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O=C(Cc1nnc[nH]1)N[C@H]1C[C@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC001068525647 790476803 /nfs/dbraw/zinc/47/68/03/790476803.db2.gz LCGPZPMOCVXDBJ-MGCOHNPYSA-N 0 1 331.336 0.657 20 5 ECBDMN CCN(C(=O)C1(COC)CC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001080087782 777365854 /nfs/dbraw/zinc/36/58/54/777365854.db2.gz PZKBQQPQIZZSCT-VXGBXAGGSA-N 0 1 325.365 0.138 20 5 ECBDMN CCN(C(=O)C1(CF)CCC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001080578279 778082573 /nfs/dbraw/zinc/08/25/73/778082573.db2.gz GCVONOISRMJSER-VXGBXAGGSA-N 0 1 327.356 0.851 20 5 ECBDMN Cc1nn(C)c(Cl)c1CN1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042705045 780666831 /nfs/dbraw/zinc/66/68/31/780666831.db2.gz IMJDNRMMUIOQIX-ZYHUDNBSSA-N 0 1 341.799 0.690 20 5 ECBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CC(=O)NC2CCCCC2)C1 ZINC001042705653 780668309 /nfs/dbraw/zinc/66/83/09/780668309.db2.gz WKOURQKFKHSNKF-ZIAGYGMSSA-N 0 1 338.408 0.243 20 5 ECBDMN Cc1ccc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(C)c1 ZINC001042978601 781128986 /nfs/dbraw/zinc/12/89/86/781128986.db2.gz PILZYYZBVVELJZ-ZIAGYGMSSA-N 0 1 347.371 0.272 20 5 ECBDMN C/C=C(\C)C(=O)NCC1(O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001074583935 787326523 /nfs/dbraw/zinc/32/65/23/787326523.db2.gz UPENBRUIVWJBQS-IPANGIIDSA-N 0 1 325.365 0.088 20 5 ECBDMN CC1(CC(=O)NCC2(O)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001074584659 787328671 /nfs/dbraw/zinc/32/86/71/787328671.db2.gz RGEDPENEVGHQRR-VXGBXAGGSA-N 0 1 339.392 0.312 20 5 ECBDMN O=C(CCC(F)F)N1CCC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001074642114 787482249 /nfs/dbraw/zinc/48/22/49/787482249.db2.gz GZMLQUNYLVXIMP-NXEZZACHSA-N 0 1 349.334 0.167 20 5 ECBDMN CCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(=O)CCCOC)CC1 ZINC001069204627 789656634 /nfs/dbraw/zinc/65/66/34/789656634.db2.gz TVNBKXQUBQSIIV-CHWSQXEVSA-N 0 1 341.408 0.966 20 5 ECBDMN CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cncs1 ZINC001066946911 792443842 /nfs/dbraw/zinc/44/38/42/792443842.db2.gz FJTMOLSAQHYQTQ-NXEZZACHSA-N 0 1 326.378 0.729 20 5 ECBDMN CCc1nc[nH]c1C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001067388851 793075570 /nfs/dbraw/zinc/07/55/70/793075570.db2.gz MUCFGJOTOZYZPU-ZYHUDNBSSA-N 0 1 337.380 0.558 20 5 ECBDMN CN(CCNCc1nnc(C2CC2)n1C1CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001266696511 836159256 /nfs/dbraw/zinc/15/92/56/836159256.db2.gz KWFNNLGPIORENV-CHWSQXEVSA-N 0 1 348.407 0.704 20 5 ECBDMN NC(=O)NCCC(=O)N[C@@H]1[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001266905023 836463095 /nfs/dbraw/zinc/46/30/95/836463095.db2.gz WQISFKFZDHJTKT-NHAGDIPZSA-N 0 1 347.375 0.200 20 5 ECBDMN COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000354616265 299076343 /nfs/dbraw/zinc/07/63/43/299076343.db2.gz DFSGMARZKKVAPR-SNVBAGLBSA-N 0 1 333.304 0.414 20 5 ECBDMN CN1C(=O)CC[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1=O ZINC000425084742 210000476 /nfs/dbraw/zinc/00/04/76/210000476.db2.gz JMJFEXNRDWJGFG-JTQLQIEISA-N 0 1 331.288 0.348 20 5 ECBDMN CCn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@@H]3CCN(CC)C[C@@H]32)n1 ZINC000355376391 299245703 /nfs/dbraw/zinc/24/57/03/299245703.db2.gz XQFBIJIUTIZSNP-WCQYABFASA-N 0 1 337.380 0.746 20 5 ECBDMN COc1ccc(S(=O)(=O)NCCc2nc[nH]n2)c([N+](=O)[O-])c1 ZINC000267562273 201222859 /nfs/dbraw/zinc/22/28/59/201222859.db2.gz KJQCZEGUTCCHNV-UHFFFAOYSA-N 0 1 327.322 0.243 20 5 ECBDMN COc1ccc(S(=O)(=O)N[C@H](C)c2nnc[nH]2)c([N+](=O)[O-])c1 ZINC000271185007 201243326 /nfs/dbraw/zinc/24/33/26/201243326.db2.gz ZJQFXEXIFZCCAQ-SSDOTTSWSA-N 0 1 327.322 0.761 20 5 ECBDMN O=C(CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])NCC(F)F ZINC000280849285 201325000 /nfs/dbraw/zinc/32/50/00/201325000.db2.gz CSRSZYFFVHNJDO-UHFFFAOYSA-N 0 1 341.267 0.394 20 5 ECBDMN Cc1cc(=O)c(C(=O)NCCN(C)C)nn1-c1ccccc1[N+](=O)[O-] ZINC000109069444 204275539 /nfs/dbraw/zinc/27/55/39/204275539.db2.gz OJOQHIVEYOWIDS-UHFFFAOYSA-N 0 1 345.359 0.741 20 5 ECBDMN CC[C@H](CO)N1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000131648059 205297917 /nfs/dbraw/zinc/29/79/17/205297917.db2.gz WHTGLJNNEHPDPM-GFCCVEGCSA-N 0 1 325.369 0.097 20 5 ECBDMN C[C@H](CS(C)(=O)=O)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000265030652 247147249 /nfs/dbraw/zinc/14/72/49/247147249.db2.gz ZYVFESFEZGMXEX-SSDOTTSWSA-N 0 1 326.334 0.634 20 5 ECBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCN2C(=O)NC[C@@H]2C1 ZINC000177515832 207346534 /nfs/dbraw/zinc/34/65/34/207346534.db2.gz ITNIKFODGIOHAB-SECBINFHSA-N 0 1 330.304 0.321 20 5 ECBDMN CN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000496477691 255103246 /nfs/dbraw/zinc/10/32/46/255103246.db2.gz IDLYWYKDDXZHFN-IJLUTSLNSA-N 0 1 342.396 0.319 20 5 ECBDMN NC(=O)c1ccc(CN2CC[C@@H](CN3CCOC3=O)C2)c([N+](=O)[O-])c1 ZINC000496513757 255106758 /nfs/dbraw/zinc/10/67/58/255106758.db2.gz PIXOQKZCQGEHOI-LLVKDONJSA-N 0 1 348.359 0.968 20 5 ECBDMN Cc1nc(CN2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)n[nH]1 ZINC000118682763 221169973 /nfs/dbraw/zinc/16/99/73/221169973.db2.gz OATCRRJGGJYGHJ-UHFFFAOYSA-N 0 1 344.375 0.908 20 5 ECBDMN COC(=O)c1ccnc(N2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC000377966914 135576556 /nfs/dbraw/zinc/57/65/56/135576556.db2.gz YXOXMXSYEATWBQ-OLZOCXBDSA-N 0 1 348.359 0.618 20 5 ECBDMN Cc1n[nH]c(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000299440549 