZINC000429234311 210305628 /nfs/dbraw/zinc/30/56/28/210305628.db2.gz GQWBCYPZXJPODK-ONGXEEELSA-N 1 0 326.401 0.799 20 5 ECBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000418862384 208883507 /nfs/dbraw/zinc/88/35/07/208883507.db2.gz FYGJHOIMUSJZBY-FZMZJTMJSA-N 1 0 334.376 0.368 20 5 ECBDRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000418920521 208909201 /nfs/dbraw/zinc/90/92/01/208909201.db2.gz HQMUVNORKROMRP-CQSZACIVSA-N 1 0 334.376 0.464 20 5 ECBDRO C[C@H](NC(=O)C(=O)N1CCC(C[NH3+])CC1)c1ccccc1[N+](=O)[O-] ZINC000419154547 209003864 /nfs/dbraw/zinc/00/38/64/209003864.db2.gz RRQILLUQUSPJLH-NSHDSACASA-N 1 0 334.376 0.969 20 5 ECBDRO COC(=O)Nc1ccc(S(=O)(=O)N(C)CC[NH3+])cc1[N+](=O)[O-] ZINC000496324024 255091037 /nfs/dbraw/zinc/09/10/37/255091037.db2.gz KNPAAOCNNGKEJD-UHFFFAOYSA-N 1 0 332.338 0.352 20 5 ECBDRO CN1CC[NH2+]C[C@H]1CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000496744937 255126066 /nfs/dbraw/zinc/12/60/66/255126066.db2.gz ZHRRZIISGYHBGG-LBPRGKRZSA-N 1 0 335.364 0.867 20 5 ECBDRO CC(C)[C@@H]([NH3+])CNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000269287151 255559226 /nfs/dbraw/zinc/55/92/26/255559226.db2.gz SNDMOBQQGQVMDM-JTQLQIEISA-N 1 0 340.405 0.885 20 5 ECBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000419271391 209047431 /nfs/dbraw/zinc/04/74/31/209047431.db2.gz ONYLDJNMEFESFG-MFKMUULPSA-N 1 0 334.376 0.934 20 5 ECBDRO O=C(COc1cccc([N+](=O)[O-])c1)NCCC[NH+]1CCC(O)CC1 ZINC000118723229 221174763 /nfs/dbraw/zinc/17/47/63/221174763.db2.gz VSRKHHPNAVIKLO-UHFFFAOYSA-N 1 0 337.376 0.937 20 5 ECBDRO C[C@H](C[NH3+])CNC(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000419349144 209065783 /nfs/dbraw/zinc/06/57/83/209065783.db2.gz LXADAWOINHMTNH-GFCCVEGCSA-N 1 0 336.392 0.745 20 5 ECBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000186714683 533299122 /nfs/dbraw/zinc/29/91/22/533299122.db2.gz SRFMMHIQFAVZGR-WDMOLILDSA-N 1 0 334.376 0.827 20 5 ECBDRO CC[NH2+][C@@H](C)CNC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C ZINC000358919401 299773775 /nfs/dbraw/zinc/77/37/75/299773775.db2.gz XXYKCWAIIVECEW-QMMMGPOBSA-N 1 0 344.393 0.278 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000246677745 296734463 /nfs/dbraw/zinc/73/44/63/296734463.db2.gz FZTDLJHXTAIXHF-UTUOFQBUSA-N 1 0 334.376 0.922 20 5 ECBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000246677731 296734524 /nfs/dbraw/zinc/73/45/24/296734524.db2.gz FZTDLJHXTAIXHF-TUAOUCFPSA-N 1 0 334.376 0.922 20 5 ECBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000247127362 165153443 /nfs/dbraw/zinc/15/34/43/165153443.db2.gz NHYIYPOUDXUZQO-JSGCOSHPSA-N 1 0 334.376 0.699 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCN(c3ccccn3)CC2)c1 ZINC000248888043 165189208 /nfs/dbraw/zinc/18/92/08/165189208.db2.gz RIALZZBCICBCKI-OAHLLOKOSA-N 1 0 346.391 0.760 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[NH+](C2CCCC2)CC1 ZINC000299535246 296869119 /nfs/dbraw/zinc/86/91/19/296869119.db2.gz SKZYUTLVWOYFOE-UHFFFAOYSA-N 1 0 334.376 0.843 20 5 ECBDRO 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O=C1C[C@H]([C@@H]2CCCC[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CN1 ZINC000331475065 437102290 /nfs/dbraw/zinc/10/22/90/437102290.db2.gz PINSKVZNIDQHSY-YUTCNCBUSA-N 1 0 337.380 0.143 20 5 ECBDRO CC[NH+]1CCN([C@H](C)CNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000301083354 437112775 /nfs/dbraw/zinc/11/27/75/437112775.db2.gz HFYFUOLZZKJILD-LLVKDONJSA-N 1 0 336.396 0.527 20 5 ECBDRO CNC(=O)c1ccc(N2CC[NH+](CC(C)(C)O)CC2)c([N+](=O)[O-])c1 ZINC000301162908 437115874 /nfs/dbraw/zinc/11/58/74/437115874.db2.gz STQHAJPTSPIZGS-UHFFFAOYSA-N 1 0 336.392 0.847 20 5 ECBDRO Cc1nc(CN2CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)CC2)no1 ZINC000176233150 437135165 /nfs/dbraw/zinc/13/51/65/437135165.db2.gz CFTHFWCXDFHZTO-UHFFFAOYSA-N 1 0 335.368 0.691 20 5 ECBDRO C[N@@H+]1CCC[C@H](CNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC000302086491 437139796 /nfs/dbraw/zinc/13/97/96/437139796.db2.gz KTSQSASEAKAQIH-SNVBAGLBSA-N 1 0 328.394 0.996 20 5 ECBDRO C[NH+](C)CCOCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000318564778 437198615 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ZINC000185823839 437453679 /nfs/dbraw/zinc/45/36/79/437453679.db2.gz JSTJMWCYBSNFCS-UHFFFAOYSA-N 1 0 343.405 0.720 20 5 ECBDRO CCn1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])n1 ZINC000330460437 437516937 /nfs/dbraw/zinc/51/69/37/437516937.db2.gz VOQQQYZQWLBKNR-MNOVXSKESA-N 1 0 345.425 0.914 20 5 ECBDRO CC1(C)OCC(CO)([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CO1 ZINC000291078760 437556661 /nfs/dbraw/zinc/55/66/61/437556661.db2.gz GHTAWJBKGLGBOQ-CYBMUJFWSA-N 1 0 326.349 0.732 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000355128971 437673185 /nfs/dbraw/zinc/67/31/85/437673185.db2.gz IFJSZZOBAIYFMF-CYBMUJFWSA-N 1 0 346.387 0.872 20 5 ECBDRO COc1cccc(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000192535875 437679164 /nfs/dbraw/zinc/67/91/64/437679164.db2.gz DQRFUUMCJOYQBW-GFCCVEGCSA-N 1 0 336.392 0.969 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000192916735 437697065 /nfs/dbraw/zinc/69/70/65/437697065.db2.gz UOPRONIKELWZFL-PHIMTYICSA-N 1 0 341.389 0.786 20 5 ECBDRO CC(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)N1CC[NH+](C)CC1 ZINC000356140218 437751074 /nfs/dbraw/zinc/75/10/74/437751074.db2.gz GVSJZOWPODKMJC-ZDUSSCGKSA-N 1 0 338.412 0.330 20 5 ECBDRO COCC[C@@]1(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CC[NH2+]C1 ZINC000423720867 437811757 /nfs/dbraw/zinc/81/17/57/437811757.db2.gz HRSQTBVKBHBGOI-HNNXBMFYSA-N 1 0 333.348 1.426 20 5 ECBDRO Cn1cc(C(=O)NC[C@H]2C[NH2+]CCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000423990488 437871170 /nfs/dbraw/zinc/87/11/70/437871170.db2.gz KHBUJTKFWNLZRU-CYBMUJFWSA-N 1 0 345.359 0.714 20 5 ECBDRO Cc1c(NC(=O)C(=O)N2CCOC3(C[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000415895929 437878082 /nfs/dbraw/zinc/87/80/82/437878082.db2.gz QHOODOCDGSQGDN-UHFFFAOYSA-N 1 0 334.332 0.043 20 5 ECBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000415780599 437858523 /nfs/dbraw/zinc/85/85/23/437858523.db2.gz IYJYHWPTNJOZGV-RNFRBKRXSA-N 1 0 346.290 0.987 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415818541 437862307 /nfs/dbraw/zinc/86/23/07/437862307.db2.gz UVMJZGXSAVBCIR-SKDRFNHKSA-N 1 0 334.332 0.362 20 5 ECBDRO C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371341311 437921929 /nfs/dbraw/zinc/92/19/29/437921929.db2.gz NCORBFBJNXMXCC-ZBFHGGJFSA-N 1 0 336.440 0.749 20 5 ECBDRO CC(C)[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000347677105 437930036 /nfs/dbraw/zinc/93/00/36/437930036.db2.gz YFIWXQMMKGYAJT-GFCCVEGCSA-N 1 0 338.412 0.330 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416296613 437909906 /nfs/dbraw/zinc/90/99/06/437909906.db2.gz OHEDDPLOWMPDDL-RYUDHWBXSA-N 1 0 339.396 0.403 20 5 ECBDRO COC[C@@]1(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCC[NH2+]1 ZINC000357268136 437951211 /nfs/dbraw/zinc/95/12/11/437951211.db2.gz KGWYBPHXHKZXDR-HNNXBMFYSA-N 1 0 333.348 0.970 20 5 ECBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000418028639 438100807 /nfs/dbraw/zinc/10/08/07/438100807.db2.gz YGUNDBIABDXWGQ-ZJUUUORDSA-N 1 0 344.393 0.403 20 5 ECBDRO O=C(NC[C@H]1CC[NH2+]C1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000342746082 438056870 /nfs/dbraw/zinc/05/68/70/438056870.db2.gz VLQWSHBUWHYXGI-WDEREUQCSA-N 1 0 336.348 0.518 20 5 ECBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000418875486 438231139 /nfs/dbraw/zinc/23/11/39/438231139.db2.gz WVHOZJRJMKUUAV-WFASDCNBSA-N 1 0 348.403 0.982 20 5 ECBDRO Cc1nc(N2CCC(O)(C[NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000374940813 438237758 /nfs/dbraw/zinc/23/77/58/438237758.db2.gz BWUIZPYFPMXUHP-UHFFFAOYSA-N 1 0 336.392 0.962 20 5 ECBDRO COc1ccc(CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000418933704 438254673 /nfs/dbraw/zinc/25/46/73/438254673.db2.gz IVIKFYGKHMKBQH-LLVKDONJSA-N 1 0 336.348 0.169 20 5 ECBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]2C(=O)NC[C@H]2C1 ZINC000368068603 438283435 /nfs/dbraw/zinc/28/34/35/438283435.db2.gz BGSJNUGYTJXBAY-UHIISALHSA-N 1 0 332.360 0.990 20 5 ECBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)NCCc3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000418922970 438250745 /nfs/dbraw/zinc/25/07/45/438250745.db2.gz LOXGYFWLAJFZPT-NWANDNLSSA-N 1 0 346.387 0.449 20 5 ECBDRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000419045333 438302687 /nfs/dbraw/zinc/30/26/87/438302687.db2.gz WCMYSQRABKACIL-ZDUSSCGKSA-N 1 0 348.403 0.841 20 5 ECBDRO C[N@@H+]1CC[C@@H]2CCN(c3cccc(S(N)(=O)=O)c3[N+](=O)[O-])C[C@H]21 ZINC000368294193 438310867 /nfs/dbraw/zinc/31/08/67/438310867.db2.gz OYHKLSWCQRDOIO-ZYHUDNBSSA-N 1 0 340.405 0.773 20 5 ECBDRO CC1(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC[NH2+]CC1 ZINC000434689799 438314634 /nfs/dbraw/zinc/31/46/34/438314634.db2.gz XLXJHGKEBDPHKG-UHFFFAOYSA-N 1 0 348.359 0.579 20 5 ECBDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000378314705 438375190 /nfs/dbraw/zinc/37/51/90/438375190.db2.gz LDJZKJYBCUGFER-WOPDTQHZSA-N 1 0 337.380 0.937 20 5 ECBDRO O=C(CC[N@@H+]1CCN2CCOC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000368816824 438382591 /nfs/dbraw/zinc/38/25/91/438382591.db2.gz LCEWARPIRQNSKC-CYBMUJFWSA-N 1 0 334.376 0.940 20 5 ECBDRO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC2(CCOCC2)O1 ZINC000369130430 438428258 /nfs/dbraw/zinc/42/82/58/438428258.db2.gz NSHXFLGTLMIRPW-TZMCWYRMSA-N 1 0 340.380 0.422 20 5 ECBDRO CC[NH+](CC)CC[C@@H](CO)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000439131783 438499534 /nfs/dbraw/zinc/49/95/34/438499534.db2.gz IQAQPFXOBQBVJA-JTQLQIEISA-N 1 0 325.369 0.593 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCC[C@@H]2Cn2cccn2)c1 ZINC000369782038 438513341 /nfs/dbraw/zinc/51/33/41/438513341.db2.gz KZFPAZDMCSBARE-HIFRSBDPSA-N 1 0 334.380 0.903 20 5 ECBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000353736321 438529524 /nfs/dbraw/zinc/52/95/24/438529524.db2.gz JJYRLVQRGHKQQM-LLVKDONJSA-N 1 0 337.332 0.467 20 5 ECBDRO COC(=O)COc1ccc(C[NH2+]CCc2nnc[nH]2)cc1[N+](=O)[O-] ZINC000353774106 438534496 /nfs/dbraw/zinc/53/44/96/438534496.db2.gz YICKCMYLCXUOSC-UHFFFAOYSA-N 1 0 335.320 0.597 20 5 ECBDRO CC(C)[C@H]([NH3+])CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000440412608 438550469 /nfs/dbraw/zinc/55/04/69/438550469.db2.gz GAZMPKAPQBPJJN-SECBINFHSA-N 1 0 345.377 0.628 20 5 ECBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000493111000 438605765 /nfs/dbraw/zinc/60/57/65/438605765.db2.gz AZJSMRDOZNCGDV-JQSFKPKSSA-N 1 0 330.344 0.378 20 5 ECBDRO C[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C(=O)NCC[NH+](C)C ZINC000493280909 438614883 /nfs/dbraw/zinc/61/48/83/438614883.db2.gz BWFAEOZHUICIBE-BCPZQOPPSA-N 1 0 334.376 0.791 20 5 ECBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000454623793 438723026 /nfs/dbraw/zinc/72/30/26/438723026.db2.gz CWXZTYNHSJGUKS-CYBMUJFWSA-N 1 0 348.407 0.916 20 5 ECBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CNCCN1C ZINC000414974396 438724835 /nfs/dbraw/zinc/72/48/35/438724835.db2.gz KFFXETRAQNOCMB-SWLSCSKDSA-N 1 0 335.408 0.805 20 5 ECBDRO COC(=O)CC[C@H]([NH3+])C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000576461738 438784749 /nfs/dbraw/zinc/78/47/49/438784749.db2.gz ILNJESYVEPCNTH-LBPRGKRZSA-N 1 0 325.321 0.370 20 5 ECBDRO COc1ccc(NC(=O)C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590279219 438905713 /nfs/dbraw/zinc/90/57/13/438905713.db2.gz ANJXTRRGJPZLPF-GWCFXTLKSA-N 1 0 348.359 0.704 20 5 ECBDRO C[C@@]1(NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC[NH2+]C1 ZINC000595992827 438910106 /nfs/dbraw/zinc/91/01/06/438910106.db2.gz SSBPGVOFLRVASC-CYBMUJFWSA-N 1 0 327.362 0.480 20 5 ECBDRO CC(C)c1n[nH]c(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c1[N+](=O)[O-] ZINC000590355365 438912794 /nfs/dbraw/zinc/91/27/94/438912794.db2.gz SRVNWWFZHTUDCG-NSHDSACASA-N 1 0 336.396 0.561 20 5 ECBDRO COc1cccc(C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)c1[N+](=O)[O-] ZINC000578336508 438915682 /nfs/dbraw/zinc/91/56/82/438915682.db2.gz IKEIVNSNEKHGLJ-SNVBAGLBSA-N 1 0 338.364 0.400 20 5 ECBDRO C[NH+]1CCC(CNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596104930 438924428 /nfs/dbraw/zinc/92/44/28/438924428.db2.gz FULQSOZPHHXSFH-UHFFFAOYSA-N 1 0 328.394 0.996 20 5 ECBDRO NC(=O)c1cc(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000596105753 438925833 /nfs/dbraw/zinc/92/58/33/438925833.db2.gz YFQXQMILGBYWGC-LLVKDONJSA-N 1 0 349.391 0.693 20 5 ECBDRO O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000601579864 438935480 /nfs/dbraw/zinc/93/54/80/438935480.db2.gz GWJFYADJRLYYHV-WFASDCNBSA-N 1 0 344.371 0.659 20 5 ECBDRO CC1(C)CN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC[NH2+]1 ZINC000565416492 438949294 /nfs/dbraw/zinc/94/92/94/438949294.db2.gz TZAOYRHOHOSZKE-UHFFFAOYSA-N 1 0 346.387 0.690 20 5 ECBDRO Cc1c(CNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000591415905 439010801 /nfs/dbraw/zinc/01/08/01/439010801.db2.gz RUENJKOEYLDZTH-CYBMUJFWSA-N 1 0 334.376 0.778 20 5 ECBDRO O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000601980283 438995168 /nfs/dbraw/zinc/99/51/68/438995168.db2.gz GLISONJZYASMJJ-NWDGAFQWSA-N 1 0 334.380 0.410 20 5 ECBDRO O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000601980285 438996243 /nfs/dbraw/zinc/99/62/43/438996243.db2.gz GLISONJZYASMJJ-VXGBXAGGSA-N 1 0 334.380 0.410 20 5 ECBDRO O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000601980535 438996372 /nfs/dbraw/zinc/99/63/72/438996372.db2.gz MSZFAROXGSQYSL-NWDGAFQWSA-N 1 0 334.380 0.410 20 5 ECBDRO C[C@H]([NH3+])CNC(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000591363042 439009035 /nfs/dbraw/zinc/00/90/35/439009035.db2.gz RJJUYJQASWDOFZ-QMMMGPOBSA-N 1 0 328.756 0.370 20 5 ECBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000591686156 439060065 /nfs/dbraw/zinc/06/00/65/439060065.db2.gz MIYNVIIXQLYBOO-CQSZACIVSA-N 1 0 346.387 0.973 20 5 ECBDRO Cc1c(CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cccc1[N+](=O)[O-] ZINC000591415935 439011615 /nfs/dbraw/zinc/01/16/15/439011615.db2.gz YBWNGMPJTQMEAZ-GXTWGEPZSA-N 1 0 346.387 0.730 20 5 ECBDRO NS(=O)(=O)c1ccc(N2CC[C@H]3CC[NH2+][C@H]3C2)c([N+](=O)[O-])c1 ZINC000591438111 439015333 /nfs/dbraw/zinc/01/53/33/439015333.db2.gz LAHZAUSCRCRPFE-KOLCDFICSA-N 1 0 326.378 0.430 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCN2CCCOCC2)c1 ZINC000519536570 439038070 /nfs/dbraw/zinc/03/80/70/439038070.db2.gz DPCGZXWNSAOGMU-HNNXBMFYSA-N 1 0 339.392 0.646 20 5 ECBDRO CO[C@@]1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCOC1 ZINC000580184373 439069063 /nfs/dbraw/zinc/06/90/63/439069063.db2.gz XJEUZGHOIZNIIL-SWLSCSKDSA-N 1 0 326.349 0.730 20 5 ECBDRO O=C1CCCCCN1CCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591723109 439075496 /nfs/dbraw/zinc/07/54/96/439075496.db2.gz AGJWNMMMJWDVJB-CQSZACIVSA-N 1 0 339.396 0.535 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2nnc3n2CCC3)c1 ZINC000591727811 439076953 /nfs/dbraw/zinc/07/69/53/439076953.db2.gz VFOJILWYYHEMJU-ZDUSSCGKSA-N 1 0 347.375 0.705 20 5 ECBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CN(C)CCO1 ZINC000591756693 439080524 /nfs/dbraw/zinc/08/05/24/439080524.db2.gz QBZGWZODDIEGAW-JGGQBBKZSA-N 1 0 339.392 0.643 20 5 ECBDRO CC(C)(C)N1C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O ZINC000521613705 439125431 /nfs/dbraw/zinc/12/54/31/439125431.db2.gz YAKDJRPUEUWLJC-ZYHUDNBSSA-N 1 0 325.369 0.141 20 5 ECBDRO COc1cccc(C(=O)N2CC(C[NH+]3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000597694506 439161060 /nfs/dbraw/zinc/16/10/60/439161060.db2.gz KNMKNYDAUYUTPV-UHFFFAOYSA-N 1 0 348.403 0.923 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1nnc2n1CCC2 ZINC000567679359 439163658 /nfs/dbraw/zinc/16/36/58/439163658.db2.gz UJXATAJVYAHZOM-GFCCVEGCSA-N 1 0 347.375 0.705 20 5 ECBDRO C[C@@H]1COCCN1CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567679098 439163808 /nfs/dbraw/zinc/16/38/08/439163808.db2.gz KVBNXKJLUJRHGB-ZIAGYGMSSA-N 1 0 339.392 0.645 20 5 ECBDRO CC(C)(C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OCCO ZINC000592430966 439227136 /nfs/dbraw/zinc/22/71/36/439227136.db2.gz UMSPRFBHVWMFTM-UHFFFAOYSA-N 1 0 346.405 0.746 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H](O)[C@H]2CCOC2)cc1 ZINC000592431075 439227195 /nfs/dbraw/zinc/22/71/95/439227195.db2.gz LCZIUNLWOGWNFB-FZMZJTMJSA-N 1 0 344.389 0.356 20 5 ECBDRO CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NC[C@H](C)[NH3+] ZINC000592333080 439206017 /nfs/dbraw/zinc/20/60/17/439206017.db2.gz HNTVHZKBZCMOAE-DTWKUNHWSA-N 1 0 344.393 0.503 20 5 ECBDRO CCc1ccc(S(=O)(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000592373798 439211931 /nfs/dbraw/zinc/21/19/31/439211931.db2.gz CELFTVCXCPZYJE-YGRLFVJLSA-N 1 0 343.405 0.894 20 5 ECBDRO CCc1ccc(S(=O)(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000592373797 439212793 /nfs/dbraw/zinc/21/27/93/439212793.db2.gz CELFTVCXCPZYJE-QMTHXVAHSA-N 1 0 343.405 0.894 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000592386891 439216542 /nfs/dbraw/zinc/21/65/42/439216542.db2.gz YTCOCJGCXSTLEC-UWVGGRQHSA-N 1 0 329.378 0.880 20 5 ECBDRO CN(CCN1CC[NH2+]CC1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000592472006 439234037 /nfs/dbraw/zinc/23/40/37/439234037.db2.gz CPOCWMXYAXVKPR-UHFFFAOYSA-N 1 0 346.391 0.982 20 5 ECBDRO C[C@H]([NH3+])[C@@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCO1 ZINC000592475500 439235746 /nfs/dbraw/zinc/23/57/46/439235746.db2.gz LQDQGQZCUUQQDP-CQDKDKBSSA-N 1 0 334.376 0.748 20 5 ECBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000598183888 439236369 /nfs/dbraw/zinc/23/63/69/439236369.db2.gz BNDDPJVTEYFVTC-UHFFFAOYSA-N 1 0 336.392 0.995 20 5 ECBDRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000598187594 439237783 /nfs/dbraw/zinc/23/77/83/439237783.db2.gz QJWNIGWPWNFYFY-UHFFFAOYSA-N 1 0 337.380 0.269 20 5 ECBDRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000598184634 439238589 /nfs/dbraw/zinc/23/85/89/439238589.db2.gz GASMEBLIRBBTIJ-UHFFFAOYSA-N 1 0 340.355 0.826 20 5 ECBDRO COC[C@]1(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCC[NH2+]1 ZINC000568383180 439242079 /nfs/dbraw/zinc/24/20/79/439242079.db2.gz NFQGKCIQTMZFLQ-OAHLLOKOSA-N 1 0 337.332 0.822 20 5 ECBDRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000592548949 439249230 /nfs/dbraw/zinc/24/92/30/439249230.db2.gz USFJKBFOKSAFSR-GFCCVEGCSA-N 1 0 337.332 0.337 20 5 ECBDRO O=[N+]([O-])c1cccc(CC[NH2+]CC2(O)CCS(=O)(=O)CC2)c1 ZINC000581938864 439267007 /nfs/dbraw/zinc/26/70/07/439267007.db2.gz YBYBYJXJDIUQMS-UHFFFAOYSA-N 1 0 328.390 0.667 20 5 ECBDRO O=C(CNC(=O)c1cc([N+](=O)[O-])c[nH]1)NCC[NH+]1CCCCCC1 ZINC000568665449 439269570 /nfs/dbraw/zinc/26/95/70/439269570.db2.gz HJUJCHAOYAPFBX-UHFFFAOYSA-N 1 0 337.380 0.645 20 5 ECBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000598509798 439270323 /nfs/dbraw/zinc/27/03/23/439270323.db2.gz MTNDPGWNYOXQIM-ZDUSSCGKSA-N 1 0 330.348 0.577 20 5 ECBDRO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NCC[NH+]1CCCC1 ZINC000598894490 439322561 /nfs/dbraw/zinc/32/25/61/439322561.db2.gz MIFJFKVFDQXIQW-UHFFFAOYSA-N 1 0 335.364 0.928 20 5 ECBDRO C[N@@H+]1CC[C@H](CNC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598895293 439322645 /nfs/dbraw/zinc/32/26/45/439322645.db2.gz YIFQTFDVQJLZPH-LLVKDONJSA-N 1 0 335.364 0.784 20 5 ECBDRO Cc1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCCO2)c(C)c1[N+](=O)[O-] ZINC000598714664 439306319 /nfs/dbraw/zinc/30/63/19/439306319.db2.gz HJPDQEWUCBGDLK-LBPRGKRZSA-N 1 0 343.405 0.868 20 5 ECBDRO C[NH2+]CCOCCN(C)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000599107257 439360714 /nfs/dbraw/zinc/36/07/14/439360714.db2.gz MFPFPYDPSFPXQO-UHFFFAOYSA-N 1 0 347.393 0.460 20 5 ECBDRO CNC(=O)c1cccc(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000582660623 439363136 /nfs/dbraw/zinc/36/31/36/439363136.db2.gz HKKQQGTZQGCPBH-OAHLLOKOSA-N 1 0 347.375 0.344 20 5 ECBDRO Cc1cc(S(=O)(=O)NCC2([NH3+])CCOCC2)c(C)cc1[N+](=O)[O-] ZINC000599101112 439357208 /nfs/dbraw/zinc/35/72/08/439357208.db2.gz HSOXESPOQUCSFC-UHFFFAOYSA-N 1 0 343.405 0.998 20 5 ECBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1([NH3+])CCOCC1 ZINC000599105219 439358766 /nfs/dbraw/zinc/35/87/66/439358766.db2.gz XAAODZAXEJJAKW-UHFFFAOYSA-N 1 0 343.405 0.943 20 5 ECBDRO [NH3+][C@H]1C[C@H]2CN(C(=O)NCCc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000569943148 439378689 /nfs/dbraw/zinc/37/86/89/439378689.db2.gz VSUFOHGRTOQECM-KBPBESRZSA-N 1 0 347.375 0.091 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)n1 ZINC000599263816 439407086 /nfs/dbraw/zinc/40/70/86/439407086.db2.gz RTIUCWKJGGJTSC-WDEREUQCSA-N 1 0 343.409 0.433 20 5 ECBDRO C[NH2+][C@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1cnn(C)c1 ZINC000583082732 439417773 /nfs/dbraw/zinc/41/77/73/439417773.db2.gz CJHCWWBDJYLALG-AWEZNQCLSA-N 1 0 347.379 0.649 20 5 ECBDRO CSC[C@@H](O)C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000570443798 439420346 /nfs/dbraw/zinc/42/03/46/439420346.db2.gz BKDHSAOKLKPGSV-NSHDSACASA-N 1 0 349.434 0.187 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC000571158133 439480795 /nfs/dbraw/zinc/48/07/95/439480795.db2.gz XZCJAIUHAVIEJI-KOLCDFICSA-N 1 0 337.302 0.378 20 5 ECBDRO [NH3+]CC1(CCNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000593915455 439493814 /nfs/dbraw/zinc/49/38/14/439493814.db2.gz ZFQLHSSUFIENNO-UHFFFAOYSA-N 1 0 334.376 0.960 20 5 ECBDRO Cc1c(NC(=O)CC[NH+]2C[C@@H](CO)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000599531313 439499508 /nfs/dbraw/zinc/49/95/08/439499508.db2.gz RXKDKTUUXLBWHX-STQMWFEESA-N 1 0 337.376 0.764 20 5 ECBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594027055 439509230 /nfs/dbraw/zinc/50/92/30/439509230.db2.gz LARFDEZFINTTIA-FRRDWIJNSA-N 1 0 334.376 0.673 20 5 ECBDRO O=c1ccc([C@@H]2CCC[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000599642928 439524009 /nfs/dbraw/zinc/52/40/09/439524009.db2.gz XOKDVTUEFMWCAB-YPMHNXCESA-N 1 0 334.336 0.485 20 5 ECBDRO CNc1nccc(C(=O)N2CCN([C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000594317751 439541679 /nfs/dbraw/zinc/54/16/79/439541679.db2.gz IHRFMWJBZXENCL-LLVKDONJSA-N 1 0 335.364 0.578 20 5 ECBDRO O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000571916333 439543303 /nfs/dbraw/zinc/54/33/03/439543303.db2.gz WPLXPBTWPCRLNF-BBRMVZONSA-N 1 0 331.376 0.638 20 5 ECBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000609132118 439551443 /nfs/dbraw/zinc/55/14/43/439551443.db2.gz XIMYYZQWRJEIGC-UHFFFAOYSA-N 1 0 349.391 0.314 20 5 ECBDRO COc1cc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000594387540 439552100 /nfs/dbraw/zinc/55/21/00/439552100.db2.gz SKDQLAKAXIOVAD-VHSXEESVSA-N 1 0 339.323 0.634 20 5 ECBDRO C[NH2+]CCOCCN(C)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000599907364 439573716 /nfs/dbraw/zinc/57/37/16/439573716.db2.gz MTDWBWSIHUZTQQ-UHFFFAOYSA-N 1 0 340.380 0.981 20 5 ECBDRO [NH3+]CC1(NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCOCC1 ZINC000599917956 439576042 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1 0 343.405 0.948 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595120551 439655422 /nfs/dbraw/zinc/65/54/22/439655422.db2.gz HTSLIWBCAZBNQC-NXEZZACHSA-N 1 0 333.341 0.663 20 5 ECBDRO CN(CCC[NH+](C)C)CCNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000594822256 439622320 /nfs/dbraw/zinc/62/23/20/439622320.db2.gz UFFYUNPAQNJLHC-UHFFFAOYSA-N 1 0 345.425 0.152 20 5 ECBDRO C[C@@H](CN1CCCC1=O)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000574552262 439712654 /nfs/dbraw/zinc/71/26/54/439712654.db2.gz YSZBRMZAIYQCGG-QWHCGFSZSA-N 1 0 337.376 0.935 20 5 ECBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000600526477 439675298 /nfs/dbraw/zinc/67/52/98/439675298.db2.gz JRUJHFXOFQQRSL-SNVBAGLBSA-N 1 0 337.332 0.162 20 5 ECBDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000595279834 439689631 /nfs/dbraw/zinc/68/96/31/439689631.db2.gz WLAVIHHCTOCMPN-GFCCVEGCSA-N 1 0 336.392 0.758 20 5 ECBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCc1nnnn1C ZINC000611327548 439692201 /nfs/dbraw/zinc/69/22/01/439692201.db2.gz IXZQZOKNYNREEF-JTQLQIEISA-N 1 0 333.352 0.668 20 5 ECBDRO C[C@@]1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)COc2ccccc2O1 ZINC000600743462 439697889 /nfs/dbraw/zinc/69/78/89/439697889.db2.gz CFJBGKQLTKLNSJ-XJKSGUPXSA-N 1 0 348.359 0.972 20 5 ECBDRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000324649226 320720982 /nfs/dbraw/zinc/72/09/82/320720982.db2.gz ATPSPYXTTRTYFB-QPJJXVBHSA-N 1 0 332.360 0.498 20 5 ECBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H](C)[NH+](C)C ZINC000344654256 321159111 /nfs/dbraw/zinc/15/91/11/321159111.db2.gz LLFMPQXYVMKIAQ-MWLCHTKSSA-N 1 0 326.401 0.894 20 5 ECBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H](C)C1 ZINC000346164744 321217134 /nfs/dbraw/zinc/21/71/34/321217134.db2.gz QAWIUHAFRMWNSM-KCQAQPDRSA-N 1 0 348.403 0.945 20 5 ECBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 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CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000568857836 322635280 /nfs/dbraw/zinc/63/52/80/322635280.db2.gz RPLTUIRXLNYWTH-DYEKYZERSA-N 1 0 339.396 0.389 20 5 ECBDRO C[C@@H](COCC(F)(F)F)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000569111838 322643560 /nfs/dbraw/zinc/64/35/60/322643560.db2.gz XQTOTIMSXIRPDC-WPRPVWTQSA-N 1 0 326.275 0.709 20 5 ECBDRO CSC[C@H](O)C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000570443797 322687825 /nfs/dbraw/zinc/68/78/25/322687825.db2.gz BKDHSAOKLKPGSV-LLVKDONJSA-N 1 0 349.434 0.187 20 5 ECBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CCN2C1=O ZINC000571344931 322718478 /nfs/dbraw/zinc/71/84/78/322718478.db2.gz