296863671 /nfs/dbraw/zinc/86/36/71/296863671.db2.gz JYNIDYLXCWHKAI-NXEZZACHSA-N 0 1 325.369 0.855 20 5 ECBDMN O=C(NCCc1nc[nH]n1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000272774803 263371950 /nfs/dbraw/zinc/37/19/50/263371950.db2.gz HVDMONCZXAZBSH-GFCCVEGCSA-N 0 1 330.304 0.565 20 5 ECBDMN CCCCN(CC(N)=O)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272975267 263383854 /nfs/dbraw/zinc/38/38/54/263383854.db2.gz CENWBOPAEMMDFK-LBPRGKRZSA-N 0 1 325.365 0.922 20 5 ECBDMN C[NH+]1CCN(C(=O)CCNC(=O)c2cccc([O-])c2[N+](=O)[O-])CC1 ZINC000280923620 263954020 /nfs/dbraw/zinc/95/40/20/263954020.db2.gz JTDJBOPQIVBIJO-UHFFFAOYSA-N 0 1 336.348 0.194 20 5 ECBDMN CS(=O)(=O)[C@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000282389486 264039553 /nfs/dbraw/zinc/03/95/53/264039553.db2.gz GZWYONKBAOJZMK-VIFPVBQESA-N 0 1 338.345 0.730 20 5 ECBDMN Cc1nc([C@H](C)Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])n[nH]1 ZINC000286263673 264383814 /nfs/dbraw/zinc/38/38/14/264383814.db2.gz FGCNDJMLYTUDEH-LURJTMIESA-N 0 1 326.338 0.842 20 5 ECBDMN CNC(=O)C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000298440231 265254017 /nfs/dbraw/zinc/25/40/17/265254017.db2.gz QFOBIANHDJOFDQ-UHFFFAOYSA-N 0 1 336.348 0.241 20 5 ECBDMN C[C@@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000420602625 274360511 /nfs/dbraw/zinc/36/05/11/274360511.db2.gz BODKOWKMTDVESO-LLVKDONJSA-N 0 1 336.392 0.975 20 5 ECBDMN CCn1cc(S(=O)(=O)[N-]C[C@H](C)C[NH+]2CCCC2)c([N+](=O)[O-])n1 ZINC000339042544 297316236 /nfs/dbraw/zinc/31/62/36/297316236.db2.gz SZAIABLRXBDTCW-NSHDSACASA-N 0 1 345.425 0.821 20 5 ECBDMN O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCc2[nH]nnc2C1 ZINC000346004504 298211382 /nfs/dbraw/zinc/21/13/82/298211382.db2.gz DILZCCXHYNIUSX-UHFFFAOYSA-N 0 1 340.303 0.492 20 5 ECBDMN COc1cccc(N2C[C@@H](NC(=O)c3n[nH]cc3[N+](=O)[O-])CC2=O)c1 ZINC000362398467 300188813 /nfs/dbraw/zinc/18/88/13/300188813.db2.gz XOQWIUVWRCPETB-VIFPVBQESA-N 0 1 345.315 0.862 20 5 ECBDMN CN1C[C@H]2CN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000362666985 300208652 /nfs/dbraw/zinc/20/86/52/300208652.db2.gz QWKCAPYSGFXOLA-QWRGUYRKSA-N 0 1 325.390 0.996 20 5 ECBDMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000186967099 300243558 /nfs/dbraw/zinc/24/35/58/300243558.db2.gz YNWLLLFDGAPJPQ-LBPRGKRZSA-N 0 1 339.396 0.485 20 5 ECBDMN Cc1nc(CN(C)[C@@H]2CCCN(C(=O)[C@H]3CC3[N+](=O)[O-])CC2)no1 ZINC000364693673 300378647 /nfs/dbraw/zinc/37/86/47/300378647.db2.gz DTASBJXBIBEOLE-FRRDWIJNSA-N 0 1 337.380 0.856 20 5 ECBDMN COCCCN1CCCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000376805511 301294323 /nfs/dbraw/zinc/29/43/23/301294323.db2.gz VWPCVDLAYHKRSW-UHFFFAOYSA-N 0 1 325.369 0.513 20 5 ECBDMN CC(C)n1nc2c(cc1=O)CN(CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000377966595 301396704 /nfs/dbraw/zinc/39/67/04/301396704.db2.gz QRAGMXGAVREGOU-UHFFFAOYSA-N 0 1 332.364 0.987 20 5 ECBDMN Cc1[nH]ncc1CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000051381051 436489318 /nfs/dbraw/zinc/48/93/18/436489318.db2.gz GRJNIGNFUAGMQE-UHFFFAOYSA-N 0 1 338.345 0.960 20 5 ECBDMN C[C@@H](CN1CCN(C)CC1)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000106895165 436604845 /nfs/dbraw/zinc/60/48/45/436604845.db2.gz JNSFQBASTLAWAC-JTQLQIEISA-N 0 1 348.450 0.571 20 5 ECBDMN CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000543738551 302217946 /nfs/dbraw/zinc/21/79/46/302217946.db2.gz RIVVPSQTYCPEPW-GFCCVEGCSA-N 0 1 343.361 0.454 20 5 ECBDMN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCc1nnc[nH]1 ZINC000143243133 436674904 /nfs/dbraw/zinc/67/49/04/436674904.db2.gz FKMOJSVDUXTENW-UHFFFAOYSA-N 0 1 346.303 0.717 20 5 ECBDMN C[C@@H](CN(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1nn[nH]n1 ZINC000273593008 436768963 /nfs/dbraw/zinc/76/89/63/436768963.db2.gz UNOPMOJWJJARFD-ZETCQYMHSA-N 0 1 330.308 0.860 20 5 ECBDMN O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000155528308 436797509 /nfs/dbraw/zinc/79/75/09/436797509.db2.gz WDHFVDQEEASGGT-SNVBAGLBSA-N 0 1 332.320 0.893 20 5 ECBDMN CN1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000274650771 436854626 /nfs/dbraw/zinc/85/46/26/436854626.db2.gz FAFWRYLMVFVULV-UHFFFAOYSA-N 0 1 334.376 0.877 20 5 ECBDMN COC(=O)[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc2c(c1)CCO2 ZINC000274503039 436834978 /nfs/dbraw/zinc/83/49/78/436834978.db2.gz FNLSPHRZYIZQLG-GFCCVEGCSA-N 0 1 346.299 0.897 20 5 ECBDMN CN(C)CCNS(=O)(=O)c1ccc(NCCF)c([N+](=O)[O-])c1 ZINC000280705530 436914922 /nfs/dbraw/zinc/91/49/22/436914922.db2.gz HFVKVPWSYCETTA-UHFFFAOYSA-N 0 1 334.373 0.816 20 5 ECBDMN O=c1cc2c(n[nH]1)CCN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000274866318 436883871 /nfs/dbraw/zinc/88/38/71/436883871.db2.gz JIRGYJSXHRJGOC-CYBMUJFWSA-N 0 1 346.343 0.476 20 5 ECBDMN O=C(NC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])[n-]2)C1)[C@H]1CCC[NH2+]1 ZINC000262145833 436910553 /nfs/dbraw/zinc/91/05/53/436910553.db2.gz FKOINGVUNLGIPB-VXGBXAGGSA-N 0 1 349.391 0.643 20 5 ECBDMN CCN1CCN([C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000170950203 436962270 /nfs/dbraw/zinc/96/22/70/436962270.db2.gz VZIMJXGQDIDBFB-CYBMUJFWSA-N 0 1 336.396 0.030 20 5 ECBDMN CCc1[nH]nc(C(=O)N(C)[C@@H](C)CS(=O)(=O)CC)c1[N+](=O)[O-] ZINC000275187920 436936636 /nfs/dbraw/zinc/93/66/36/436936636.db2.gz ZBYCJRUPSVUIEM-QMMMGPOBSA-N 0 1 332.382 0.776 20 5 ECBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(C[C@H](C)O)C[C@@H]1C