XWEWYTGCMWZQNA-VXGBXAGGSA-N 1 0 338.751 0.632 20 5 ECBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCc3nnnn3CC2)c1 ZINC000573084157 322756130 /nfs/dbraw/zinc/75/61/30/322756130.db2.gz MZISWWUUSJUHCO-DGCLKSJQSA-N 1 0 348.363 0.316 20 5 ECBDRO COc1cccc(C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)c1[N+](=O)[O-] ZINC000576516103 322808812 /nfs/dbraw/zinc/80/88/12/322808812.db2.gz IPPYHGPXLOIKGW-UHFFFAOYSA-N 1 0 347.335 0.383 20 5 ECBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000577851018 322848141 /nfs/dbraw/zinc/84/81/41/322848141.db2.gz XOSLUTYOEIPZJT-LBPRGKRZSA-N 1 0 349.391 0.217 20 5 ECBDRO O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000578490425 322865417 /nfs/dbraw/zinc/86/54/17/322865417.db2.gz HPXZLMHCKZSUFK-OLZOCXBDSA-N 1 0 332.360 0.564 20 5 ECBDRO O=C(NCC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000578880521 322878548 /nfs/dbraw/zinc/87/85/48/322878548.db2.gz HFNVVKCTHLZVPQ-LBPRGKRZSA-N 1 0 349.343 0.947 20 5 ECBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000579613622 322902189 /nfs/dbraw/zinc/90/21/89/322902189.db2.gz WIRXBVUYKQDOGP-GHMZBOCLSA-N 1 0 334.332 0.130 20 5 ECBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@]1(C(N)=O)CCOC1 ZINC000579974336 322912315 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IBMGMMBLUZALNM-RZFFKMDDSA-N 1 0 336.344 0.685 20 5 ECBDRO CS(=O)(=O)NCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765359431 579063983 /nfs/dbraw/zinc/06/39/83/579063983.db2.gz WXIKQTLHGXFBPY-UHFFFAOYSA-N 1 0 342.421 0.702 20 5 ECBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000762554456 579544017 /nfs/dbraw/zinc/54/40/17/579544017.db2.gz HSWDNIDPOUBHLI-CYBMUJFWSA-N 1 0 347.368 0.387 20 5 ECBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000762721806 579547005 /nfs/dbraw/zinc/54/70/05/579547005.db2.gz OCKRFVGCPMETNS-QGZVFWFLSA-N 1 0 348.403 0.991 20 5 ECBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](CCO)CC2)c(-c2nn[nH]n2)c1 ZINC000738369351 579624719 /nfs/dbraw/zinc/62/47/19/579624719.db2.gz LOEZFCVETJSBGA-UHFFFAOYSA-N 1 0 334.340 0.039 20 5 ECBDRO O=C1[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C1CCOCC1 ZINC000747815770 579854892 /nfs/dbraw/zinc/85/48/92/579854892.db2.gz UQPDEKQBDWUVSI-HZPDHXFCSA-N 1 0 349.387 0.998 20 5 ECBDRO 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KPOIGSAOWPZHHZ-GHMZBOCLSA-N 1 0 339.421 0.846 20 5 ECBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2cc3n(n2)CCCC3)CC1 ZINC000996429979 757658744 /nfs/dbraw/zinc/65/87/44/757658744.db2.gz XTTUHUCHHDBPSY-HZPDHXFCSA-N 1 0 347.419 0.965 20 5 ECBDRO CCn1ccnc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001022024093 758177622 /nfs/dbraw/zinc/17/76/22/758177622.db2.gz XGONIWHKKUDMFL-PHIMTYICSA-N 1 0 347.379 0.595 20 5 ECBDRO C[NH+](C)C1(C(=O)NC/C=C\CNc2ncc([N+](=O)[O-])c(N)n2)CCC1 ZINC001107379389 758420848 /nfs/dbraw/zinc/42/08/48/758420848.db2.gz HHPOHNWKOUZGEP-ARJAWSKDSA-N 1 0 349.395 0.536 20 5 ECBDRO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2ncccn2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050325389 760129525 /nfs/dbraw/zinc/12/95/25/760129525.db2.gz BANHWRVEKSHBFG-AAVRWANBSA-N 1 0 333.392 0.906 20 5 ECBDRO Cn1cc(CN2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(C(F)F)n1 ZINC001031663055 766383055 /nfs/dbraw/zinc/38/30/55/766383055.db2.gz QDBLHEYILNFLBI-GHMZBOCLSA-N 1 0 343.334 0.571 20 5 ECBDRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000130841814 767127543 /nfs/dbraw/zinc/12/75/43/767127543.db2.gz QQSHPSYDKNDSKN-LBPRGKRZSA-N 1 0 326.353 0.691 20 5 ECBDRO CN(C)c1cnc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC001127283951 767772496 /nfs/dbraw/zinc/77/24/96/767772496.db2.gz DXSZSOBGOVUJQC-UHFFFAOYSA-N 1 0 344.375 0.970 20 5 ECBDRO CC(C)[N@H+](C)CC(=O)NC1(C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001073014013 789275040 /nfs/dbraw/zinc/27/50/40/789275040.db2.gz DLSUBVRTDJTNMT-CHWSQXEVSA-N 1 0 340.424 0.489 20 5 ECBDRO CN(CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCCC[NH+](C)C ZINC001067388409 793074775 /nfs/dbraw/zinc/07/47/75/793074775.db2.gz DBMGTPFBSAJVJO-ZIAGYGMSSA-N 1 0 342.440 0.690 20 5 ECBDRO Cc1cccc(CNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001267371691 837271857 /nfs/dbraw/zinc/27/18/57/837271857.db2.gz QYFLYZCOTMXTSF-HUUCEWRRSA-N 1 0 348.403 0.324 20 5 ECBDRO CNC(=O)c1ccc(C[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 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ECBDRO CC[N@H+](C)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000111661369 220177108 /nfs/dbraw/zinc/17/71/08/220177108.db2.gz DSHGCCPDBLDWAV-NSHDSACASA-N 1 0 338.364 0.860 20 5 ECBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000450622536 211336218 /nfs/dbraw/zinc/33/62/18/211336218.db2.gz KDLHKIIUMKZGRR-MRXNPFEDSA-N 1 0 345.359 0.577 20 5 ECBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000449750757 211297613 /nfs/dbraw/zinc/29/76/13/211297613.db2.gz WHCOKWAUIRYGRH-CYBMUJFWSA-N 1 0 348.359 0.577 20 5 ECBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000449713938 211295587 /nfs/dbraw/zinc/29/55/87/211295587.db2.gz ZHLOFMLGUTXSLH-WCQYABFASA-N 1 0 334.376 0.958 20 5 ECBDRO CN1CC[NH2+]C[C@H]1CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000449694386 211290994 /nfs/dbraw/zinc/29/09/94/211290994.db2.gz HECSZPFHULZBBF-LBPRGKRZSA-N 1 0 344.375 0.414 20 5 ECBDRO CN(C(=O)CN1c2cc([N+](=O)[O-])ccc2OCC1=O)C1CC([NH3+])C1 ZINC000449632683 211287125 /nfs/dbraw/zinc/28/71/25/211287125.db2.gz NFMLGDOCUBHLIN-UHFFFAOYSA-N 1 0 334.332 0.268 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CO)[C@@H]1CCCO1 ZINC000447924775 211217830 /nfs/dbraw/zinc/21/78/30/211217830.db2.gz XGPDCYJNHDMOEG-STQMWFEESA-N 1 0 339.348 0.671 20 5 ECBDRO COc1cc(S(=O)(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000447243264 211177130 /nfs/dbraw/zinc/17/71/30/211177130.db2.gz IMXBWGPDGBRAHK-ZJUUUORDSA-N 1 0 329.378 0.961 20 5 ECBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000267835735 251393484 /nfs/dbraw/zinc/39/34/84/251393484.db2.gz SIHSFFDEQKGCID-ZDUSSCGKSA-N 1 0 347.375 0.941 20 5 ECBDRO COC[C@@H]1C[C@H](O)C[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000411914190 208169203 /nfs/dbraw/zinc/16/92/03/208169203.db2.gz STSSMLYGZWSPLB-AVGNSLFASA-N 1 0 326.349 0.416 20 5 ECBDRO CN(C)C(=O)[C@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000411950534 208177061 /nfs/dbraw/zinc/17/70/61/208177061.db2.gz WRJLERQURDSRFL-GXTWGEPZSA-N 1 0 337.376 0.745 20 5 ECBDRO COC(=O)c1ccc(S(=O)(=O)N[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000420442842 209367686 /nfs/dbraw/zinc/36/76/86/209367686.db2.gz FGGVAOUDYKYRNM-NSHDSACASA-N 1 0 343.361 0.397 20 5 ECBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C ZINC000429218086 210306156 /nfs/dbraw/zinc/30/61/56/210306156.db2.gz BQMXJZRBTAZLNN-MRVPVSSYSA-N 1 0 344.393 0.136 20 5 ECBDRO [NH3+]C[C@H]1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000429066999 210296479 /nfs/dbraw/zinc/29/64/79/210296479.db2.gz ZBWRUPLSQICKOX-GFCCVEGCSA-N 1 0 335.364 0.201 20 5 ECBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)NCCc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000419044748 208960495 /nfs/dbraw/zinc/96/04/95/208960495.db2.gz UUORNKYGLMMUIU-MGPQQGTHSA-N 1 0 346.387 0.449 20 5 ECBDRO COC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000496344552 255093004 /nfs/dbraw/zinc/09/30/04/255093004.db2.gz MBDORQDPOOELIS-HTQZYQBOSA-N 1 0 346.365 0.787 20 5 ECBDRO COC(=O)Nc1ccc(S(=O)(=O)N(C)[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000496930955 255143112 /nfs/dbraw/zinc/14/31/12/255143112.db2.gz OYAIPLPIIPDHKW-QMMMGPOBSA-N 1 0 346.365 0.741 20 5 ECBDRO C[C@@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)[C@H](C)[NH3+] ZINC000192065837 533205993 /nfs/dbraw/zinc/20/59/93/533205993.db2.gz XRJKLBFVQMBJFH-NEPJUHHUSA-N 1 0 334.376 0.863 20 5 ECBDRO [NH3+][C@H]1CCN(C(=O)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000419168016 209009624 /nfs/dbraw/zinc/00/96/24/209009624.db2.gz RILMJUMDJAYZEB-VIFPVBQESA-N 1 0 326.740 0.424 20 5 ECBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000419341676 209064984 /nfs/dbraw/zinc/06/49/84/209064984.db2.gz OPGYTJUKOGLRTH-STQMWFEESA-N 1 0 336.392 0.920 20 5 ECBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2C[NH2+]CCCO2)c1[N+](=O)[O-] ZINC000420464296 292087519 /nfs/dbraw/zinc/08/75/19/292087519.db2.gz XLEHOLQZIJVXIJ-LBPRGKRZSA-N 1 0 343.405 0.868 20 5 ECBDRO CO[C@H](C)[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000358060814 299679855 /nfs/dbraw/zinc/67/98/55/299679855.db2.gz LCEQZOQDUMJMQM-GHMZBOCLSA-N 1 0 331.394 0.886 20 5 ECBDRO COCCOC1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075747319 296618959 /nfs/dbraw/zinc/61/89/59/296618959.db2.gz GSCUMUOTKKKPJV-CYBMUJFWSA-N 1 0 328.369 0.280 20 5 ECBDRO COc1ccc(S(=O)(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000451864056 286350306 /nfs/dbraw/zinc/35/03/06/286350306.db2.gz GQGKOMLQQMJDRL-GXFFZTMASA-N 1 0 341.389 0.928 20 5 ECBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])n3C)C2)CC1 ZINC000359060581 299807887 /nfs/dbraw/zinc/80/78/87/299807887.db2.gz IHLJTWWRDQHUOT-CYBMUJFWSA-N 1 0 335.408 0.785 20 5 ECBDRO COC[C@]1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CCC[NH2+]1 ZINC000261825670 165248910 /nfs/dbraw/zinc/24/89/10/165248910.db2.gz HPYDKZVDWIVXTG-CQSZACIVSA-N 1 0 343.405 0.950 20 5 ECBDRO C[C@@H](C[NH3+])C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000262042869 165280279 /nfs/dbraw/zinc/28/02/79/165280279.db2.gz GNDJRFBYOOOQKD-VIFPVBQESA-N 1 0 326.378 0.536 20 5 ECBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000262428424 165348254 /nfs/dbraw/zinc/34/82/54/165348254.db2.gz FPXLLQQUBRAAJC-CHWSQXEVSA-N 1 0 325.390 0.966 20 5 ECBDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000165401170 226122852 /nfs/dbraw/zinc/12/28/52/226122852.db2.gz OOLAHCGQPVPIHY-AWEZNQCLSA-N 1 0 345.421 0.369 20 5 ECBDRO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCCC[NH+]1CCCC1 ZINC000171103031 226891673 /nfs/dbraw/zinc/89/16/73/226891673.db2.gz CURBEARYCDARNV-UHFFFAOYSA-N 1 0 334.376 0.927 20 5 ECBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000122600847 222121019 /nfs/dbraw/zinc/12/10/19/222121019.db2.gz GLCIAVGDBHPFRK-TZMCWYRMSA-N 1 0 336.392 0.945 20 5 ECBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000331681416 296956090 /nfs/dbraw/zinc/95/60/90/296956090.db2.gz QLYKEBVFRNORPN-GFCCVEGCSA-N 1 0 337.380 0.408 20 5 ECBDRO CNc1nccc(C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC000516978172 421220926 /nfs/dbraw/zinc/22/09/26/421220926.db2.gz AEFKMEJMBYCCGS-OAHLLOKOSA-N 1 0 335.364 0.218 20 5 ECBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC1(O)CC[NH+](C)CC1 ZINC000269781429 263204454 /nfs/dbraw/zinc/20/44/54/263204454.db2.gz OWNJIKULYFFFII-UHFFFAOYSA-N 1 0 343.405 0.638 20 5 ECBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000269888228 263210696 /nfs/dbraw/zinc/21/06/96/263210696.db2.gz KAEYOMBHXRZGLO-HNNXBMFYSA-N 1 0 339.348 0.408 20 5 ECBDRO CNC(=O)CCC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000269892186 263211213 /nfs/dbraw/zinc/21/12/13/263211213.db2.gz FCLQCQIFAGDZRA-UHFFFAOYSA-N 1 0 338.364 1.000 20 5 ECBDRO C[NH+](C)CCn1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)ccc1=O ZINC000270293701 263233693 /nfs/dbraw/zinc/23/36/93/263233693.db2.gz ZNEQAYWMAOZKJN-UHFFFAOYSA-N 1 0 347.331 0.671 20 5 ECBDRO COCC1(O)CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273195211 263402295 /nfs/dbraw/zinc/40/22/95/263402295.db2.gz RUFCJURWHZFNFU-CYBMUJFWSA-N 1 0 340.376 0.808 20 5 ECBDRO NS(=O)(=O)c1cc(NCC[N@@H+]2CCCOCC2)cc([N+](=O)[O-])c1 ZINC000275397537 263596119 /nfs/dbraw/zinc/59/61/19/263596119.db2.gz DMSUQNIFXGZTMP-UHFFFAOYSA-N 1 0 344.393 0.376 20 5 ECBDRO C[N@@H+]1CC[C@H]2OCCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])[C@H]2C1 ZINC000284965523 264263606 /nfs/dbraw/zinc/26/36/06/264263606.db2.gz WSEWLLSSSBRMHG-LSDHHAIUSA-N 1 0 334.376 0.599 20 5 ECBDRO C[NH+]1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)nc2)CC1 ZINC000285039380 264271631 /nfs/dbraw/zinc/27/16/31/264271631.db2.gz IDTUOEOTAXBHRV-UHFFFAOYSA-N 1 0 331.336 0.717 20 5 ECBDRO COC(=O)c1cc(C)nc(NCCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000286107510 264370124 /nfs/dbraw/zinc/37/01/24/264370124.db2.gz LLXJCMQLSMRCHS-UHFFFAOYSA-N 1 0 337.380 0.744 20 5 ECBDRO COCC[N@@H+]1CCCN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000286447760 264398444 /nfs/dbraw/zinc/39/84/44/264398444.db2.gz RHUQDAOYRPEXEX-UHFFFAOYSA-N 1 0 338.364 0.935 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)NC[C@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000293648037 264906100 /nfs/dbraw/zinc/90/61/00/264906100.db2.gz DXGSFNPMNYNJRZ-NSHDSACASA-N 1 0 336.392 0.947 20 5 ECBDRO CC[N@H+](CCO)CCNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000294992504 265038632 /nfs/dbraw/zinc/03/86/32/265038632.db2.gz NEUQBMBCLGKCTF-UHFFFAOYSA-N 1 0 329.328 0.787 20 5 ECBDRO CC[C@H]([NH3+])CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000295215635 265052754 /nfs/dbraw/zinc/05/27/54/265052754.db2.gz MDFXLOBQGFLSPL-JTQLQIEISA-N 1 0 344.393 0.069 20 5 ECBDRO COCCOC[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000296193938 265097375 /nfs/dbraw/zinc/09/73/75/265097375.db2.gz BPWRBZXEHJUBPQ-INIZCTEOSA-N 1 0 339.392 0.741 20 5 ECBDRO CCc1n[nH]c(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000298765379 265279541 /nfs/dbraw/zinc/27/95/41/265279541.db2.gz ZNFDTODLCYVUMD-SNVBAGLBSA-N 1 0 325.369 0.457 20 5 ECBDRO C[C@@H](C[NH3+])CNC(=O)CCCn1c2ccc([N+](=O)[O-])cc2oc1=O ZINC000441604407 278243923 /nfs/dbraw/zinc/24/39/23/278243923.db2.gz NBFOKQMVTQRTMK-JTQLQIEISA-N 1 0 336.348 0.994 20 5 ECBDRO C[C@@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1C[NH2+]C1 ZINC000422931236 278347783 /nfs/dbraw/zinc/34/77/83/278347783.db2.gz BEGAJZHWZLKECI-SNVBAGLBSA-N 1 0 328.394 0.071 20 5 ECBDRO C[NH+](C)C1CN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000128820517 282054209 /nfs/dbraw/zinc/05/42/09/282054209.db2.gz BALHZAWHTCCJHN-UHFFFAOYSA-N 1 0 334.376 0.817 20 5 ECBDRO C[C@@H]1C[C@H](NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC[NH2+]1 ZINC000332520238 297047912 /nfs/dbraw/zinc/04/79/12/297047912.db2.gz BYXFRJIPDLYXQW-CHWSQXEVSA-N 1 0 348.407 0.962 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CC[C@H](C[N@H+](C)CC)C2)c([N+](=O)[O-])n1 ZINC000332708295 297066802 /nfs/dbraw/zinc/06/68/02/297066802.db2.gz YGKZCGKSMBMKNP-LLVKDONJSA-N 1 0 345.425 0.774 20 5 ECBDRO O=C1NC[C@@H]2[C@H]1CCC[N@H+]2C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000337209446 297185271 /nfs/dbraw/zinc/18/52/71/297185271.db2.gz AXSYUAQTAXHHGT-NWANDNLSSA-N 1 0 335.360 0.545 20 5 ECBDRO Cn1c(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000343470581 297883288 /nfs/dbraw/zinc/88/32/88/297883288.db2.gz LIZALWLJNXUVNY-UHFFFAOYSA-N 1 0 349.391 0.314 20 5 ECBDRO COC(=O)c1cc(C(=O)NCCN2CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000347526943 298464087 /nfs/dbraw/zinc/46/40/87/298464087.db2.gz UMOGRVFESIAEAD-UHFFFAOYSA-N 1 0 336.348 0.016 20 5 ECBDRO CCn1cc(S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])n1 ZINC000353459398 299050839 /nfs/dbraw/zinc/05/08/39/299050839.db2.gz TULGBOJUOMIQMV-SNVBAGLBSA-N 1 0 333.414 0.805 20 5 ECBDRO C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)N1CC[NH+](C)CC1 ZINC000074139704 436108328 /nfs/dbraw/zinc/10/83/28/436108328.db2.gz WXASZRMIXHMGGD-JTQLQIEISA-N 1 0 339.371 0.682 20 5 ECBDRO O=C(CC[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)N1CCOCC1 ZINC000375402263 301172353 /nfs/dbraw/zinc/17/23/53/301172353.db2.gz JEEPTBLTXSJSLQ-CYBMUJFWSA-N 1 0 337.380 0.677 20 5 ECBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H]2C[NH2+]CCN2C)c1C ZINC000394067949 301452699 /nfs/dbraw/zinc/45/26/99/301452699.db2.gz LSBWTIXHNNZXBF-ZDUSSCGKSA-N 1 0 342.421 0.394 20 5 ECBDRO C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 ZINC000091482584 436450503 /nfs/dbraw/zinc/45/05/03/436450503.db2.gz AWZHLAJQTTVVLQ-SNVBAGLBSA-N 1 0 328.394 0.996 20 5 ECBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000519543552 301745014 /nfs/dbraw/zinc/74/50/14/301745014.db2.gz OJBXLEPIKBFAAJ-VXGBXAGGSA-N 1 0 336.396 0.947 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCCc2nnc3ccccn32)c1 ZINC000519598808 301748084 /nfs/dbraw/zinc/74/80/84/301748084.db2.gz SBZSHVUDBNNQQZ-CYBMUJFWSA-N 1 0 345.363 0.417 20 5 ECBDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ccc([N+](=O)[O-])cn3)CC2)C1=O ZINC000552044586 302382455 /nfs/dbraw/zinc/38/24/55/302382455.db2.gz HDZWNLWGFBNQBD-CQSZACIVSA-N 1 0 347.375 0.415 20 5 ECBDRO O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195255041 436685676 /nfs/dbraw/zinc/68/56/76/436685676.db2.gz ZIFVZFBTRHOFJK-PHIMTYICSA-N 1 0 328.332 0.467 20 5 ECBDRO C[NH+]1CCN(CCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000126619355 436789286 /nfs/dbraw/zinc/78/92/86/436789286.db2.gz VEKBMNCVFHAAKX-UHFFFAOYSA-N 1 0 345.403 0.982 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000274060524 436796754 /nfs/dbraw/zinc/79/67/54/436796754.db2.gz ABKVLCRCMTXFQJ-RYUDHWBXSA-N 1 0 339.348 0.360 20 5 ECBDRO C[NH+](C)C[C@@H]1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC000292991535 436841984 /nfs/dbraw/zinc/84/19/84/436841984.db2.gz GQQSPLYEFXUCQZ-JTQLQIEISA-N 1 0 328.394 0.630 20 5 ECBDRO CC[N@H+](CCO)CCNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000274673476 436858363 /nfs/dbraw/zinc/85/83/63/436858363.db2.gz PSJJNUQNWOFLSO-UHFFFAOYSA-N 1 0 340.380 0.717 20 5 ECBDRO CC[N@@H+]1CC[C@H]2OCCN(CCn3cc([N+](=O)[O-])ccc3=O)[C@H]2C1 ZINC000293386672 436871960 /nfs/dbraw/zinc/87/19/60/436871960.db2.gz WRAFSMSSKZBNSP-LSDHHAIUSA-N 1 0 336.392 0.552 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](CCCO)Cc2ccccn2)c1 ZINC000280696231 436913782 /nfs/dbraw/zinc/91/37/82/436913782.db2.gz ADLVPUSVRVRMJY-HNNXBMFYSA-N 1 0 335.364 0.432 20 5 ECBDRO NC(=O)c1ccc(SCC(=O)NCCCC[NH3+])c([N+](=O)[O-])c1 ZINC000262295258 436923276 /nfs/dbraw/zinc/92/32/76/436923276.db2.gz ZKZNQZLJYTVEFW-UHFFFAOYSA-N 1 0 326.378 0.641 20 5 ECBDRO COc1cc(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000261636451 436881277 /nfs/dbraw/zinc/88/12/77/436881277.db2.gz HXZITPGJFLMKNJ-CYBMUJFWSA-N 1 0 334.376 0.723 20 5 ECBDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000161439171 436889054 /nfs/dbraw/zinc/88/90/54/436889054.db2.gz OJFXRZDDBDDANS-LBPRGKRZSA-N 1 0 335.357 0.325 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261908803 436895497 /nfs/dbraw/zinc/89/54/97/436895497.db2.gz PYBQITNCXGJPGM-PWSUYJOCSA-N 1 0 341.389 0.976 20 5 ECBDRO C[C@H]1C[NH2+]CCN1C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000261927404 436896692 /nfs/dbraw/zinc/89/66/92/436896692.db2.gz BKFXMVOESIWKMX-VIFPVBQESA-N 1 0 338.389 0.606 20 5 ECBDRO NS(=O)(=O)c1ccc(NCC[N@@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000275383050 436962148 /nfs/dbraw/zinc/96/21/48/436962148.db2.gz BSWPFSCTXFDFLV-UHFFFAOYSA-N 1 0 344.393 0.376 20 5 ECBDRO Cc1c(C(=O)N[C@@H]2CCC[NH2+]C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000275404058 436964502 /nfs/dbraw/zinc/96/45/02/436964502.db2.gz CGDIRDSZISSTDX-SECBINFHSA-N 1 0 342.377 0.032 20 5 ECBDRO COCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000171129517 436967858 /nfs/dbraw/zinc/96/78/58/436967858.db2.gz ZAKZGFQZCKCFIL-UHFFFAOYSA-N 1 0 326.309 0.811 20 5 ECBDRO C[C@H]1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@@H+]1CC(C)(C)O ZINC000275448171 436970370 /nfs/dbraw/zinc/97/03/70/436970370.db2.gz CKRMUMXJDHLEIV-JTQLQIEISA-N 1 0 338.364 0.613 20 5 ECBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000295603936 436973926 /nfs/dbraw/zinc/97/39/26/436973926.db2.gz XHEIWHNZQWPEMA-ZDUSSCGKSA-N 1 0 337.376 0.937 20 5 ECBDRO Cn1cc([C@@H](CO)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000275205498 436940255 /nfs/dbraw/zinc/94/02/55/436940255.db2.gz RDNJSOHOFIUJPH-DZGCQCFKSA-N 1 0 336.348 0.391 20 5 ECBDRO Cc1cc(OCC(=O)NCC[NH+]2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000296996769 437000393 /nfs/dbraw/zinc/00/03/93/437000393.db2.gz QEBUTVLYTXGHDD-UHFFFAOYSA-N 1 0 337.376 0.855 20 5 ECBDRO CCCNC(=O)C1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000173472389 437052948 /nfs/dbraw/zinc/05/29/48/437052948.db2.gz RWJFKZKJMMSLBG-AWEZNQCLSA-N 1 0 339.396 0.390 20 5 ECBDRO COCC[N@@H+]1CCCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000299504003 437083341 /nfs/dbraw/zinc/08/33/41/437083341.db2.gz LHLNLQAUZLZVAI-UHFFFAOYSA-N 1 0 339.396 0.671 20 5 ECBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000331679371 437143110 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20 5 ECBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000277498824 437226067 /nfs/dbraw/zinc/22/60/67/437226067.db2.gz OTVLDSBUNFNFCT-RISCZKNCSA-N 1 0 334.376 0.971 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000277526878 437228306 /nfs/dbraw/zinc/22/83/06/437228306.db2.gz MGBJDOVGFWYPAC-ZDUSSCGKSA-N 1 0 334.376 0.890 20 5 ECBDRO CN1CC[N@H+](C)C[C@@H]1CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000324879567 437228710 /nfs/dbraw/zinc/22/87/10/437228710.db2.gz DINPEFPUWIEBMB-JTQLQIEISA-N 1 0 332.364 0.901 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000278455298 437313789 /nfs/dbraw/zinc/31/37/89/437313789.db2.gz IROLIXPKFMJZNZ-LBPRGKRZSA-N 1 0 339.396 0.717 20 5 ECBDRO CS[C@@H]1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000278122324 437283473 /nfs/dbraw/zinc/28/34/73/437283473.db2.gz SSRYLVVWUXAHPL-GHMZBOCLSA-N 1 0 326.378 0.813 20 5 ECBDRO 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NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000338966456 437429767 /nfs/dbraw/zinc/42/97/67/437429767.db2.gz LMGVIILDTOBDEG-AWEZNQCLSA-N 1 0 348.403 0.841 20 5 ECBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000353960639 437494974 /nfs/dbraw/zinc/49/49/74/437494974.db2.gz KECLAYLAVSXWHH-CQSZACIVSA-N 1 0 349.391 0.604 20 5 ECBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000290671665 437515409 /nfs/dbraw/zinc/51/54/09/437515409.db2.gz PKNTZHASMVCHHA-UHFFFAOYSA-N 1 0 339.396 0.651 20 5 ECBDRO CCn1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c([N+](=O)[O-])n1 ZINC000330461976 437517724 /nfs/dbraw/zinc/51/77/24/437517724.db2.gz XYDCOENXBQECDV-GHMZBOCLSA-N 1 0 345.425 0.772 20 5 ECBDRO C[C@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCN1CCO ZINC000188721838 437565382 /nfs/dbraw/zinc/56/53/82/437565382.db2.gz GZMDWUNRMDMROD-LBPRGKRZSA-N 1 0 343.405 0.423 20 5 ECBDRO C[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1CC(C)(C)O ZINC000188732601 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C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368385375 438323224 /nfs/dbraw/zinc/32/32/24/438323224.db2.gz NVGYCTZNRSCYDG-BXUZGUMPSA-N 1 0 346.387 0.971 20 5 ECBDRO C[C@H](NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000419131357 438337431 /nfs/dbraw/zinc/33/74/31/438337431.db2.gz CMMYGYLUUMCQDK-NTZNESFSSA-N 1 0 334.376 0.886 20 5 ECBDRO C[NH+](C)CC(=O)N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000435245997 438353558 /nfs/dbraw/zinc/35/35/58/438353558.db2.gz FIGQYECQMFMEKF-UHFFFAOYSA-N 1 0 347.375 0.942 20 5 ECBDRO C[C@H]1C[N@@H+](C2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)CCO1 ZINC000368784655 438380416 /nfs/dbraw/zinc/38/04/16/438380416.db2.gz PEBAKMBABMLDOY-LBPRGKRZSA-N 1 0 337.380 0.503 20 5 ECBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000420028122 438383582 /nfs/dbraw/zinc/38/35/82/438383582.db2.gz CHUPVACGIGQJRC-DGCLKSJQSA-N 1 0 334.376 0.797 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2ccc3c(c2)OCCO3)c1 ZINC000392292380 438443051 /nfs/dbraw/zinc/44/30/51/438443051.db2.gz NAGXFLBGHOWTOM-AWEZNQCLSA-N 1 0 348.359 0.756 20 5 ECBDRO CNC(=O)c1ccc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000368960951 438402068 /nfs/dbraw/zinc/40/20/68/438402068.db2.gz BSXLWYPUPVERPU-GOEBONIOSA-N 1 0 348.403 0.990 20 5 ECBDRO COCCC[N@@H+]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000369904611 438526967 /nfs/dbraw/zinc/52/69/67/438526967.db2.gz ODDRRFYSBUHPCM-OAHLLOKOSA-N 1 0 341.412 0.196 20 5 ECBDRO Cn1cnc([N+](=O)[O-])c1CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000370055582 438549080 /nfs/dbraw/zinc/54/90/80/438549080.db2.gz KPWREGZPOSMPKR-AWEZNQCLSA-N 1 0 336.440 0.930 20 5 ECBDRO C[C@@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]1 ZINC000422949493 438620168 /nfs/dbraw/zinc/62/01/68/438620168.db2.gz VHOGZNZNRGYQLF-BXUZGUMPSA-N 1 0 342.421 0.603 20 5 ECBDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000423110318 438636950 /nfs/dbraw/zinc/63/69/50/438636950.db2.gz VOLNWDOUPFTHDQ-CYBMUJFWSA-N 1 0 346.387 0.906 20 5 ECBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000423095740 438638018 /nfs/dbraw/zinc/63/80/18/438638018.db2.gz FVQXRFUTQHVCEM-YUTCNCBUSA-N 1 0 346.387 0.749 20 5 ECBDRO C[NH2+][C@H]1CCN(C(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000423110319 438638401 /nfs/dbraw/zinc/63/84/01/438638401.db2.gz VOLNWDOUPFTHDQ-ZDUSSCGKSA-N 1 0 346.387 0.906 20 5 ECBDRO O=C(C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)N1CCOCC1 ZINC000447589301 438676953 /nfs/dbraw/zinc/67/69/53/438676953.db2.gz XMTCNCIGTQRJFI-QWHCGFSZSA-N 1 0 337.380 0.723 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2CC[C@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000423525185 438683815 /nfs/dbraw/zinc/68/38/15/438683815.db2.gz KCJHFCJDNLXBRH-KRWDZBQOSA-N 1 0 346.387 0.845 20 5 ECBDRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000423564630 438689118 /nfs/dbraw/zinc/68/91/18/438689118.db2.gz AZEXTBOSWWBRFD-NSHDSACASA-N 1 0 348.359 0.134 20 5 ECBDRO COC(=O)[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CC[N@H+](C)C1 ZINC000413494734 438694259 /nfs/dbraw/zinc/69/42/59/438694259.db2.gz ICBJZHDQVGISFC-JTQLQIEISA-N 1 0 334.336 0.179 20 5 ECBDRO