ZINC000275196304 436938665 /nfs/dbraw/zinc/93/86/65/436938665.db2.gz GQWBCUHKDXGJLF-QWRGUYRKSA-N 0 1 325.369 0.013 20 5 ECBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000275231309 436944528 /nfs/dbraw/zinc/94/45/28/436944528.db2.gz JISVWIAROZKBDR-SSDOTTSWSA-N 0 1 349.269 0.767 20 5 ECBDMN CNC(=O)[C@@]1(C)CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000281077600 436945172 /nfs/dbraw/zinc/94/51/72/436945172.db2.gz LCVZBJCTXASXGY-KRWDZBQOSA-N 0 1 346.387 0.942 20 5 ECBDMN COc1ccc(C(=O)N[C@@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000264482785 437036185 /nfs/dbraw/zinc/03/61/85/437036185.db2.gz WPEGLTMKQBBNNU-LBPRGKRZSA-N 0 1 336.392 0.969 20 5 ECBDMN COCCN1CC[C@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000264627352 437056112 /nfs/dbraw/zinc/05/61/12/437056112.db2.gz SWBZGVKEBQYBAD-JTQLQIEISA-N 0 1 344.393 0.375 20 5 ECBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC000284691800 437062355 /nfs/dbraw/zinc/06/23/55/437062355.db2.gz JCIHZXZUYYASPN-RYUDHWBXSA-N 0 1 337.380 0.816 20 5 ECBDMN CCc1[nH]nc(C(=O)N2CCS(=O)(=O)[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000265506594 437142115 /nfs/dbraw/zinc/14/21/15/437142115.db2.gz FDHONGXEPBBRMK-JGVFFNPUSA-N 0 1 330.366 0.528 20 5 ECBDMN CCCc1[nH]nc(C(=O)N2CCC[C@@H](CNC(N)=O)C2)c1[N+](=O)[O-] ZINC000265695380 437177004 /nfs/dbraw/zinc/17/70/04/437177004.db2.gz ZVGAWTQRLRKMSS-VIFPVBQESA-N 0 1 338.368 0.791 20 5 ECBDMN Cc1ccc(CNCCNS(=O)(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000277120146 437193955 /nfs/dbraw/zinc/19/39/55/437193955.db2.gz YPQSECYZOZQMNE-UHFFFAOYSA-N 0 1 330.410 0.825 20 5 ECBDMN Cc1nn(C)c(C(=O)N2CCN(C[C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000332084459 437205635 /nfs/dbraw/zinc/20/56/35/437205635.db2.gz DQUXBCSSEOXQBI-GFCCVEGCSA-N 0 1 337.380 0.431 20 5 ECBDMN CCc1[nH]nc(C(=O)N2CCN(Cc3nccn3C)CC2)c1[N+](=O)[O-] ZINC000332089391 437207762 /nfs/dbraw/zinc/20/77/62/437207762.db2.gz KJXJKNCRUZWOOO-UHFFFAOYSA-N 0 1 347.379 0.572 20 5 ECBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)c1[N+](=O)[O-] ZINC000265644270 437168502 /nfs/dbraw/zinc/16/85/02/437168502.db2.gz VTHYXDDOQFEWQW-MRVPVSSYSA-N 0 1 345.381 0.021 20 5 ECBDMN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1nnc[nH]1 ZINC000266782107 437241608 /nfs/dbraw/zinc/24/16/08/437241608.db2.gz TXCUEPALMKLRRT-IUCAKERBSA-N 0 1 332.320 0.709 20 5 ECBDMN C[C@@H](NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc[nH]1 ZINC000266782099 437241870 /nfs/dbraw/zinc/24/18/70/437241870.db2.gz TXCUEPALMKLRRT-BDAKNGLRSA-N 0 1 332.320 0.709 20 5 ECBDMN O=C(NC[C@@H]1CN2CCN1CC2)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000178975619 437246539 /nfs/dbraw/zinc/24/65/39/437246539.db2.gz DCRKDZFLULAJPJ-LLVKDONJSA-N 0 1 330.348 0.201 20 5 ECBDMN COC(=O)C[C@H](C)N1CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000266971080 437272954 /nfs/dbraw/zinc/27/29/54/437272954.db2.gz WTVUXRNEQWLACW-VIFPVBQESA-N 0 1 339.352 0.336 20 5 ECBDMN CS(=O)(=O)NC[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000267085687 437286697 /nfs/dbraw/zinc/28/66/97/437286697.db2.gz OKFFMEIOCXYVMU-NSHDSACASA-N 0 1 331.398 0.053 20 5 ECBDMN O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000267933517 437344304 /nfs/dbraw/zinc/34/43/04/437344304.db2.gz FUSADAJHNBQKRW-LLVKDONJSA-N 0 1 336.348 0.490 20 5 ECBDMN CCc1[nH]nc(C(=O)N2C[C@H](C)S(=O)(=O)[C@@H](CC)C2)c1[N+](=O)[O-] ZINC000288804947 437357189 /nfs/dbraw/zinc/35/71/89/437357189.db2.gz UBYYDPMZEPLNAX-IUCAKERBSA-N 0 1 344.393 0.918 20 5 ECBDMN CS(=O)(=O)c1ccc(F)c(CNC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000337645857 437374167 /nfs/dbraw/zinc/37/41/67/437374167.db2.gz IYRVMKWEEKIOJC-UHFFFAOYSA-N 0 1 342.308 0.791 20 5 ECBDMN CCn1cc(S(=O)(=O)N(C)C[C@@H]2CCCN2CC)c([N+](=O)[O-])n1 ZINC000330458002 437517834 /nfs/dbraw/zinc/51/78/34/437517834.db2.gz REDNQDTUJUZTFS-NSHDSACASA-N 0 1 345.425 0.916 20 5 ECBDMN CCNS(=O)(=O)[C@H]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330462999 437519018 /nfs/dbraw/zinc/51/90/18/437519018.db2.gz ZERNWHQGMDNCPD-LBPRGKRZSA-N 0 1 329.378 0.814 20 5 ECBDMN O=C(Nc1nc(SCCO)n[nH]1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000343857082 437672626 /nfs/dbraw/zinc/67/26/26/437672626.db2.gz ZZQHHUCWVSIXOW-UHFFFAOYSA-N 0 1 326.294 0.150 20 5 ECBDMN COC(=O)[C@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])OC ZINC000291878568 437636965 /nfs/dbraw/zinc/63/69/65/437636965.db2.gz GTYZGGSXVKPPKH-VIFPVBQESA-N 0 1 336.297 0.200 20 5 ECBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](O)[C@H]([N@@H+](C)CC(=O)[O-])C2)c1 ZINC000343974344 437712145 /nfs/dbraw/zinc/71/21/45/437712145.db2.gz GDGNVSYIQRWLIW-CHWSQXEVSA-N 0 1 337.332 0.105 20 5 ECBDMN CN(C)c1ncc(CN(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000356196558 437753819 /nfs/dbraw/zinc/75/38/19/437753819.db2.gz BXKZPBQAIQSYDJ-ZDUSSCGKSA-N 0 1 335.368 0.140 20 5 ECBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN[C@@H](C)C1 ZINC000415421512 437799904 /nfs/dbraw/zinc/79/99/04/437799904.db2.gz YHLUGAQWSSXBIT-JTQLQIEISA-N 0 1 336.348 0.752 20 5 ECBDMN O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1CCC[C@H]1N1CCOCC1 ZINC000370772018 437836777 /nfs/dbraw/zinc/83/67/77/437836777.db2.gz JOUXQVYAKORZGE-CHWSQXEVSA-N 0 1 337.380 0.408 20 5 ECBDMN Cc1cnc(N2CCC(O)(CN3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000347409668 437884466 /nfs/dbraw/zinc/88/44/66/437884466.db2.gz DCROTKSNIVSFFQ-UHFFFAOYSA-N 0 1 336.392 0.962 20 5 