C[C@H]1CN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C[C@H]1[NH3+] ZINC000423305661 438658434 /nfs/dbraw/zinc/65/84/34/438658434.db2.gz KXQZMVHZHQBMGP-IINYFYTJSA-N 1 0 332.360 0.285 20 5 ECBDRO CNc1nc(C(=O)Nc2ccn(CC[NH+](C)C)n2)ccc1[N+](=O)[O-] ZINC000455213896 438740641 /nfs/dbraw/zinc/74/06/41/438740641.db2.gz NPFRATQSLYSHTD-UHFFFAOYSA-N 1 0 333.352 1.042 20 5 ECBDRO CN(C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CC[NH2+]C1 ZINC000575174056 438740714 /nfs/dbraw/zinc/74/07/14/438740714.db2.gz OBODPURWZKKNQJ-MNOVXSKESA-N 1 0 336.348 0.613 20 5 ECBDRO C[NH2+]CCN(C)S(=O)(=O)c1ccc(NC(=O)OC)c([N+](=O)[O-])c1 ZINC000497094221 438766798 /nfs/dbraw/zinc/76/67/98/438766798.db2.gz XLQNBVPJVSXTRX-UHFFFAOYSA-N 1 0 346.365 0.613 20 5 ECBDRO CS[C@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000554864258 438769958 /nfs/dbraw/zinc/76/99/58/438769958.db2.gz WFADOMLMBOCAEH-MNOVXSKESA-N 1 0 325.394 0.970 20 5 ECBDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000457117880 438793418 /nfs/dbraw/zinc/79/34/18/438793418.db2.gz GZTBABBDRMTGLS-QWHCGFSZSA-N 1 0 333.392 0.836 20 5 ECBDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC000514647505 438821060 /nfs/dbraw/zinc/82/10/60/438821060.db2.gz LSECJNFITNAQRP-STQMWFEESA-N 1 0 337.380 0.816 20 5 ECBDRO O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1c[nH]nc1[N+](=O)[O-] ZINC000577205156 438823537 /nfs/dbraw/zinc/82/35/37/438823537.db2.gz HLRWMUHLZNIMHP-CHWSQXEVSA-N 1 0 345.359 0.683 20 5 ECBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1COCCO1 ZINC000595744030 438853877 /nfs/dbraw/zinc/85/38/77/438853877.db2.gz UNXBMTJKZSYDGP-HIFRSBDPSA-N 1 0 326.349 0.682 20 5 ECBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1COCCO1 ZINC000595744029 438854024 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OAEWFMQHIFTGAH-JQWIXIFHSA-N 1 0 341.389 0.928 20 5 ECBDRO C[NH+](C)[C@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000590384341 438916026 /nfs/dbraw/zinc/91/60/26/438916026.db2.gz GRPILEIXWPSOLL-HOTGVXAUSA-N 1 0 348.403 0.942 20 5 ECBDRO [NH3+]CCC1CCN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000565113613 438917015 /nfs/dbraw/zinc/91/70/15/438917015.db2.gz HMKCEHKUJDSGPR-UHFFFAOYSA-N 1 0 348.403 0.841 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC(C[NH+]2CCN(C)CC2)C1 ZINC000590399629 438917892 /nfs/dbraw/zinc/91/78/92/438917892.db2.gz LMECSDSQJNIMJY-UHFFFAOYSA-N 1 0 348.403 0.923 20 5 ECBDRO COC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@H+](C)C1 ZINC000596271252 438949129 /nfs/dbraw/zinc/94/91/29/438949129.db2.gz YLPBFPNPPRTFJY-JTQLQIEISA-N 1 0 336.348 0.235 20 5 ECBDRO CC(C)[N@H+](C)C[C@@H](O)COc1ccc([N+](=O)[O-])cc1-n1cnnn1 ZINC000565489935 438955153 /nfs/dbraw/zinc/95/51/53/438955153.db2.gz FCOCXVJVLFYICP-GFCCVEGCSA-N 1 0 336.352 0.650 20 5 ECBDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000517234020 438956606 /nfs/dbraw/zinc/95/66/06/438956606.db2.gz NQSCTAHCQYPNKK-WFASDCNBSA-N 1 0 346.387 0.877 20 5 ECBDRO O=[N+]([O-])c1cnc(NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)nc1 ZINC000596422841 438960871 /nfs/dbraw/zinc/96/08/71/438960871.db2.gz HPKBAFNFUQMOIM-OAHLLOKOSA-N 1 0 329.360 1.564 20 5 ECBDRO Cn1cc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(C(F)(F)F)n1 ZINC000578980943 438969092 /nfs/dbraw/zinc/96/90/92/438969092.db2.gz AQPJCVUXDVOPLH-JTQLQIEISA-N 1 0 348.285 0.694 20 5 ECBDRO O=[N+]([O-])c1cnc2ccc(N3CCC([N@@H+]4CC[C@H](O)C4)CC3)nn21 ZINC000596540585 438974455 /nfs/dbraw/zinc/97/44/55/438974455.db2.gz VACFZPJWHZUGHO-LBPRGKRZSA-N 1 0 332.364 0.673 20 5 ECBDRO CCNC(=O)C(C)(C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000459563485 438975596 /nfs/dbraw/zinc/97/55/96/438975596.db2.gz QONSJIVTRXIQBW-GFCCVEGCSA-N 1 0 325.365 0.839 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 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CN(C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)[C@H]1CC[NH2+]C1 ZINC000581006322 439157175 /nfs/dbraw/zinc/15/71/75/439157175.db2.gz IJWRQUVZMMQZNE-JTQLQIEISA-N 1 0 327.362 0.432 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2cccc(-n3cncn3)c2)c1 ZINC000567689587 439163972 /nfs/dbraw/zinc/16/39/72/439163972.db2.gz MSZCJNUZSNZPKN-HNNXBMFYSA-N 1 0 343.347 0.523 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)ccc1[N+](=O)[O-] ZINC000592247928 439189562 /nfs/dbraw/zinc/18/95/62/439189562.db2.gz QGRACHDTKPRZDA-TZMCWYRMSA-N 1 0 346.387 0.843 20 5 ECBDRO COC(=O)c1cc(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000592309521 439199592 /nfs/dbraw/zinc/19/95/92/439199592.db2.gz RYPNJMXGBUDYQW-TVQRCGJNSA-N 1 0 337.332 0.570 20 5 ECBDRO Cc1n[nH]c(C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1[N+](=O)[O-] ZINC000592340978 439209119 /nfs/dbraw/zinc/20/91/19/439209119.db2.gz IKJYONRJPQVOSS-SMDDNHRTSA-N 1 0 337.380 0.985 20 5 ECBDRO CN(C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)C1CC([NH3+])C1 ZINC000592339543 439209265 /nfs/dbraw/zinc/20/92/65/439209265.db2.gz NFRUWXFRJVAOFG-UHFFFAOYSA-N 1 0 327.362 0.560 20 5 ECBDRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000592375001 439213645 /nfs/dbraw/zinc/21/36/45/439213645.db2.gz RAETXIVPBZJDAK-FZMZJTMJSA-N 1 0 343.405 0.515 20 5 ECBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000592374021 439213951 /nfs/dbraw/zinc/21/39/51/439213951.db2.gz GVANABFBKAKELM-YPMHNXCESA-N 1 0 343.405 0.948 20 5 ECBDRO COc1cc(Cn2cc(CN3CC[NH2+]CC3)nn2)ccc1[N+](=O)[O-] ZINC000603244979 439218164 /nfs/dbraw/zinc/21/81/64/439218164.db2.gz XYYDDCQRIPJKFO-UHFFFAOYSA-N 1 0 332.364 0.648 20 5 ECBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000598540550 439276941 /nfs/dbraw/zinc/27/69/41/439276941.db2.gz PLZGBMLVRGKELA-ZDUSSCGKSA-N 1 0 339.396 0.669 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)n1 ZINC000598538518 439277054 /nfs/dbraw/zinc/27/70/54/439277054.db2.gz AOMXCIXNFHXSBR-NSHDSACASA-N 1 0 325.369 0.511 20 5 ECBDRO CN(CC1C[NH+](C)C1)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000598162949 439234139 /nfs/dbraw/zinc/23/41/39/439234139.db2.gz LHENLSASFAMKON-UHFFFAOYSA-N 1 0 348.359 0.340 20 5 ECBDRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000598183756 439236046 /nfs/dbraw/zinc/23/60/46/439236046.db2.gz AOVYXIWBKWLQDV-UHFFFAOYSA-N 1 0 328.394 0.748 20 5 ECBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCN1CC[NH2+]CC1 ZINC000592472126 439236309 /nfs/dbraw/zinc/23/63/09/439236309.db2.gz NIEZLGOVTRMEID-CYBMUJFWSA-N 1 0 335.408 0.759 20 5 ECBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCC1(O)CCOCC1 ZINC000569232679 439315608 /nfs/dbraw/zinc/31/56/08/439315608.db2.gz IFFPYLBKGRPJDT-CYBMUJFWSA-N 1 0 340.376 0.856 20 5 ECBDRO Cn1cnc(CCNC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000598904710 439325072 /nfs/dbraw/zinc/32/50/72/439325072.db2.gz PMCHBXRGTPPOCH-UHFFFAOYSA-N 1 0 346.347 0.809 20 5 ECBDRO O=C(NCC(=O)N1CC[NH2+]CC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000598914360 439326929 /nfs/dbraw/zinc/32/69/29/439326929.db2.gz BIHVAHSMNCCYKW-UHFFFAOYSA-N 1 0 325.300 0.287 20 5 ECBDRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598914457 439327441 /nfs/dbraw/zinc/32/74/41/439327441.db2.gz FGLAXAJWKYYIEV-UHFFFAOYSA-N 1 0 339.327 0.629 20 5 ECBDRO CC(C)N1CC[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000582416140 439332621 /nfs/dbraw/zinc/33/26/21/439332621.db2.gz XMVRSMIQUZQNLW-HIFRSBDPSA-N 1 0 337.376 0.933 20 5 ECBDRO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[NH2+]C1 ZINC000598663492 439298898 /nfs/dbraw/zinc/29/88/98/439298898.db2.gz VLNWXLABJLRIDP-NSHDSACASA-N 1 0 335.364 0.832 20 5 ECBDRO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000598665914 439299559 /nfs/dbraw/zinc/29/95/59/439299559.db2.gz SXVGGIPDBRYTAV-RISCZKNCSA-N 1 0 347.375 0.927 20 5 ECBDRO [NH3+]CC1(CCNC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000598668864 439299828 /nfs/dbraw/zinc/29/98/28/439299828.db2.gz QPMSULAYNIPZFL-UHFFFAOYSA-N 1 0 335.364 0.962 20 5 ECBDRO C[C@@]1(C[NH3+])CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598665492 439300639 /nfs/dbraw/zinc/30/06/39/439300639.db2.gz OWJUTKUMUMHOEW-HNNXBMFYSA-N 1 0 335.364 0.914 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)n1 ZINC000599107423 439359866 /nfs/dbraw/zinc/35/98/66/439359866.db2.gz JKMZXEFEURBEIJ-LLVKDONJSA-N 1 0 343.409 0.339 20 5 ECBDRO C[NH2+]CCOCCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000599108261 439360479 /nfs/dbraw/zinc/36/04/79/439360479.db2.gz UUWVEIQWCBMETH-UHFFFAOYSA-N 1 0 331.394 0.293 20 5 ECBDRO CNc1nccc(C(=O)NCCC[N@H+](C)CCN(C)C)c1[N+](=O)[O-] ZINC000569825124 439366141 /nfs/dbraw/zinc/36/61/41/439366141.db2.gz MARWHMODGXMODO-UHFFFAOYSA-N 1 0 338.412 0.645 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC3(CC[NH2+]CC3)CC2)n1 ZINC000599102810 439357575 /nfs/dbraw/zinc/35/75/75/439357575.db2.gz RUMANFHJNWDYOD-UHFFFAOYSA-N 1 0 343.409 0.483 20 5 ECBDRO Cc1cc(S(=O)(=O)NC2(C[NH3+])CCOCC2)ccc1[N+](=O)[O-] ZINC000599104245 439358558 /nfs/dbraw/zinc/35/85/58/439358558.db2.gz RDLSMKRJYRDUKW-UHFFFAOYSA-N 1 0 329.378 0.689 20 5 ECBDRO CN1C[C@H]([NH2+][C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CCC1=O ZINC000582733732 439373972 /nfs/dbraw/zinc/37/39/72/439373972.db2.gz LSYUIHOEKFZTGA-MFKMUULPSA-N 1 0 346.343 0.437 20 5 ECBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599245639 439396715 /nfs/dbraw/zinc/39/67/15/439396715.db2.gz VOOVPKPQBRFCNG-VHSXEESVSA-N 1 0 331.398 0.289 20 5 ECBDRO CN1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000583376792 439455283 /nfs/dbraw/zinc/45/52/83/439455283.db2.gz GHKUKAPIBHPOJD-CHWSQXEVSA-N 1 0 337.376 0.793 20 5 ECBDRO C[C@@H](CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000599275702 439414961 /nfs/dbraw/zinc/41/49/61/439414961.db2.gz UPBJSHLUBZVIAS-NSHDSACASA-N 1 0 345.425 0.871 20 5 ECBDRO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599289304 439419752 /nfs/dbraw/zinc/41/97/52/439419752.db2.gz XJMDFJXOUQRZAX-UHFFFAOYSA-N 1 0 331.398 0.433 20 5 ECBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC000593649859 439435801 /nfs/dbraw/zinc/43/58/01/439435801.db2.gz JIUAIFKSWBXKLP-LLVKDONJSA-N 1 0 327.362 0.034 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)n1 ZINC000599338747 439440455 /nfs/dbraw/zinc/44/04/55/439440455.db2.gz WDDUIJZKKPTILK-VIFPVBQESA-N 1 0 331.398 0.479 20 5 ECBDRO COCCN(C)C[C@@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000593980910 439503350 /nfs/dbraw/zinc/50/33/50/439503350.db2.gz CZUILVPHODTUFT-CQSZACIVSA-N 1 0 341.412 0.367 20 5 ECBDRO CN1CC[C@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000583747844 439506383 /nfs/dbraw/zinc/50/63/83/439506383.db2.gz GUVQYZZNMVZYER-JSGCOSHPSA-N 1 0 337.376 0.793 20 5 ECBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594027910 439508411 /nfs/dbraw/zinc/50/84/11/439508411.db2.gz VCFDVXLNCUIZEE-LSDHHAIUSA-N 1 0 348.403 0.983 20 5 ECBDRO O=C(CCN1CC[N@@H+]2C[C@H](O)C[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000594027997 439508981 /nfs/dbraw/zinc/50/89/81/439508981.db2.gz YNAVLLDITXPYHL-LSDHHAIUSA-N 1 0 334.376 0.674 20 5 ECBDRO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000571633973 439518217 /nfs/dbraw/zinc/51/82/17/439518217.db2.gz GIGACSIMBSCNOE-STQMWFEESA-N 1 0 349.395 0.992 20 5 ECBDRO CNc1nccc(C(=O)Nc2cnn(CC[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000594259759 439533379 /nfs/dbraw/zinc/53/33/79/439533379.db2.gz IFMVGLQYHOUQBY-UHFFFAOYSA-N 1 0 333.352 1.042 20 5 ECBDRO C[C@@H]1CN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C[C@H]1[NH3+] ZINC000583988741 439534649 /nfs/dbraw/zinc/53/46/49/439534649.db2.gz ZPUMFAFNMRATRP-ZWNOBZJWSA-N 1 0 332.360 0.285 20 5 ECBDRO NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000608909221 439548063 /nfs/dbraw/zinc/54/80/63/439548063.db2.gz CAGVGWFBMXZNIQ-NSHDSACASA-N 1 0 340.405 0.917 20 5 ECBDRO Cc1nn(CCC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000594393799 439554107 /nfs/dbraw/zinc/55/41/07/439554107.db2.gz QBGATZQEFQSZEH-QWHCGFSZSA-N 1 0 337.380 0.076 20 5 ECBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594394598 439554632 /nfs/dbraw/zinc/55/46/32/439554632.db2.gz YHSVWVGQUYMUER-VHSXEESVSA-N 1 0 335.316 0.215 20 5 ECBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])nc2C)C1 ZINC000609269412 439560934 /nfs/dbraw/zinc/56/09/34/439560934.db2.gz PWNFITDKCXMGMZ-GFCCVEGCSA-N 1 0 325.369 0.327 20 5 ECBDRO [NH3+]C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(F)(F)F ZINC000594451298 439561874 /nfs/dbraw/zinc/56/18/74/439561874.db2.gz JLHXNVNTRVQRQQ-SNVBAGLBSA-N 1 0 335.238 0.985 20 5 ECBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000599898796 439571743 /nfs/dbraw/zinc/57/17/43/439571743.db2.gz XMPHPYKFVIKCMP-LLVKDONJSA-N 1 0 336.348 0.200 20 5 ECBDRO O=C(NC[C@@H]1COCC[NH2+]1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000599932470 439576902 /nfs/dbraw/zinc/57/69/02/439576902.db2.gz VENURHRGXVWRAB-CYBMUJFWSA-N 1 0 349.391 0.415 20 5 ECBDRO C[N@H+](CCN1CCCC1=O)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000609578225 439578635 /nfs/dbraw/zinc/57/86/35/439578635.db2.gz MBFMDPKGEXPQIK-AWEZNQCLSA-N 1 0 337.376 0.889 20 5 ECBDRO COc1cccc(OC)c1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000594717675 439595235 /nfs/dbraw/zinc/59/52/35/439595235.db2.gz DUNOVDOKFGIAPO-GFCCVEGCSA-N 1 0 336.348 0.959 20 5 ECBDRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610263981 439606371 /nfs/dbraw/zinc/60/63/71/439606371.db2.gz ADZKOSYTUFABPW-NSHDSACASA-N 1 0 328.394 0.952 20 5 ECBDRO Cc1ccc(NC(=O)C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000600070871 439608772 /nfs/dbraw/zinc/60/87/72/439608772.db2.gz RNJAOKDHGSJNND-GFCCVEGCSA-N 1 0 336.348 0.025 20 5 ECBDRO Cc1cc(S(=O)(=O)NCCN2CC[NH2+]CC2)c(C)cc1[N+](=O)[O-] ZINC000595105463 439654011 /nfs/dbraw/zinc/65/40/11/439654011.db2.gz PJFRYLWNTPGAJW-UHFFFAOYSA-N 1 0 342.421 0.395 20 5 ECBDRO [NH3+][C@@H]1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC[C@H]1F ZINC000595123090 439656753 /nfs/dbraw/zinc/65/67/53/439656753.db2.gz QZBDKJRWOOYOAD-VXGBXAGGSA-N 1 0 331.369 0.838 20 5 ECBDRO C[C@@H](Cn1cncn1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000573084300 439627617 /nfs/dbraw/zinc/62/76/17/439627617.db2.gz QDJLPEYUCITDIO-NSHDSACASA-N 1 0 339.377 0.638 20 5 ECBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCC[N@H+]1CC[C@H](O)C1 ZINC000600807430 439704690 /nfs/dbraw/zinc/70/46/90/439704690.db2.gz CSAZIEFJYNJSSE-LBPRGKRZSA-N 1 0 327.768 0.974 20 5 ECBDRO C[NH2+]C1(CNC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CCC1 ZINC000600826222 439706589 /nfs/dbraw/zinc/70/65/89/439706589.db2.gz YSROIZGPRWRKFO-UHFFFAOYSA-N 1 0 334.376 0.891 20 5 ECBDRO COc1ccc([N+](=O)[O-])cc1Cn1cc(CCN2CC[NH2+]CC2)nn1 ZINC000600974259 439717768 /nfs/dbraw/zinc/71/77/68/439717768.db2.gz XQUBBYSNLWKLOK-UHFFFAOYSA-N 1 0 346.391 0.691 20 5 ECBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000611234474 439683473 /nfs/dbraw/zinc/68/34/73/439683473.db2.gz OMWJMZNFBQSLRY-LBPRGKRZSA-N 1 0 337.380 0.655 20 5 ECBDRO Cc1noc(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000595309389 439697033 /nfs/dbraw/zinc/69/70/33/439697033.db2.gz RWDPDXGIBZALRH-UHFFFAOYSA-N 1 0 337.380 0.631 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CCN2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000612030410 439743983 /nfs/dbraw/zinc/74/39/83/439743983.db2.gz YXFUACTULVPTIJ-RYUDHWBXSA-N 1 0 325.390 0.520 20 5 ECBDRO COC(=O)CC[C@H]([NH3+])C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000288728418 320658012 /nfs/dbraw/zinc/65/80/12/320658012.db2.gz LDBGLQRMTMQPHD-NSHDSACASA-N 1 0 339.304 0.600 20 5 ECBDRO NC(=O)N[C@H]1CC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000342874146 321106987 /nfs/dbraw/zinc/10/69/87/321106987.db2.gz MLVZWKITCQDIKA-JTQLQIEISA-N 1 0 349.347 0.635 20 5 ECBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H](C)[NH+](C)C ZINC000344654257 321159106 /nfs/dbraw/zinc/15/91/06/321159106.db2.gz LLFMPQXYVMKIAQ-ONGXEEELSA-N 1 0 326.401 0.894 20 5 ECBDRO CN(C)CC[NH+]1CCC(CNC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000347510941 321242082 /nfs/dbraw/zinc/24/20/82/321242082.db2.gz AGAZBWVHILLVCT-UHFFFAOYSA-N 1 0 338.412 0.332 20 5 ECBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348785012 321288233 /nfs/dbraw/zinc/28/82/33/321288233.db2.gz CDPQWAQNLAWFHI-CQSZACIVSA-N 1 0 344.375 0.825 20 5 ECBDRO CCn1cc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])c([N+](=O)[O-])n1 ZINC000353216163 321385659 /nfs/dbraw/zinc/38/56/59/321385659.db2.gz JUTJEVMSBVXZBH-NXEZZACHSA-N 1 0 331.398 0.559 20 5 ECBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000366439564 321667666 /nfs/dbraw/zinc/66/76/66/321667666.db2.gz OFVOWXGIWFZZGF-XBFCOCLRSA-N 1 0 337.380 0.501 20 5 ECBDRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000534289073 322075088 /nfs/dbraw/zinc/07/50/88/322075088.db2.gz YMLAICIUOQIANL-UHFFFAOYSA-N 1 0 341.368 0.663 20 5 ECBDRO [NH3+]C[C@@H]1CN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000561159369 322254964 /nfs/dbraw/zinc/25/49/64/322254964.db2.gz BDEBWKSVZLCMGX-CQSZACIVSA-N 1 0 338.364 0.733 20 5 ECBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000564584404 322381471 /nfs/dbraw/zinc/38/14/71/322381471.db2.gz DYRTWZHPCVVZTN-CHWSQXEVSA-N 1 0 347.375 0.086 20 5 ECBDRO CCC(=O)N1CC[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000564853850 322400005 /nfs/dbraw/zinc/40/00/05/322400005.db2.gz IKQDVLNCEQLFSJ-GXTWGEPZSA-N 1 0 337.376 0.935 20 5 ECBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000565481274 322459368 /nfs/dbraw/zinc/45/93/68/322459368.db2.gz SQQMOHCPAAYGOP-MNOVXSKESA-N 1 0 334.376 0.722 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H](CO)CC2CCCC2)c1 ZINC000566232726 322516320 /nfs/dbraw/zinc/51/63/20/322516320.db2.gz SUSOJTJBZUYMEO-DZGCQCFKSA-N 1 0 326.397 0.931 20 5 ECBDRO C[C@H]1COCCN1CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567679097 322592566 /nfs/dbraw/zinc/59/25/66/322592566.db2.gz KVBNXKJLUJRHGB-UONOGXRCSA-N 1 0 339.392 0.645 20 5 ECBDRO CN(CCC[NH3+])C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000569943076 322670746 /nfs/dbraw/zinc/67/07/46/322670746.db2.gz PVBZFDBDVUVGNJ-UHFFFAOYSA-N 1 0 344.393 0.359 20 5 ECBDRO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000573929482 322770436 /nfs/dbraw/zinc/77/04/36/322770436.db2.gz OCKYZLDMNLODGP-CYBMUJFWSA-N 1 0 346.387 0.642 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H](CO)c2ccc(F)cc2)c1 ZINC000575749226 322795767 /nfs/dbraw/zinc/79/57/67/322795767.db2.gz OLFHLEGKPLYPOJ-DOMZBBRYSA-N 1 0 338.339 0.657 20 5 ECBDRO C[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C(=O)NCC[NH+](C)C ZINC000576417926 322807134 /nfs/dbraw/zinc/80/71/34/322807134.db2.gz ZAOSLDHUGXDCPO-JTQLQIEISA-N 1 0 347.375 0.872 20 5 ECBDRO O=C1[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1c1ccccc1 ZINC000577216514 322828942 /nfs/dbraw/zinc/82/89/42/322828942.db2.gz NVOHNLWWLZOAFN-CABCVRRESA-N 1 0 345.359 0.547 20 5 ECBDRO Cc1nn(C)c(N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000577714410 322843546 /nfs/dbraw/zinc/84/35/46/322843546.db2.gz QQQRUHOHBCXJSR-GFCCVEGCSA-N 1 0 336.396 0.285 20 5 ECBDRO CCc1nncn1CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578881512 322878601 /nfs/dbraw/zinc/87/86/01/322878601.db2.gz UPWMQTGVNYEHSJ-ZDUSSCGKSA-N 1 0 335.364 0.778 20 5 ECBDRO O=C(NCCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000579110746 322886327 /nfs/dbraw/zinc/88/63/27/322886327.db2.gz ICEYYLHMEZVKRP-OAHLLOKOSA-N 1 0 347.375 0.562 20 5 ECBDRO C[NH+](C)[C@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1O ZINC000579793452 322906794 /nfs/dbraw/zinc/90/67/94/322906794.db2.gz KPMJEFJXSPURTO-KKUMJFAQSA-N 1 0 334.376 0.307 20 5 ECBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@]1(C(N)=O)CCOC1 ZINC000579974333 322912392 /nfs/dbraw/zinc/91/23/92/322912392.db2.gz CKNPWMKHPDYBEE-HNNXBMFYSA-N 1 0 336.348 0.466 20 5 ECBDRO O=C(CC1CCCC1)NCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000580182758 322917889 /nfs/dbraw/zinc/91/78/89/322917889.db2.gz DBGISDZZWYPLLU-AWEZNQCLSA-N 1 0 339.396 0.438 20 5 ECBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000129211932 534480768 /nfs/dbraw/zinc/48/07/68/534480768.db2.gz OBMQFURFZRGHFQ-ZDUSSCGKSA-N 1 0 348.403 0.848 20 5 ECBDRO CC[N@H+](CCO)CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184335451 528552361 /nfs/dbraw/zinc/55/23/61/528552361.db2.gz PRTRYMFLXPKZHL-UHFFFAOYSA-N 1 0 331.394 0.328 20 5 ECBDRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000237160443 536459334 /nfs/dbraw/zinc/45/93/34/536459334.db2.gz ZOCNWCXAAOVBBW-NSHDSACASA-N 1 0 329.378 0.976 20 5 ECBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000619251682 546310661 /nfs/dbraw/zinc/31/06/61/546310661.db2.gz MAIBMWZRLWGWIG-GFCCVEGCSA-N 1 0 346.387 0.877 20 5 ECBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000733160139 578332950 /nfs/dbraw/zinc/33/29/50/578332950.db2.gz NYDBAOUCCREMOX-CYBMUJFWSA-N 1 0 337.380 0.551 20 5 ECBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H]1C ZINC000736145481 578411062 /nfs/dbraw/zinc/41/10/62/578411062.db2.gz CDXOIEYWEZDJBJ-GHMZBOCLSA-N 1 0 347.379 0.666 20 5 ECBDRO COCC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@@H]1C ZINC000737004430 578472036 /nfs/dbraw/zinc/47/20/36/578472036.db2.gz MMTXSLMMPHPYJD-NSHDSACASA-N 1 0 347.379 0.932 20 5 ECBDRO C[N@H+]1C[C@H]2CN(C(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)C[C@H]2C1 ZINC000787636943 578811951 /nfs/dbraw/zinc/81/19/51/578811951.db2.gz ZPCBCWUAKTWKKU-BETUJISGSA-N 1 0 329.360 0.965 20 5 ECBDRO COC(=O)COc1ccc(C[NH2+]CC2(C)OCCO2)cc1[N+](=O)[O-] ZINC000788965152 578846214 /nfs/dbraw/zinc/84/62/14/578846214.db2.gz JWMKMJZQOUUFDR-UHFFFAOYSA-N 1 0 340.332 0.999 20 5 ECBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000773535624 579229041 /nfs/dbraw/zinc/22/90/41/579229041.db2.gz VFYWSZZYCNALBH-AWEZNQCLSA-N 1 0 347.419 0.781 20 5 ECBDRO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H](O)CN1CCOCC1 ZINC000776593085 579285419 /nfs/dbraw/zinc/28/54/19/579285419.db2.gz VZICOTJYWKRIRM-CVEARBPZSA-N 1 0 339.392 0.253 20 5 ECBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)C[C@@H](O)C[NH3+] ZINC000842475900 589031888 /nfs/dbraw/zinc/03/18/88/589031888.db2.gz WFXOXYAVNRIMJS-SCZZXKLOSA-N 1 0 330.772 0.827 20 5 ECBDRO Cc1cc(S(=O)(=O)NC[C@H]2C[NH2+]CCCO2)cc([N+](=O)[O-])c1F ZINC000842481538 589032071 /nfs/dbraw/zinc/03/20/71/589032071.db2.gz KQNRYXXPHKXRSC-SNVBAGLBSA-N 1 0 347.368 0.699 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000842696215 589032989 /nfs/dbraw/zinc/03/29/89/589032989.db2.gz QLRKMMFCYVFBLM-JTQLQIEISA-N 1 0 329.378 0.963 20 5 ECBDRO C[C@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000896555452 586254158 /nfs/dbraw/zinc/25/41/58/586254158.db2.gz JLBXZMCESZDHAK-XJKSGUPXSA-N 1 0 349.435 0.782 20 5 ECBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)c1 ZINC000896566928 586256438 /nfs/dbraw/zinc/25/64/38/586256438.db2.gz FGBYQBYOSFPDJO-XHDPSFHLSA-N 1 0 336.392 0.968 20 5 ECBDRO COc1cc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000896567065 586256635 /nfs/dbraw/zinc/25/66/35/586256635.db2.gz YVPURGRNZJBBEA-FZMZJTMJSA-N 1 0 336.392 0.968 20 5 ECBDRO CNS(=O)(=O)c1ccc(N2CC[C@@H]3C[N@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000893939985 586367454 /nfs/dbraw/zinc/36/74/54/586367454.db2.gz LMTZSAKAQCEZJL-QMTHXVAHSA-N 1 0 340.405 0.643 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H](O)c2c(F)cccc2F)c1 ZINC000843086902 589050034 /nfs/dbraw/zinc/05/00/34/589050034.db2.gz JPDWVGIIILOERC-GWCFXTLKSA-N 1 0 342.302 0.754 20 5 ECBDRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000899946885 586514609 /nfs/dbraw/zinc/51/46/09/586514609.db2.gz JSQINZSTSKKDRB-GUYCJALGSA-N 1 0 348.403 0.699 20 5 ECBDRO COc1cc([C@@H](C)[NH2+]C[C@]2(CO)COCCN2C)cc([N+](=O)[O-])c1 ZINC000903224386 586772723 /nfs/dbraw/zinc/77/27/23/586772723.db2.gz VJMUCMIFELDGAL-WBMJQRKESA-N 1 0 339.392 0.947 20 5 ECBDRO COC[C@@H]1C[NH2+]CCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000903877844 586822436 /nfs/dbraw/zinc/82/24/36/586822436.db2.gz YDPRICQXGSVRCO-AWEZNQCLSA-N 1 0 334.376 0.404 20 5 ECBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000808159308 587146220 /nfs/dbraw/zinc/14/62/20/587146220.db2.gz BUFZGNVTJIOLDO-UONOGXRCSA-N 1 0 348.403 0.942 20 5 ECBDRO CCS(=O)(=O)CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000819013529 587464337 /nfs/dbraw/zinc/46/43/37/587464337.db2.gz VTCMJZUVAJFVHP-GFCCVEGCSA-N 1 0 332.378 0.359 20 5 ECBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000827012930 588095313 /nfs/dbraw/zinc/09/53/13/588095313.db2.gz CYTLYAVDRHSRJH-ZDUSSCGKSA-N 1 0 340.424 0.587 20 5 ECBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(OCC2C[NH2+]C2)c([N+](=O)[O-])c1 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C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000262719031 245141290 /nfs/dbraw/zinc/14/12/90/245141290.db2.gz FECQNTVWYYHBGT-TVQRCGJNSA-N 1 0 341.389 0.726 20 5 ECBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000262724941 245146900 /nfs/dbraw/zinc/14/69/00/245146900.db2.gz GWGQMKLBCRXXFC-JQWIXIFHSA-N 1 0 330.348 0.903 20 5 ECBDRO CC[NH+](CC)CCN(CCOC)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000264156425 246117888 /nfs/dbraw/zinc/11/78/88/246117888.db2.gz ICCUSMOTFLACIQ-UHFFFAOYSA-N 1 0 341.412 0.998 20 5 ECBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000264922971 247050330 /nfs/dbraw/zinc/05/03/30/247050330.db2.gz QFEZJVMVURJXGX-SNVBAGLBSA-N 1 0 346.343 0.401 20 5 ECBDRO C[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[NH+](C)CC1 ZINC000265011776 247133769 /nfs/dbraw/zinc/13/37/69/247133769.db2.gz HCRJCQVXXNLPIE-LLVKDONJSA-N 1 0 346.391 0.837 20 5 ECBDRO CCOC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266491487 248329487 /nfs/dbraw/zinc/32/94/87/248329487.db2.gz VMTZWSQCZKUXIO-DGCLKSJQSA-N 1 0 341.368 0.363 20 5 ECBDRO