ECBDMN O=C(NC1(c2nn[nH]n2)CC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000357067473 437901465 /nfs/dbraw/zinc/90/14/65/437901465.db2.gz JUBKTNSWADLBTM-UHFFFAOYSA-N 0 1 340.303 0.713 20 5 ECBDMN COC(=O)c1cc(C(=O)NC2(c3nn[n-]n3)CC2)cc([N+](=O)[O-])c1 ZINC000348275172 438038504 /nfs/dbraw/zinc/03/85/04/438038504.db2.gz IFPYXWBYJAFEGK-UHFFFAOYSA-N 0 1 332.276 0.314 20 5 ECBDMN COC(=O)c1cc(C(=O)NC2(c3nn[nH]n3)CC2)cc([N+](=O)[O-])c1 ZINC000348275172 438038508 /nfs/dbraw/zinc/03/85/08/438038508.db2.gz IFPYXWBYJAFEGK-UHFFFAOYSA-N 0 1 332.276 0.314 20 5 ECBDMN CC(C)C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1nc(-c2nc[nH]n2)no1 ZINC000372340870 438074071 /nfs/dbraw/zinc/07/40/71/438074071.db2.gz WACRRSBDJDYMCC-VGMNWLOBSA-N 0 1 335.324 0.723 20 5 ECBDMN CCc1n[nH]c(C(=O)N2CCCN([C@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000372690394 438107839 /nfs/dbraw/zinc/10/78/39/438107839.db2.gz DJNBTTLVERIQRD-SNVBAGLBSA-N 0 1 325.369 0.409 20 5 ECBDMN CCc1[nH]nc(C(=O)N2CCCN([C@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000372690394 438107840 /nfs/dbraw/zinc/10/78/40/438107840.db2.gz DJNBTTLVERIQRD-SNVBAGLBSA-N 0 1 325.369 0.409 20 5 ECBDMN CC(C)NC(=O)c1cnn2c1C[C@H](CNC(=O)[C@H]1CC1[N+](=O)[O-])CC2 ZINC000372835109 438112713 /nfs/dbraw/zinc/11/27/13/438112713.db2.gz HLKOTVQGKNGANR-UHIISALHSA-N 0 1 349.391 0.365 20 5 ECBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000367198570 438180219 /nfs/dbraw/zinc/18/02/19/438180219.db2.gz CVZVXBSRTHHPIY-QXSJWSMHSA-N 0 1 331.372 0.763 20 5 ECBDMN CN1CC[C@](O)(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000358208917 438183424 /nfs/dbraw/zinc/18/34/24/438183424.db2.gz GVUNFLVJIHBXMC-ZDUSSCGKSA-N 0 1 329.378 0.081 20 5 ECBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@]2(O)CCN(C)C2)c1 ZINC000358216872 438184282 /nfs/dbraw/zinc/18/42/82/438184282.db2.gz UJPKLLATFXERRE-CQSZACIVSA-N 0 1 343.405 0.557 20 5 ECBDMN CN1CC[C@](O)(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000358215240 438184694 /nfs/dbraw/zinc/18/46/94/438184694.db2.gz RQZVCHBBJWAZBA-ZDUSSCGKSA-N 0 1 329.378 0.081 20 5 ECBDMN O=[N+]([O-])c1cnc(N2CCC(O)(CN3CCOCC3)CC2)s1 ZINC000374487195 438211939 /nfs/dbraw/zinc/21/19/39/438211939.db2.gz GOGRQIBTKMNRNL-UHFFFAOYSA-N 0 1 328.394 0.715 20 5 ECBDMN CCn1cc(S(=O)(=O)N(C)CCN(C)C2CC2)c([N+](=O)[O-])n1 ZINC000351567585 438290605 /nfs/dbraw/zinc/29/06/05/438290605.db2.gz KBBRSGHPUUKYHO-UHFFFAOYSA-N 0 1 331.398 0.526 20 5 ECBDMN Cc1cc(C(=O)N2C[C@@H](O)[C@@H]([N@@H+](C)CC(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000435708283 438379798 /nfs/dbraw/zinc/37/97/98/438379798.db2.gz XSRLBNFMXWTOHS-QWHCGFSZSA-N 0 1 337.332 0.105 20 5 ECBDMN O=C(CN(CCO)CC1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000352491963 438430101 /nfs/dbraw/zinc/43/01/01/438430101.db2.gz UDFDWWDNRGEMDI-UHFFFAOYSA-N 0 1 337.332 0.966 20 5 ECBDMN CCCc1[nH]nc(C(=O)N2C[C@@H](C)S(=O)(=O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000359574509 438463287 /nfs/dbraw/zinc/46/32/87/438463287.db2.gz XZPFVWKSWQIZNL-RKDXNWHRSA-N 0 1 344.393 0.918 20 5 ECBDMN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCc1cnc[nH]1 ZINC000359702663 438482552 /nfs/dbraw/zinc/48/25/52/438482552.db2.gz ZNMUNNBLXNQNCB-UHFFFAOYSA-N 0 1 331.288 0.360 20 5 ECBDMN CN1CCN(C(=O)CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000369691339 438506568 /nfs/dbraw/zinc/50/65/68/438506568.db2.gz HKSHAKPTRFJWSM-UHFFFAOYSA-N 0 1 336.396 0.202 20 5 ECBDMN COc1cc(OC)cc(N2CC[C@H](NC(=O)[C@H]3CC3[N+](=O)[O-])C2=O)c1 ZINC000370038208 438543625 /nfs/dbraw/zinc/54/36/25/438543625.db2.gz QMSHQAUFHDAFDX-IHRRRGAJSA-N 0 1 349.343 0.591 20 5 ECBDMN CNS(=O)(=O)C[C@H]1CCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000494721461 438706305 /nfs/dbraw/zinc/70/63/05/438706305.db2.gz MCOITIVGVHGMJJ-CYBMUJFWSA-N 0 1 343.405 0.987 20 5 ECBDMN COC(=O)[C@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000413900566 438696976 /nfs/dbraw/zinc/69/69/76/438696976.db2.gz LAJGTTLAJDLBEH-LLVKDONJSA-N 0 1 337.332 0.477 20 5 ECBDMN COC(=O)[C@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000413900566 438696979 /nfs/dbraw/zinc/69/69/79/438696979.db2.gz LAJGTTLAJDLBEH-LLVKDONJSA-N 0 1 337.332 0.477 20 5 ECBDMN C[C@@H]1CN(CCCNC(=O)c2ccnc(N)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000548056364 438723111 /nfs/dbraw/zinc/72/31/11/438723111.db2.gz AHMMRBIRGSMCNM-GHMZBOCLSA-N 0 1 337.380 0.801 20 5 ECBDMN CNc1nc(C(=O)NC[C@@H](C)N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000455667483 438751191 /nfs/dbraw/zinc/75/11/91/438751191.db2.gz RGMZNZIVWSLIBP-LLVKDONJSA-N 0 1 336.396 0.397 20 5 ECBDMN COc1ccc(OCCN2CCC(O)(CO)CC2)c([N+](=O)[O-])c1 ZINC000595734078 438851660 /nfs/dbraw/zinc/85/16/60/438851660.db2.gz UVLDBNYPYQFSJO-UHFFFAOYSA-N 0 1 326.349 0.801 20 5 ECBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H](CO)c2ccc(F)cc2F)c1 ZINC000595866443 438872822 /nfs/dbraw/zinc/87/28/22/438872822.db2.gz GYQRDPRTFFKULT-FZMZJTMJSA-N 0 1 342.302 0.754 20 5 ECBDMN COc1ccc(S(=O)(=O)N2CC[C@H]3CN(C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000589928944 438893683 /nfs/dbraw/zinc/89/36/83/438893683.db2.gz IAALWVZKOPTMLS-GWCFXTLKSA-N 0 1 341.389 0.928 20 5 ECBDMN O=C(Nc1n[nH]c2ncnn12)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000590378483 438915146 /nfs/dbraw/zinc/91/51/46/438915146.db2.gz CNZCFKQTOCQJRM-UHFFFAOYSA-N 0 1 339.275 0.799 20 5 ECBDMN COC(=O)COc1ccc(CN[C@H]2COC[C@H]2OC)cc1[N+](=O)[O-] ZINC000459753094 438995015 /nfs/dbraw/zinc/99/50/15/438995015.db2.gz JYLUHTKMLIFVDT-SMDDNHRTSA-N 0 1 340.332 0.650 20 5 ECBDMN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2nccn2CC(F)(F)F)c1 ZINC000566063130 439001339 /nfs/dbraw/zinc/00/13/39/439001339.db2.gz DNACPWGDCBSGKC-SNVBAGLBSA-N 0 1 348.285 0.701 20 5 ECBDMN C[C@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nnc[nH]1 ZINC000479511423 439118763 /nfs/dbraw/zinc/11/87/63/439118763.db2.gz OXDBXSNISSVZCH-ZETCQYMHSA-N 0 1 344.287 0.186 20 5 ECBDMN O=C1NCCC[C@H]1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591735068 439077719 /nfs/dbraw/zinc/07/77/19/439077719.db2.gz NWHNJIGNMUYHHM-NSHDSACASA-N 0 1 341.389 0.484 20 5 ECBDMN O=C1CCC[C@H](CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)N1 ZINC000591764217 439082404 /nfs/dbraw/zinc/08/24/04/439082404.db2.gz XNVHWKRYUBWNGZ-LLVKDONJSA-N 0 1 341.389 0.627 20 5 ECBDMN O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000598452778 439264584 /nfs/dbraw/zinc/26/45/84/439264584.db2.gz MEGQOWZORLMEJJ-CYBMUJFWSA-N 0 1 335.360 0.972 20 5 ECBDMN C[NH+](C)CCC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCO1 ZINC000598779559 439316272 /nfs/dbraw/zinc/31/62/72/439316272.db2.gz KJNIOHLIBFSFCW-LBPRGKRZSA-N 0 1 338.364 0.878 20 5 ECBDMN O=[N+]([O-])c1ccc(S(=O)(=O)NCCNCc2cn[nH]c2)cc1 ZINC000604549815 439319044 /nfs/dbraw/zinc/31/90/44/439319044.db2.gz XPFYCRKHCJXLCT-UHFFFAOYSA-N 0 1 325.350 0.386 20 5 ECBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 ZINC000593033070 439331652 /nfs/dbraw/zinc/33/16/52/439331652.db2.gz GVGKCLSCROJQRB-UONOGXRCSA-N 0 1 342.373 0.688 20 5 ECBDMN COC(=O)C1(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCCC1 ZINC000599210436 439380974 /nfs/dbraw/zinc/38/09/74/439380974.db2.gz KMWLPBIXBPTDER-UHFFFAOYSA-N 0 1 332.338 0.092 20 5 ECBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCc2ccc(F)cc2)n1 ZINC000599208441 439381251 /nfs/dbraw/zinc/38/12/51/439381251.db2.gz UMIQXOPZGIEEFJ-UHFFFAOYSA-N 0 1 328.325 0.988 20 5 ECBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCCOC[C@@H]2CCOC2)n1 ZINC000599244621 439397207 /nfs/dbraw/zinc/39/72/07/439397207.db2.gz OJEZHVVYJHGDPS-JTQLQIEISA-N 0 1 348.381 0.050 20 5 ECBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](CO)C2CCCCC2)n1 ZINC000599246713 439400114 /nfs/dbraw/zinc/40/01/14/439400114.db2.gz LEDCLQOAXRFTMR-JTQLQIEISA-N 0 1 332.382 0.548 20 5 ECBDMN CCC[C@](C)(NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)OC ZINC000599210122 439381934 /nfs/dbraw/zinc/38/19/34/439381934.db2.gz GTWQEVMLSBMXOC-NSHDSACASA-N 0 1 334.354 0.338 20 5 ECBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@]2(C)CCO[C@H]2C2CC2)n1 ZINC000599277910 439414030 /nfs/dbraw/zinc/41/40/30/439414030.db2.gz ALMBTVHVBFALRL-AAEUAGOBSA-N 0 1 344.393 0.812 20 5 ECBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2(CCO)CCCCC2)n1 ZINC000599283283 439415768 /nfs/dbraw/zinc/41/57/68/439415768.db2.gz TZPMYVVKZWYWCQ-UHFFFAOYSA-N 0 1 346.409 0.940 20 5 ECBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@]2(O)CCCC(C)(C)C2)n1 ZINC000599287436 439419181 /nfs/dbraw/zinc/41/91/81/439419181.db2.gz HZEVXHQKLWDRCV-ZDUSSCGKSA-N 0 1 346.409 0.938 20 5 ECBDMN C[C@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599305671 439426198 /nfs/dbraw/zinc/42/61/98/439426198.db2.gz AXBUPZNFIPNTAO-QWRGUYRKSA-N 0 1 343.409 0.576 20 5 ECBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCc2cnc3n2CCCC3)n1 ZINC000599305302 439426296 /nfs/dbraw/zinc/42/62/96/439426296.db2.gz WDMQHSZELGONNM-UHFFFAOYSA-N 0 1 340.365 0.340 20 5 ECBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2COc3ccccc32)n1 ZINC000599315122 439428578 /nfs/dbraw/zinc/42/85/78/439428578.db2.gz JTKVDAALRJRWEK-SECBINFHSA-N 0 1 338.345 0.783 20 5 ECBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC(C)(C)c2cccnc2)n1 ZINC000599328704 439434752 /nfs/dbraw/zinc/43/47/52/439434752.db2.gz RSVRHFUDHOVXCS-UHFFFAOYSA-N 0 1 339.377 0.979 20 5 ECBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2COCc3ccccc32)n1 ZINC000599328940 439435418 /nfs/dbraw/zinc/43/54/18/439435418.db2.gz XBNPBCJNGKTAST-NSHDSACASA-N 0 1 338.345 0.878 20 5 ECBDMN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NCc1cnc[nH]1)OCCO2 ZINC000599357446 439445534 /nfs/dbraw/zinc/44/55/34/439445534.db2.gz UYSOJGVKKDZYFR-UHFFFAOYSA-N 0 1 340.317 0.568 20 5 ECBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCCc2ccccn2)n1 ZINC000599267875 439408918 /nfs/dbraw/zinc/40/89/18/439408918.db2.gz RXAFMENWRUIIBP-UHFFFAOYSA-N 0 1 325.350 0.634 20 5 ECBDMN CCc1n[nH]c(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000608799665 439546254 /nfs/dbraw/zinc/54/62/54/439546254.db2.gz RGJGEEMVDPTXLK-NSHDSACASA-N 0 1 337.380 0.817 20 5 ECBDMN CC(C)(C)n1nnc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000594476116 439568349 /nfs/dbraw/zinc/56/83/49/439568349.db2.gz CZGSXRVZBNDOSC-UHFFFAOYSA-N 0 1 346.394 0.876 20 5 ECBDMN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000599937094 439578258 /nfs/dbraw/zinc/57/82/58/439578258.db2.gz DBVNJPZOPBLZHU-VXGBXAGGSA-N 0 1 349.343 0.605 20 5 ECBDMN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000599937094 439578265 /nfs/dbraw/zinc/57/82/65/439578265.db2.gz DBVNJPZOPBLZHU-VXGBXAGGSA-N 0 1 349.343 0.605 20 5 ECBDMN CC(C)(CO)N1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000611515659 439702995 /nfs/dbraw/zinc/70/29/95/439702995.db2.gz DQKABZUSYFRHOZ-UHFFFAOYSA-N 0 1 336.392 0.922 20 5 ECBDMN CCn1cc(S(=O)(=O)N2CCCC[C@H]2CN(C)C)c([N+](=O)[O-])n1 ZINC000595344613 