COc1cc(OCC(=O)NC[C@@H]2C[NH2+]CCN2C)ccc1[N+](=O)[O-] ZINC000449697166 211290900 /nfs/dbraw/zinc/29/09/00/211290900.db2.gz LRPYIGUQPCAZIU-NSHDSACASA-N 1 0 338.364 0.002 20 5 ECBDRO O=C(CN1CC[C@H]2C[NH2+]C[C@@H]2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000357087313 299515979 /nfs/dbraw/zinc/51/59/79/299515979.db2.gz MTBFEOFUVWAVII-WDEREUQCSA-N 1 0 348.359 0.803 20 5 ECBDRO O=C1CNC(=O)N1CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440484378 210835039 /nfs/dbraw/zinc/83/50/39/210835039.db2.gz HOLWGOPTKPGQAV-SNVBAGLBSA-N 1 0 334.336 0.028 20 5 ECBDRO COc1ccc(S(=O)(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000184309056 533052772 /nfs/dbraw/zinc/05/27/72/533052772.db2.gz NRWALPIUJINBEC-WCQGTBRESA-N 1 0 341.389 0.961 20 5 ECBDRO Cn1c(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000428637149 210275369 /nfs/dbraw/zinc/27/53/69/210275369.db2.gz MLJQZIZSNLRIPS-GFCCVEGCSA-N 1 0 349.391 0.217 20 5 ECBDRO C[NH2+]CCCNC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418282992 208790305 /nfs/dbraw/zinc/79/03/05/208790305.db2.gz ZLWSYXIQLPYZDU-UHFFFAOYSA-N 1 0 349.391 0.672 20 5 ECBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418761777 208845397 /nfs/dbraw/zinc/84/53/97/208845397.db2.gz LRUCOPOACGFSSE-OAHLLOKOSA-N 1 0 335.408 0.682 20 5 ECBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000418712530 208839831 /nfs/dbraw/zinc/83/98/31/208839831.db2.gz XHOMUZRBVXPWAO-VXGBXAGGSA-N 1 0 349.391 0.798 20 5 ECBDRO [NH3+][C@H]1CCN(C(=O)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000418822415 208862320 /nfs/dbraw/zinc/86/23/20/208862320.db2.gz YDEIDFKZDGVSMQ-NSHDSACASA-N 1 0 340.767 0.467 20 5 ECBDRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000419158773 209005711 /nfs/dbraw/zinc/00/57/11/209005711.db2.gz YFQKCFQYBNNXFS-AUZPSNTRSA-N 1 0 346.387 0.968 20 5 ECBDRO COC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000496751349 255126527 /nfs/dbraw/zinc/12/65/27/255126527.db2.gz YNWCCQWEEGTWBO-MRVPVSSYSA-N 1 0 344.349 0.495 20 5 ECBDRO C[NH2+][C@H](C)CNC(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000419162771 209007783 /nfs/dbraw/zinc/00/77/83/209007783.db2.gz HXKKQXGSCLDNQN-MRVPVSSYSA-N 1 0 328.756 0.589 20 5 ECBDRO Cc1ccc([C@H](C)NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000419274516 209047701 /nfs/dbraw/zinc/04/77/01/209047701.db2.gz RRNJADAPFUKCCC-GXFFZTMASA-N 1 0 334.376 0.934 20 5 ECBDRO [NH3+]C[C@H]1CCN(C(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000419364427 209070455 /nfs/dbraw/zinc/07/04/55/209070455.db2.gz ZNSDRLMUTUFMCN-CQSZACIVSA-N 1 0 348.403 0.841 20 5 ECBDRO CO[C@H](C)[C@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000358060818 299679918 /nfs/dbraw/zinc/67/99/18/299679918.db2.gz LCEQZOQDUMJMQM-WDEREUQCSA-N 1 0 331.394 0.886 20 5 ECBDRO Cc1ccn(CC(=O)NC2CC[NH+](C3CC3)CC2)c(=O)c1[N+](=O)[O-] ZINC000129563189 296662396 /nfs/dbraw/zinc/66/23/96/296662396.db2.gz IZSAILFMVBOMMJ-UHFFFAOYSA-N 1 0 334.376 0.808 20 5 ECBDRO CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC[NH+](C)C ZINC000271346221 296752417 /nfs/dbraw/zinc/75/24/17/296752417.db2.gz DYYSKKBXGRSKSG-UHFFFAOYSA-N 1 0 332.382 0.750 20 5 ECBDRO COc1cc(C(=O)NC[C@@](C)(O)C[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000189721207 165014486 /nfs/dbraw/zinc/01/44/86/165014486.db2.gz CUULWUJTNVTONH-OAHLLOKOSA-N 1 0 325.365 0.954 20 5 ECBDRO O=C(CC[N@H+]1C[C@H](O)C[C@H]1CO)Nc1cc([N+](=O)[O-])ccc1F ZINC000249393556 165197794 /nfs/dbraw/zinc/19/77/94/165197794.db2.gz SHNIBQFDEYSXQO-WDEREUQCSA-N 1 0 327.312 0.490 20 5 ECBDRO O=C(CN1CCN([C@H]2CC[NH2+]C2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000261699899 165228994 /nfs/dbraw/zinc/22/89/94/165228994.db2.gz OODFMSFVOMYHJX-ZDUSSCGKSA-N 1 0 333.392 0.513 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000261834724 165249465 /nfs/dbraw/zinc/24/94/65/165249465.db2.gz IGCAGWNMUYCHTE-CYBMUJFWSA-N 1 0 340.405 0.263 20 5 ECBDRO COc1ccc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000261860237 165254038 /nfs/dbraw/zinc/25/40/38/165254038.db2.gz KJCVFRGBPRUARE-MNOVXSKESA-N 1 0 341.389 0.833 20 5 ECBDRO Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCC2C[NH2+]C2)ccc1[N+](=O)[O-] ZINC000261923651 165264001 /nfs/dbraw/zinc/26/40/01/165264001.db2.gz JLYJNORRPYSAIC-HNNXBMFYSA-N 1 0 346.387 0.843 20 5 ECBDRO COC(=O)COc1ccc(CN2CCO[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261992499 165272702 /nfs/dbraw/zinc/27/27/02/165272702.db2.gz SNCBWXZGQMALTR-GFCCVEGCSA-N 1 0 339.348 0.306 20 5 ECBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC[NH2+]1 ZINC000262779434 165387310 /nfs/dbraw/zinc/38/73/10/165387310.db2.gz BYLRNCONWKFYEZ-ONGXEEELSA-N 1 0 341.389 0.869 20 5 ECBDRO [NH3+]CCCCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262830758 165393521 /nfs/dbraw/zinc/39/35/21/165393521.db2.gz ZUKOBOBVXNGTLG-UHFFFAOYSA-N 1 0 331.350 0.383 20 5 ECBDRO C[C@@H]1C[C@@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000262842019 165393597 /nfs/dbraw/zinc/39/35/97/165393597.db2.gz JALUTSHZKPJEFN-MNOVXSKESA-N 1 0 348.359 0.577 20 5 ECBDRO C[NH2+]C[C@@H](C)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000237170342 263173336 /nfs/dbraw/zinc/17/33/36/263173336.db2.gz GCPHESGKMFZABV-SNVBAGLBSA-N 1 0 340.405 0.796 20 5 ECBDRO O=C(C[NH2+]C[C@@H]1CCCO1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000237891866 263175428 /nfs/dbraw/zinc/17/54/28/263175428.db2.gz KHHXGRCDYZFEKD-OCCSQVGLSA-N 1 0 349.391 0.771 20 5 ECBDRO COCCN(CC[NH+](C)C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272396827 263346530 /nfs/dbraw/zinc/34/65/30/263346530.db2.gz XRVRSSDLSTZGQY-UHFFFAOYSA-N 1 0 339.348 0.974 20 5 ECBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000274200776 263449274 /nfs/dbraw/zinc/44/92/74/263449274.db2.gz UBFUUZZRKPGIEP-QGZVFWFLSA-N 1 0 346.387 0.927 20 5 ECBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)CNc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000285105578 264278894 /nfs/dbraw/zinc/27/88/94/264278894.db2.gz UKTUWUSOQWGHBI-HUUCEWRRSA-N 1 0 334.376 0.938 20 5 ECBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000293445139 264882915 /nfs/dbraw/zinc/88/29/15/264882915.db2.gz PCOBFPITWHYFAR-UKRRQHHQSA-N 1 0 346.387 0.925 20 5 ECBDRO CCc1n[nH]c(C(=O)N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)c1[N+](=O)[O-] ZINC000294601367 265009786 /nfs/dbraw/zinc/00/97/86/265009786.db2.gz JDKDHLFYXKVADL-MWLCHTKSSA-N 1 0 325.369 0.407 20 5 ECBDRO C[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)N(C)C ZINC000298300998 265237668 /nfs/dbraw/zinc/23/76/68/265237668.db2.gz AUIJMXLEIJVDRQ-VIFPVBQESA-N 1 0 329.378 0.678 20 5 ECBDRO C[C@@H](C[NH3+])N(C)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262764744 277570636 /nfs/dbraw/zinc/57/06/36/277570636.db2.gz SWFWGZYZLFXWRZ-QMMMGPOBSA-N 1 0 331.350 0.334 20 5 ECBDRO O=C(NCC[N@@H+]1CCCOCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000189436521 437598352 /nfs/dbraw/zinc/59/83/52/437598352.db2.gz KXQLPXKRFZOVNZ-UHFFFAOYSA-N 1 0 333.348 0.923 20 5 ECBDRO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343533797 437599537 /nfs/dbraw/zinc/59/95/37/437599537.db2.gz HOOPQZFZKSDFGX-FRRDWIJNSA-N 1 0 335.360 0.687 20 5 ECBDRO C[C@@H](C[NH3+])NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000262487409 278250566 /nfs/dbraw/zinc/25/05/66/278250566.db2.gz VCDBVWAGUPIELE-LURJTMIESA-N 1 0 338.183 0.983 20 5 ECBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000332572247 297053680 /nfs/dbraw/zinc/05/36/80/297053680.db2.gz ZDNUGLHGWNTZBH-QWHCGFSZSA-N 1 0 348.407 0.962 20 5 ECBDRO CC(C)[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1(CO)CCC1 ZINC000339728768 297373969 /nfs/dbraw/zinc/37/39/69/297373969.db2.gz BCVSLHXJEBAIIF-KBPBESRZSA-N 1 0 326.397 0.929 20 5 ECBDRO CCCc1n[nH]c(C(=O)N[C@H]2CC[N@H+](CCOC)C2)c1[N+](=O)[O-] ZINC000346201678 298238127 /nfs/dbraw/zinc/23/81/27/298238127.db2.gz GJISPCWZWPYUDH-JTQLQIEISA-N 1 0 325.369 0.721 20 5 ECBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)C[NH+](C)C ZINC000346219035 298239645 /nfs/dbraw/zinc/23/96/45/298239645.db2.gz JMYAISCVLSFSNF-KOLCDFICSA-N 1 0 326.401 0.894 20 5 ECBDRO [NH3+]C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CCO1 ZINC000364159253 300330402 /nfs/dbraw/zinc/33/04/02/300330402.db2.gz FZVQKHKZYZAJSE-ZDUSSCGKSA-N 1 0 334.376 0.995 20 5 ECBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000366427693 300550238 /nfs/dbraw/zinc/55/02/38/300550238.db2.gz JCSMHOQWGHCBPU-JHJVBQTASA-N 1 0 337.380 0.501 20 5 ECBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000367899998 300637063 /nfs/dbraw/zinc/63/70/63/300637063.db2.gz DQSVARWYESEZQZ-OCCSQVGLSA-N 1 0 335.364 0.475 20 5 ECBDRO CN(C(=O)[C@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000369064912 300705138 /nfs/dbraw/zinc/70/51/38/300705138.db2.gz NSBFWZCZTGDFLS-UONOGXRCSA-N 1 0 338.408 0.197 20 5 ECBDRO 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ZINC000591360270 439009076 /nfs/dbraw/zinc/00/90/76/439009076.db2.gz GGZGMYHHSGMSQY-CYBMUJFWSA-N 1 0 348.407 0.964 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCCc2nnc3ccccn32)c1 ZINC000519598843 439043628 /nfs/dbraw/zinc/04/36/28/439043628.db2.gz SBZSHVUDBNNQQZ-ZDUSSCGKSA-N 1 0 345.363 0.417 20 5 ECBDRO O=C([C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2F)C1)N1CC[NH2+]CC1 ZINC000591425724 439012694 /nfs/dbraw/zinc/01/26/94/439012694.db2.gz SGWLYNNRUVTISS-LLVKDONJSA-N 1 0 337.355 0.777 20 5 ECBDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000591477948 439019137 /nfs/dbraw/zinc/01/91/37/439019137.db2.gz HXKMMDHAKXFRMV-ZDUSSCGKSA-N 1 0 343.405 0.984 20 5 ECBDRO C[C@H](NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000579573009 439020188 /nfs/dbraw/zinc/02/01/88/439020188.db2.gz ZJWCZMGPZADMEJ-RYUDHWBXSA-N 1 0 334.376 0.969 20 5 ECBDRO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000566203698 439022870 /nfs/dbraw/zinc/02/28/70/439022870.db2.gz 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COc1ccc(Cn2cc(CCN3CC[NH2+]CC3)nn2)cc1[N+](=O)[O-] ZINC000603206665 439208670 /nfs/dbraw/zinc/20/86/70/439208670.db2.gz TXYJKZZFXNZLPW-UHFFFAOYSA-N 1 0 346.391 0.691 20 5 ECBDRO C[C@H](CCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[NH+](C)C ZINC000598001004 439212058 /nfs/dbraw/zinc/21/20/58/439212058.db2.gz WWWCLXJLKNBJJE-SNVBAGLBSA-N 1 0 348.359 0.647 20 5 ECBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)c1C ZINC000592374275 439214238 /nfs/dbraw/zinc/21/42/38/439214238.db2.gz JTVFGLPHSYFPPI-AAEUAGOBSA-N 1 0 343.405 0.948 20 5 ECBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000592382800 439215259 /nfs/dbraw/zinc/21/52/59/439215259.db2.gz VYLISKANEINCJW-ZJUUUORDSA-N 1 0 329.378 0.961 20 5 ECBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2COCCO2)cc1 ZINC000581998155 439277091 /nfs/dbraw/zinc/27/70/91/439277091.db2.gz XRKKLNXGKQHRST-GFCCVEGCSA-N 1 0 330.362 0.374 20 5 ECBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000568409515 439245469 /nfs/dbraw/zinc/24/54/69/439245469.db2.gz KGOYHNQREMLLAZ-WXHSDQCUSA-N 1 0 349.391 0.896 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCOc2ccc(Cl)cn2)c1 ZINC000569332362 439322918 /nfs/dbraw/zinc/32/29/18/439322918.db2.gz NIDPBKXHWZMCRC-LBPRGKRZSA-N 1 0 341.755 0.869 20 5 ECBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)n1 ZINC000592875585 439295189 /nfs/dbraw/zinc/29/51/89/439295189.db2.gz ZHFVHPPMLCNUTR-SNVBAGLBSA-N 1 0 338.368 0.003 20 5 ECBDRO C[N@@H+]1C[C@@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)[C@H](c2ccccc2)C1 ZINC000592881623 439296482 /nfs/dbraw/zinc/29/64/82/439296482.db2.gz MSJZCKQBWCEXGO-KGLIPLIRSA-N 1 0 344.375 0.648 20 5 ECBDRO [NH3+]CC[C@@H](NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)C(F)F ZINC000598665254 439299618 /nfs/dbraw/zinc/29/96/18/439299618.db2.gz NYQMFJBXWJBCND-SNVBAGLBSA-N 1 0 345.306 0.815 20 5 ECBDRO C[NH2+]C[C@H]1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598664853 439300437 /nfs/dbraw/zinc/30/04/37/439300437.db2.gz ORUSLMPZDSHDDZ-LLVKDONJSA-N 1 0 335.364 0.784 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000599106385 439358869 /nfs/dbraw/zinc/35/88/69/439358869.db2.gz FZBRJOMPUHLEEG-QWRGUYRKSA-N 1 0 343.409 0.624 20 5 ECBDRO C[NH+](C)[C@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000582496779 439344237 /nfs/dbraw/zinc/34/42/37/439344237.db2.gz NSODQYIJINLTTA-STQMWFEESA-N 1 0 325.390 0.820 20 5 ECBDRO COc1cc(C[NH2+]CCN2CC[C@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000599019609 439346165 /nfs/dbraw/zinc/34/61/65/439346165.db2.gz SHUDCNDYXBINJC-LBPRGKRZSA-N 1 0 325.365 0.768 20 5 ECBDRO C[NH+](C)CCN1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1=O ZINC000593235381 439355628 /nfs/dbraw/zinc/35/56/28/439355628.db2.gz TYJNYYLKYRRIDJ-UHFFFAOYSA-N 1 0 326.378 0.502 20 5 ECBDRO COc1ccc(CC(=O)NCCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000582605105 439357024 /nfs/dbraw/zinc/35/70/24/439357024.db2.gz ZCSRJJOEBZWKPT-UHFFFAOYSA-N 1 0 336.392 0.557 