439708524 /nfs/dbraw/zinc/70/85/24/439708524.db2.gz HPWNLDCZGPSKBI-NSHDSACASA-N 0 1 345.425 0.916 20 5 ECBDMN CCn1cc(S(=O)(=O)N2CCN[C@H](C(C)C)C2)c([N+](=O)[O-])n1 ZINC000595411984 439724111 /nfs/dbraw/zinc/72/41/11/439724111.db2.gz JSDPXIGFIWTDJM-JTQLQIEISA-N 0 1 331.398 0.430 20 5 ECBDMN C[C@@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])Cn1ccnc1 ZINC000600668219 439686132 /nfs/dbraw/zinc/68/61/32/439686132.db2.gz JICMAFNTEZWCEQ-VIFPVBQESA-N 0 1 328.354 0.139 20 5 ECBDMN NS(=O)(=O)C[C@@H]1CCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356575753 321537902 /nfs/dbraw/zinc/53/79/02/321537902.db2.gz KPZBUQARTCUWBD-VIFPVBQESA-N 0 1 329.334 0.194 20 5 ECBDMN C[NH+](C)CCN(CC(=O)[O-])C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000533187228 322065977 /nfs/dbraw/zinc/06/59/77/322065977.db2.gz HEQMNSXUUUYDKT-UHFFFAOYSA-N 0 1 335.320 0.560 20 5 ECBDMN CNc1ccc(C(=O)N(C)CC(=O)N2CCNCC2)cc1[N+](=O)[O-] ZINC000563038084 322294011 /nfs/dbraw/zinc/29/40/11/322294011.db2.gz FNZGPEYEMXJDDF-UHFFFAOYSA-N 0 1 335.364 0.140 20 5 ECBDMN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1nnc2n1CCCCC2 ZINC000564078589 322360862 /nfs/dbraw/zinc/36/08/62/322360862.db2.gz UBFKQLOGOSRPQK-AAEUAGOBSA-N 0 1 349.395 0.821 20 5 ECBDMN O=C(NCCO)C1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000750036100 579346509 /nfs/dbraw/zinc/34/65/09/579346509.db2.gz PFDKGROPRBNLOM-HNNXBMFYSA-N 0 1 337.376 0.449 20 5 ECBDMN C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC000732035896 578318438 /nfs/dbraw/zinc/31/84/38/578318438.db2.gz VJZMZJLRSLHJIQ-LBPRGKRZSA-N 0 1 348.403 0.990 20 5 ECBDMN Cn1cc(N2CC[C@H](NC[C@H](O)c3ccc([N+](=O)[O-])cc3)C2=O)cn1 ZINC000732228981 578321608 /nfs/dbraw/zinc/32/16/08/578321608.db2.gz RYQVFRZLPBPVAO-GJZGRUSLSA-N 0 1 345.359 0.757 20 5 ECBDMN C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(N)=O ZINC000795920513 578621523 /nfs/dbraw/zinc/62/15/23/578621523.db2.gz USNDEHAIKQELJC-BYPYZUCNSA-N 0 1 325.705 0.539 20 5 ECBDMN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC(O)(c2nn[nH]n2)CC1 ZINC000798147994 578639551 /nfs/dbraw/zinc/63/95/51/578639551.db2.gz ITQRPAWVXPEHOG-UHFFFAOYSA-N 0 1 332.320 0.161 20 5 ECBDMN C[C@H]1CN(C(=O)CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCO1 ZINC000785857351 578776422 /nfs/dbraw/zinc/77/64/22/578776422.db2.gz IBWKXTJEMBOOMH-LBPRGKRZSA-N 0 1 337.380 0.676 20 5 ECBDMN Cc1cc(C(=O)NC[C@H]2CN3CCN2CCC3)c(N)c([N+](=O)[O-])c1 ZINC000774273340 579244900 /nfs/dbraw/zinc/24/49/00/579244900.db2.gz HHOYGAJGHAULOY-LBPRGKRZSA-N 0 1 333.392 0.605 20 5 ECBDMN O=C(CCc1nc[nH]n1)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000764001775 579568949 /nfs/dbraw/zinc/56/89/49/579568949.db2.gz GVMKNNGQRSNBKG-UHFFFAOYSA-N 0 1 345.315 0.778 20 5 ECBDMN CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000840672998 588971227 /nfs/dbraw/zinc/97/12/27/588971227.db2.gz VETJLEYYFGWEIS-YUSALJHKSA-N 0 1 342.348 0.385 20 5 ECBDMN CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000841125494 588979070 /nfs/dbraw/zinc/97/90/70/588979070.db2.gz NVDASEHUPNOIKZ-LDYMZIIASA-N 0 1 331.325 0.680 20 5 ECBDMN CC1(C)COC(=O)[C@@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000841535376 588993001 /nfs/dbraw/zinc/99/30/01/588993001.db2.gz RBWQOLIEEMNSOJ-JTQLQIEISA-N 0 1 332.309 0.964 20 5 ECBDMN O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CC[N@H+]3CC[C@H]2C3)cc1 ZINC000601424558 586324908 /nfs/dbraw/zinc/32/49/08/586324908.db2.gz AEEGEUJIAZXWCX-AWEZNQCLSA-N 0 1 325.390 0.857 20 5 ECBDMN O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCN3CC[C@H]2C3)cc1 ZINC000601424558 586324911 /nfs/dbraw/zinc/32/49/11/586324911.db2.gz AEEGEUJIAZXWCX-AWEZNQCLSA-N 0 1 325.390 0.857 20 5 ECBDMN C[C@@H]1CCCC[C@@H]1OCCNC(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673411 586387007 /nfs/dbraw/zinc/38/70/07/586387007.db2.gz YMNVASKYIGHQDX-LPWJVIDDSA-N 0 1 328.365 0.906 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/nfs/dbraw/zinc/32/22/74/436322274.db2.gz QHSHNVGLHZBLTK-UHFFFAOYSA-N 0 1 336.392 0.951 20 5 ECBDMN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCCc1nc[nH]n1 ZINC000080624080 436325637 /nfs/dbraw/zinc/32/56/37/436325637.db2.gz YKRRCVQQJJQHPL-UHFFFAOYSA-N 0 1 331.741 0.887 20 5 ECBDMN CN1CCN(c2cc(CNC(=O)c3cc([N+](=O)[O-])c[nH]3)ccn2)CC1 ZINC000048330183 436448751 /nfs/dbraw/zinc/44/87/51/436448751.db2.gz QIUPLFPZFYHGPS-UHFFFAOYSA-N 0 1 344.375 1.000 20 5 ECBDMN Cc1ncsc1C(=O)NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000050476693 436474876 /nfs/dbraw/zinc/47/48/76/436474876.db2.gz SBJQEVIOOPTSQL-GHMZBOCLSA-N 0 1 338.389 0.838 20 5 ECBDMN O=C(NCC1CCS(=O)(=O)CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000540949994 302180998 /nfs/dbraw/zinc/18/09/98/302180998.db2.gz UKLGBAWXNGETGZ-UHFFFAOYSA-N 0 1 328.346 0.855 20 5 ECBDMN CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000552024284 302381611 /nfs/dbraw/zinc/38/16/11/302381611.db2.gz HISZHKCMKYWYSE-JTQLQIEISA-N 0 1 326.353 0.518 20 5 ECBDMN C[C@H]1CCNC(=O)[C@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000195478456 436691418 /nfs/dbraw/zinc/69/14/18/436691418.db2.gz OETFLRZPJXNTHZ-XVKPBYJWSA-N 0 1 331.325 0.537 20 5 ECBDMN NC(=O)NC(=O)CCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000065950578 436674179 /nfs/dbraw/zinc/67/41/79/436674179.db2.gz YJIBIQUPFOHKLN-UHFFFAOYSA-N 0 1 335.364 0.692 20 5 ECBDMN CNC(=O)[C@H]1CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CCO1 ZINC000273152585 436733546 /nfs/dbraw/zinc/73/35/46/436733546.db2.gz XOXQHEXXPGEJGS-MRVPVSSYSA-N 0 1 325.325 0.028 20 5 ECBDMN NC(=O)NC1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273321014 436745393 /nfs/dbraw/zinc/74/53/93/436745393.db2.gz KEMKJOZKALXODV-LBPRGKRZSA-N 0 1 338.364 0.467 20 5 ECBDMN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCNCC1 ZINC000237851079 436746535 /nfs/dbraw/zinc/74/65/35/436746535.db2.gz MVMHHYDIKOPQNX-UHFFFAOYSA-N 0 1 326.740 0.410 20 5 ECBDMN COC[C@](C)(NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000273541183 436763500 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/nfs/dbraw/zinc/32/37/18/748323718.db2.gz ZDFRSDRSKKBIAR-DNRKLUKYSA-N 0 1 334.332 0.077 20 5 ECBDMN O=C(NC[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1C=CC=CC=C1 ZINC000979885568 748623367 /nfs/dbraw/zinc/62/33/67/748623367.db2.gz CMWVKIYADRYXPI-NMFUWQPSSA-N 0 1 331.372 0.961 20 5 ECBDMN O=C(NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1[nH]nc2ccccc21 ZINC001004294421 749383138 /nfs/dbraw/zinc/38/31/38/749383138.db2.gz OEPOHWWRBWWNGV-DGCLKSJQSA-N 0 1 343.343 0.416 20 5 ECBDMN COc1ccccc1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000980486827 749637147 /nfs/dbraw/zinc/63/71/47/749637147.db2.gz TZRATFHJVJDJTC-HBJVGIJOSA-N 0 1 347.371 0.985 20 5 ECBDMN CN(C(=O)c1ccn[nH]1)C1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001005131678 750261231 /nfs/dbraw/zinc/26/12/31/750261231.db2.gz VIOYAFWWGUZIAJ-UHFFFAOYSA-N 0 1 347.379 0.788 20 5 ECBDMN CN(CC1CCN(C(=O)c2cccnn2)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000988614383 752382544 /nfs/dbraw/zinc/38/25/44/752382544.db2.gz WEFFEERCMVQHQO-TZMCWYRMSA-N 0 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COCC[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(=O)OC ZINC000291543563 437605033 /nfs/dbraw/zinc/60/50/33/437605033.db2.gz MCAIPKUUURAFLL-NSHDSACASA-N 0 1 336.304 0.779 20 5 ECBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000354459418 437622747 /nfs/dbraw/zinc/62/27/47/437622747.db2.gz ALYZIFPEVPGCGA-SCZZXKLOSA-N 0 1 329.316 0.964 20 5 ECBDMN C[C@@](O)(CNC(=O)c1cccc([N+](=O)[O-])c1[O-])C[NH+]1CCOCC1 ZINC000436918086 297852679 /nfs/dbraw/zinc/85/26/79/297852679.db2.gz DMIMBDGIEBGIGY-OAHLLOKOSA-N 0 1 339.348 0.113 20 5 ECBDMN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC2(c3nn[nH]n3)CC2)c1 ZINC000345195314 298128849 /nfs/dbraw/zinc/12/88/49/298128849.db2.gz SVTWATDMUHSSIS-UHFFFAOYSA-N 0 1 332.320 0.991 20 5 ECBDMN O=C(c1cnc[nH]1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000361087877 300060179 /nfs/dbraw/zinc/06/01/79/300060179.db2.gz NNLOAMOZTITDCW-UHFFFAOYSA-N 0 1 329.316 0.916 20 5 ECBDMN CS(=O)(=O)Nc1cccc2c1CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000362142475 300165095 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O=C(COc1ccccc1)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000055603309 436578990 /nfs/dbraw/zinc/57/89/90/436578990.db2.gz OFXLURANJYRLTE-HUUCEWRRSA-N 0 1 347.371 0.792 20 5 ECBDMN CN(C)[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccc(F)cc1 ZINC000065497493 436664761 /nfs/dbraw/zinc/66/47/61/436664761.db2.gz JXQZUTHNUFRTCK-LBPRGKRZSA-N 0 1 336.327 0.745 20 5 ECBDMN C[C@@H](CN(C)C(=O)CN(C)c1ccccc1[N+](=O)[O-])c1nn[nH]n1 ZINC000124487016 436751553 /nfs/dbraw/zinc/75/15/53/436751553.db2.gz PBACSWQLXBCLTJ-JTQLQIEISA-N 0 1 333.352 0.806 20 5 ECBDMN COC[C@@](C)(NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000273541182 436763372 /nfs/dbraw/zinc/76/33/72/436763372.db2.gz DZZTZNUYXPNIPN-CYBMUJFWSA-N 0 1 346.361 0.592 20 5 ECBDMN CN(C)CC(=O)N1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000255588196 436853550 /nfs/dbraw/zinc/85/35/50/436853550.db2.gz BPTRXINFYDIVSN-SREVYHEPSA-N 0 1 346.387 0.840 20 5 ECBDMN CN(C)C1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000135022576 436908400 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437192500 /nfs/dbraw/zinc/19/25/00/437192500.db2.gz VKCQZKBGCNTUMA-SECBINFHSA-N 0 1 332.320 0.490 20 5 ECBDMN CS[C@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000278122351 437284227 /nfs/dbraw/zinc/28/42/27/437284227.db2.gz SSRYLVVWUXAHPL-QWRGUYRKSA-N 0 1 326.378 0.813 20 5 ECBDMN O=C1NC(=O)[C@@]2(CCCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)N1 ZINC000279135441 437376433 /nfs/dbraw/zinc/37/64/33/437376433.db2.gz WSLYRNNICQDPLU-WFASDCNBSA-N 0 1 334.332 0.302 20 5 ECBDMN CN1CCN(CCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000279169244 437380550 /nfs/dbraw/zinc/38/05/50/437380550.db2.gz GUQUVADZBSYYEO-UHFFFAOYSA-N 0 1 325.344 0.293 20 5 ECBDMN CNC(=O)C[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000269096371 437454116 /nfs/dbraw/zinc/45/41/16/437454116.db2.gz MZDSKVLXCIAYSF-UHFFFAOYSA-N 0 1 336.348 0.241 20 5 ECBDMN CCn1cc(S(=O)(=O)[N-][C@H]2C[C@H]2C2CC[NH2+]CC2)c([N+](=O)[O-])n1 ZINC000359983523 437498234 /nfs/dbraw/zinc/49/82/34/437498234.db2.gz IGNWSFHTHWQVKX-QWRGUYRKSA-N 0 1 343.409 0.478 20 5 ECBDMN COc1cccc(C(=O)NCCNC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000343173505 437525148 /nfs/dbraw/zinc/52/51/48/437525148.db2.gz NDKVAHUKTZUKKP-UHFFFAOYSA-N 0 1 333.304 0.486 20 5 ECBDMN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H](c3n[nH]c(=O)o3)C2)n1 ZINC000290912708 437542516 /nfs/dbraw/zinc/54/25/16/437542516.db2.gz HBEGGMMSLXCXNI-QMMMGPOBSA-N 0 1 349.303 0.837 20 5 ECBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)Cc1nnc[nH]1 ZINC000290955444 437545733 /nfs/dbraw/zinc/54/57/33/437545733.db2.gz BPQJNSSICNJUKO-UHFFFAOYSA-N 