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N(CC[NH3+])Cc2ccccc2)n1 ZINC000599099850 439357288 /nfs/dbraw/zinc/35/72/88/439357288.db2.gz FFIKMAXKTMJHHC-UHFFFAOYSA-N 1 0 339.377 0.478 20 5 ECBDRO [NH3+]CC1([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCOCC1 ZINC000599101367 439357293 /nfs/dbraw/zinc/35/72/93/439357293.db2.gz CXAKBFRGHDOQNF-UHFFFAOYSA-N 1 0 333.341 0.520 20 5 ECBDRO O=C(CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)NC1CCCCC1 ZINC000569919997 439373838 /nfs/dbraw/zinc/37/38/38/439373838.db2.gz BFHAOBXBWVRXMO-CQSZACIVSA-N 1 0 339.396 0.581 20 5 ECBDRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000599245126 439397617 /nfs/dbraw/zinc/39/76/17/439397617.db2.gz QJUXIWKXVZRZHR-UWVGGRQHSA-N 1 0 331.398 0.432 20 5 ECBDRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000599245129 439398115 /nfs/dbraw/zinc/39/81/15/439398115.db2.gz QJUXIWKXVZRZHR-ZJUUUORDSA-N 1 0 331.398 0.432 20 5 ECBDRO COc1cc(N2CCN(CC[NH+](C)C)C(=O)C2)c([N+](=O)[O-])cc1F ZINC000593486169 439387251 /nfs/dbraw/zinc/38/72/51/439387251.db2.gz OCMMXXFRRNZKBL-UHFFFAOYSA-N 1 0 340.355 0.953 20 5 ECBDRO CCc1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000570332056 439410604 /nfs/dbraw/zinc/41/06/04/439410604.db2.gz ZFQLEJJMDXIQGS-GFCCVEGCSA-N 1 0 343.405 0.814 20 5 ECBDRO C[NH+](C)[C@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[C@@H]1O ZINC000570368072 439414865 /nfs/dbraw/zinc/41/48/65/439414865.db2.gz SNHUNUJSYJULQM-GJZGRUSLSA-N 1 0 345.359 0.527 20 5 ECBDRO C[C@H]1CCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000570943835 439463228 /nfs/dbraw/zinc/46/32/28/439463228.db2.gz IQTFORUJWHHMOY-AAEUAGOBSA-N 1 0 334.376 0.654 20 5 ECBDRO C[C@H](NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000583576065 439484909 /nfs/dbraw/zinc/48/49/09/439484909.db2.gz BQXUVNFLVQBPFR-GDLCADMTSA-N 1 0 347.375 0.609 20 5 ECBDRO C[C@@H]1CN(CCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000583603191 439487371 /nfs/dbraw/zinc/48/73/71/439487371.db2.gz KHLDJMUSZHPRIF-VNHYZAJKSA-N 1 0 341.412 0.241 20 5 ECBDRO C[NH+](C)CC[C@@H](N)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000593902018 439489902 /nfs/dbraw/zinc/48/99/02/439489902.db2.gz MNNZWVLMXMHKOP-CYBMUJFWSA-N 1 0 335.408 0.522 20 5 ECBDRO CCO[C@@H]1CN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000593916931 439495014 /nfs/dbraw/zinc/49/50/14/439495014.db2.gz RRNZGJSHQWDCNK-IUODEOHRSA-N 1 0 337.376 0.968 20 5 ECBDRO Cc1cc(C(=O)NCC(=O)N2CC[C@H]([NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000593930409 439498292 /nfs/dbraw/zinc/49/82/92/439498292.db2.gz HNSBYYCCFUIFRR-YPMHNXCESA-N 1 0 334.376 0.971 20 5 ECBDRO CNC(=O)[C@H](C)[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000492433196 439537144 /nfs/dbraw/zinc/53/71/44/439537144.db2.gz ANYKJZPHOQPEBY-VIFPVBQESA-N 1 0 325.321 0.371 20 5 ECBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594393481 439554174 /nfs/dbraw/zinc/55/41/74/439554174.db2.gz ONYCGXFHWJJCJI-LSDHHAIUSA-N 1 0 344.371 0.827 20 5 ECBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594393457 439554468 /nfs/dbraw/zinc/55/44/68/439554468.db2.gz NMSTZGHHRQYXPD-QWHCGFSZSA-N 1 0 334.376 0.674 20 5 ECBDRO C[C@@H](CN1CCC[C@@H](C)C1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000583807490 439514468 /nfs/dbraw/zinc/51/44/68/439514468.db2.gz NMVZZVCPKFTFTB-VNHYZAJKSA-N 1 0 325.413 0.862 20 5 ECBDRO O=C(NC[C@@H]1COCC[NH2+]1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599896384 439572547 /nfs/dbraw/zinc/57/25/47/439572547.db2.gz AVDOUHKROHGUFW-MRVPVSSYSA-N 1 0 342.739 0.291 20 5 ECBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000594533189 439573099 /nfs/dbraw/zinc/57/30/99/439573099.db2.gz IXJDRGIQFBWVRF-VIFPVBQESA-N 1 0 334.254 0.848 20 5 ECBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000599938603 439581760 /nfs/dbraw/zinc/58/17/60/439581760.db2.gz QMCDZRXWUOIZFN-STQMWFEESA-N 1 0 335.360 0.885 20 5 ECBDRO CCNC(=O)C[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000609766500 439587591 /nfs/dbraw/zinc/58/75/91/439587591.db2.gz YJASRHNGHPZFEM-UHFFFAOYSA-N 1 0 336.348 0.961 20 5 ECBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CNC(=O)Nc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000599992053 439591571 /nfs/dbraw/zinc/59/15/71/439591571.db2.gz QMKDLTQZRRBBDP-NHAGDIPZSA-N 1 0 347.375 0.735 20 5 ECBDRO [NH3+][C@@H]1C[C@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc43)CCN2C1=O ZINC000594694848 439591573 /nfs/dbraw/zinc/59/15/73/439591573.db2.gz WEVKCAAZWCNOAB-CMPLNLGQSA-N 1 0 328.332 0.286 20 5 ECBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000584530065 439596307 /nfs/dbraw/zinc/59/63/07/439596307.db2.gz KGLTVKZFBNEXOV-RYUDHWBXSA-N 1 0 336.392 0.838 20 5 ECBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC000594967379 439644796 /nfs/dbraw/zinc/64/47/96/439644796.db2.gz XWFIQBJZMGELPY-OCCSQVGLSA-N 1 0 344.389 0.895 20 5 ECBDRO CC1([NH+]2CCOCC2)CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000600411011 439654789 /nfs/dbraw/zinc/65/47/89/439654789.db2.gz QENRBZFMHZCWOM-UHFFFAOYSA-N 1 0 349.391 0.899 20 5 ECBDRO CN1C(=O)c2ccccc2[C@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000600753413 439699597 /nfs/dbraw/zinc/69/95/97/439699597.db2.gz AWMFOGMWJNXVTP-SWLSCSKDSA-N 1 0 345.359 0.569 20 5 ECBDRO CCN(CC[NH3+])C(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000600798272 439703942 /nfs/dbraw/zinc/70/39/42/439703942.db2.gz UDLGMPXWMOZDDH-UHFFFAOYSA-N 1 0 334.376 0.893 20 5 ECBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000600808435 439704258 /nfs/dbraw/zinc/70/42/58/439704258.db2.gz OMTMEBKHZYGYAW-ZDUSSCGKSA-N 1 0 345.359 0.781 20 5 ECBDRO C[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000611572442 439706711 /nfs/dbraw/zinc/70/67/11/439706711.db2.gz ARWMPDDJICBGRY-VXGBXAGGSA-N 1 0 336.396 0.956 20 5 ECBDRO C[C@H](CN1CCCC1=O)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000574552261 439712269 /nfs/dbraw/zinc/71/22/69/439712269.db2.gz YSZBRMZAIYQCGG-OLZOCXBDSA-N 1 0 337.376 0.935 20 5 ECBDRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)n1 ZINC000595264099 439685761 /nfs/dbraw/zinc/68/57/61/439685761.db2.gz IRQUOVWSQKZSRT-UHFFFAOYSA-N 1 0 346.347 0.591 20 5 ECBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)n1 ZINC000611335003 439691973 /nfs/dbraw/zinc/69/19/73/439691973.db2.gz XPOFVDXUKMVRSO-GFCCVEGCSA-N 1 0 336.396 0.180 20 5 ECBDRO O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000289846654 320673555 /nfs/dbraw/zinc/67/35/55/320673555.db2.gz CAANLBRJJOKKNM-CHWSQXEVSA-N 1 0 342.359 0.857 20 5 ECBDRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000330571603 320839503 /nfs/dbraw/zinc/83/95/03/320839503.db2.gz JLQCSOBKNLHAGS-UHFFFAOYSA-N 1 0 337.380 0.549 20 5 ECBDRO C[C@H](C[NH3+])NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 ZINC000347661743 321247434 /nfs/dbraw/zinc/24/74/34/321247434.db2.gz UVPFOADDPDAMIR-MRVPVSSYSA-N 1 0 336.377 0.952 20 5 ECBDRO C[NH+](C)CCOC1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000351901192 321339856 /nfs/dbraw/zinc/33/98/56/321339856.db2.gz XMJIURAQFQIYJR-UHFFFAOYSA-N 1 0 325.369 0.361 20 5 ECBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352519488 321363066 /nfs/dbraw/zinc/36/30/66/321363066.db2.gz OZPINFLJOUWGOU-XJKSGUPXSA-N 1 0 347.419 0.901 20 5 ECBDRO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000360755952 321612237 /nfs/dbraw/zinc/61/22/37/321612237.db2.gz SBBGNEFKMSZXGF-NSHDSACASA-N 1 0 339.396 0.493 20 5 ECBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCOC3(CCOCC3)CC2)c1 ZINC000545276766 322108491 /nfs/dbraw/zinc/10/84/91/322108491.db2.gz GCTRAISAXXYRNX-AWEZNQCLSA-N 1 0 340.380 0.424 20 5 ECBDRO CO[C@]1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000564445247 322374887 /nfs/dbraw/zinc/37/48/87/322374887.db2.gz ASIIHHUKSUBBIY-ZFWWWQNUSA-N 1 0 326.349 0.730 20 5 ECBDRO 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COc1cc(OCC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000574216635 322775498 /nfs/dbraw/zinc/77/54/98/322775498.db2.gz LKFXGMDDXUNDFQ-STQMWFEESA-N 1 0 339.348 0.116 20 5 ECBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000184069180 534319761 /nfs/dbraw/zinc/31/97/61/534319761.db2.gz WLRWALHFOXMBJO-UHFFFAOYSA-N 1 0 337.376 0.886 20 5 ECBDRO CC[NH+]1CCN(CCCNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000184260232 529144281 /nfs/dbraw/zinc/14/42/81/529144281.db2.gz GDMDROPMQXFWGH-UHFFFAOYSA-N 1 0 335.408 0.934 20 5 ECBDRO COc1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000619874127 546376173 /nfs/dbraw/zinc/37/61/73/546376173.db2.gz ZFABOZBMLOBLML-CYBMUJFWSA-N 1 0 334.376 0.723 20 5 ECBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000619871641 546376217 /nfs/dbraw/zinc/37/62/17/546376217.db2.gz RCRSYUZDYBUMMO-CYBMUJFWSA-N 1 0 337.380 0.505 20 5 ECBDRO COCC[N@@H+]1CC[C@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000730790493 578308980 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WBRIDBCFMLNGTD-CYBMUJFWSA-N 1 0 326.353 0.428 20 5 ECBDRO Cn1ncc([N+](=O)[O-])c1N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000895167025 586167669 /nfs/dbraw/zinc/16/76/69/586167669.db2.gz TXRVMGUDVJEYEK-CYBMUJFWSA-N 1 0 338.412 0.537 20 5 ECBDRO C[C@@H]1CN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[NH2+]1 ZINC000842473683 589031770 /nfs/dbraw/zinc/03/17/70/589031770.db2.gz WITQYQPOSQLPMK-CQSZACIVSA-N 1 0 347.419 0.537 20 5 ECBDRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000842744372 589034811 /nfs/dbraw/zinc/03/48/11/589034811.db2.gz RGVZMZVJHNWQFW-GZMMTYOYSA-N 1 0 349.796 0.985 20 5 ECBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2(OCCO)CCOCC2)c1 ZINC000843098701 589050590 /nfs/dbraw/zinc/05/05/90/589050590.db2.gz BGMIKSTUKJDWSA-OAHLLOKOSA-N 1 0 340.376 0.776 20 5 ECBDRO [NH3+]C[C@H]1CCCN1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000843352687 589063406 /nfs/dbraw/zinc/06/34/06/589063406.db2.gz SCZCWQWCZXHEPE-MRXNPFEDSA-N 1 0 347.419 0.667 20 5 ECBDRO 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COCC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)C[C@H]1C ZINC000826159883 588002728 /nfs/dbraw/zinc/00/27/28/588002728.db2.gz WJYMDMRKJQMNED-LLVKDONJSA-N 1 0 347.379 0.932 20 5 ECBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CCC([NH2+]CCO)CC1 ZINC000826497764 588064107 /nfs/dbraw/zinc/06/41/07/588064107.db2.gz TWHFRXHVWBAWTJ-UHFFFAOYSA-N 1 0 333.352 0.326 20 5 ECBDRO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000826799433 588084023 /nfs/dbraw/zinc/08/40/23/588084023.db2.gz HMLRJZAWMAZPTO-INIZCTEOSA-N 1 0 349.387 0.951 20 5 ECBDRO [NH3+]CCn1cc(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)nn1 ZINC000854140081 589572546 /nfs/dbraw/zinc/57/25/46/589572546.db2.gz XYVRBBQAQPYFDG-UHFFFAOYSA-N 1 0 344.335 0.850 20 5 ECBDRO Cn1nccc1[C@H](O)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000856800478 589676083 /nfs/dbraw/zinc/67/60/83/589676083.db2.gz ZDPYEPHQYDXCID-OAHLLOKOSA-N 1 0 334.380 0.970 20 5 ECBDRO O=C1COC[C@]2(C[NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])COCCN12 ZINC000866552493 589750223 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DIWRIIIMVIZYIL-HNNXBMFYSA-N 1 0 340.380 0.353 20 5 ECBDRO CON(C)C(=O)C1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000878635568 590532276 /nfs/dbraw/zinc/53/22/76/590532276.db2.gz YRJFJGUNVNGSPI-UHFFFAOYSA-N 1 0 325.369 0.832 20 5 ECBDRO CC(C)(C)[N@H+](CCS(C)(=O)=O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000131547013 590613305 /nfs/dbraw/zinc/61/33/05/590613305.db2.gz IFUCBNJTHHKPJH-GFCCVEGCSA-N 1 0 348.425 0.297 20 5 ECBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000886593563 590863351 /nfs/dbraw/zinc/86/33/51/590863351.db2.gz UMYUCMSIRLTKKM-CQSZACIVSA-N 1 0 336.392 0.945 20 5 ECBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000934262605 608805069 /nfs/dbraw/zinc/80/50/69/608805069.db2.gz LHSQOXKXBVKODK-CABCVRRESA-N 1 0 336.392 0.288 20 5 ECBDRO C[NH+]1C[C@@]2(C)CN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C[C@]2(C)C1 ZINC000913288971 609661726 /nfs/dbraw/zinc/66/17/26/609661726.db2.gz RGCSBGXBJLMGKH-HOTGVXAUSA-N 1 0 334.376 0.557 20 5 ECBDRO C[NH+](C)CC1(O)CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000913682999 609810458 /nfs/dbraw/zinc/81/04/58/609810458.db2.gz HUMYXKNZMUVLCK-UHFFFAOYSA-N 1 0 337.376 0.889 20 5 ECBDRO CN(C)c1cc(F)c(C(=O)N2CCN(C)C[C@H]2CO)cc1[N+](=O)[O-] ZINC000912738497 609995542 /nfs/dbraw/zinc/99/55/42/609995542.db2.gz HCFDPDGYNDAGHV-JTQLQIEISA-N 1 0 340.355 0.548 20 5 ECBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[NH2+][C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000923522146 611254546 /nfs/dbraw/zinc/25/45/46/611254546.db2.gz IBTUSNSVCLMPOB-YPMHNXCESA-N 1 0 345.808 0.819 20 5 ECBDRO Nc1ccc(C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1[N+](=O)[O-] ZINC000842512054 611314350 /nfs/dbraw/zinc/31/43/50/611314350.db2.gz ZYJSYUZHXGSYHE-GFCCVEGCSA-N 1 0 345.363 0.705 20 5 ECBDRO