0 1 332.320 0.872 20 5 ECBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCSC[C@H]1CO ZINC000343721014 437636601 /nfs/dbraw/zinc/63/66/01/437636601.db2.gz BZUODEFQXLNIKO-NEPJUHHUSA-N 0 1 328.390 0.744 20 5 ECBDMN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN2CCOC)n1 ZINC000191803393 437654187 /nfs/dbraw/zinc/65/41/87/437654187.db2.gz GBKGUVDBXGWNRV-LLVKDONJSA-N 0 1 325.369 0.652 20 5 ECBDMN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)N1CCNCC1 ZINC000415283826 437774112 /nfs/dbraw/zinc/77/41/12/437774112.db2.gz OCGYJXQEPBBSRM-UHFFFAOYSA-N 0 1 344.274 0.567 20 5 ECBDMN C[C@@H]1CN(C(=O)C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000423656918 437793194 /nfs/dbraw/zinc/79/31/94/437793194.db2.gz UYJMFYNGBUAKRK-OLZOCXBDSA-N 0 1 348.403 0.805 20 5 ECBDMN CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC000370526251 437798691 /nfs/dbraw/zinc/79/86/91/437798691.db2.gz JGXYQRDYGKSSPK-WRWGMCAJSA-N 0 1 325.365 0.977 20 5 ECBDMN O=C(Cc1ccccn1)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000370792317 437842036 /nfs/dbraw/zinc/84/20/36/437842036.db2.gz JCIPBMCVNAAZEQ-KGLIPLIRSA-N 0 1 332.360 0.350 20 5 ECBDMN O=C(NCC1CCN(c2ncccn2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000365078688 437855809 /nfs/dbraw/zinc/85/58/09/437855809.db2.gz QJVFPZAAFFNRNZ-UHFFFAOYSA-N 0 1 331.336 0.754 20 5 ECBDMN Cc1nc([C@H]2CCCCN2C(=O)Cn2cc([N+](=O)[O-])ccc2=O)n[nH]1 ZINC000370951109 437861076 /nfs/dbraw/zinc/86/10/76/437861076.db2.gz UNPJWEVOCMGKQV-GFCCVEGCSA-N 0 1 346.347 0.937 20 5 ECBDMN CCOCCO[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000341683354 437884752 /nfs/dbraw/zinc/88/47/52/437884752.db2.gz DZXDQOJYPJLDPW-CQSZACIVSA-N 0 1 325.365 0.884 20 5 ECBDMN CCC[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CCN1CCOC ZINC000347443673 437889803 /nfs/dbraw/zinc/88/98/03/437889803.db2.gz FNGPGEJOAYWZHK-GFCCVEGCSA-N 0 1 340.384 0.146 20 5 ECBDMN O=C(NC1(c2nn[nH]n2)CC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000357072394 437904997 /nfs/dbraw/zinc/90/49/97/437904997.db2.gz QKBBMEVOWCHOSA-UHFFFAOYSA-N 0 1 341.291 0.108 20 5 ECBDMN CN1CCC([N@H+]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000366127773 438023118 /nfs/dbraw/zinc/02/31/18/438023118.db2.gz PNZXHUIGMMMNFG-LBPRGKRZSA-N 0 1 333.392 0.888 20 5 ECBDMN COc1cc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000342350316 438006389 /nfs/dbraw/zinc/00/63/89/438006389.db2.gz VSRRHFMJATZLML-JTQLQIEISA-N 0 1 329.378 0.976 20 5 ECBDMN 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CN(CCNCc1nnc(C(C)(C)C)o1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001267371786 837271660 /nfs/dbraw/zinc/27/16/60/837271660.db2.gz UXWAAVVKXVWKTO-NXEZZACHSA-N 0 1 325.369 0.580 20 5 ECBDMN O=C(NCC1CN(CCOCC(F)(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001267679884 838239814 /nfs/dbraw/zinc/23/98/14/838239814.db2.gz CUMLCDIRJKCVOO-NXEZZACHSA-N 0 1 325.287 0.279 20 5 ECBDMN C[C@@](O)(CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)CN1CCOCC1 ZINC000428026321 210238257 /nfs/dbraw/zinc/23/82/57/210238257.db2.gz ZFPUDQROZXOJPH-OAHLLOKOSA-N 0 1 339.348 0.113 20 5 ECBDMN CCS(=O)(=O)N1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000428022776 210237408 /nfs/dbraw/zinc/23/74/08/210237408.db2.gz MYJQRTUTYCPCCO-UHFFFAOYSA-N 0 1 343.361 0.408 20 5 ECBDMN C[C@H](Cn1cncn1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000104103959 219347809 /nfs/dbraw/zinc/34/78/09/219347809.db2.gz QCFDRCOOBJLIOQ-MRVPVSSYSA-N 0 1 329.313 0.692 20 5 ECBDMN CC(C)NS(=O)(=O)CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356517204 299401489 /nfs/dbraw/zinc/40/14/89/299401489.db2.gz UQOPNOFYEAELGC-UHFFFAOYSA-N 0 1 331.350 0.358 20 5 ECBDMN COCCN1CC[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000266626310 248388991 /nfs/dbraw/zinc/38/89/91/248388991.db2.gz JEBDGUMWYJRYHV-LBPRGKRZSA-N 0 1 336.348 0.370 20 5 ECBDMN CCn1cc(S(=O)(=O)[N-]C[C@@H]2[NH2+]CCCC2(C)C)c([N+](=O)[O-])n1 ZINC000430361506 210369276 /nfs/dbraw/zinc/36/92/76/210369276.db2.gz ZSLJITVKFVBIFA-NSHDSACASA-N 0 1 345.425 0.868 20 5 ECBDMN O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000495985926 255061014 /nfs/dbraw/zinc/06/10/14/255061014.db2.gz YDOHGTULZCXQLU-FDYHWXHSSA-N 0 1 341.364 0.548 20 5 ECBDMN C[C@H]1CN(C(=O)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CCN1 ZINC000419168790 209011213 /nfs/dbraw/zinc/01/12/13/209011213.db2.gz SXKRPDUSFPHICP-VIFPVBQESA-N 0 1 340.767 0.685 20 5 ECBDMN CN1CCN(CCNC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000077581293 296621448 /nfs/dbraw/zinc/62/14/48/296621448.db2.gz WYQVIIXFGWGYIC-UHFFFAOYSA-N 0 1 336.392 0.727 20 5 ECBDMN NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000285678417 264331903 /nfs/dbraw/zinc/33/19/03/264331903.db2.gz PWMYPFVQBFQYDC-ZETCQYMHSA-N 0 1 334.292 0.149 20 5 ECBDMN C[C@@H]1C[C@H](N2CCOCC2)CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000286240014 264382614 /nfs/dbraw/zinc/38/26/14/264382614.db2.gz ZNCITSBGPABWKV-DOMZBBRYSA-N 0 1 348.403 0.989 20 5 ECBDMN COc1ccc(C(=O)Nc2nn[nH]c2C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000297831623 265185522 /nfs/dbraw/zinc/18/55/22/265185522.db2.gz VVMJTPOFPGNBGY-UHFFFAOYSA-N 0 1 346.303 0.866 20 5 ECBDMN CN(C)CC(=O)N1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153566147 276776441 /nfs/dbraw/zinc/77/64/41/276776441.db2.gz BOUVDCGJQJUWPR-UHFFFAOYSA-N 0 1 327.772 0.853 20 5 ECBDMN COc1ccc(NC(=O)CCN(C)[C@@H]2CCNC2=O)c([N+](=O)[O-])c1 ZINC000340223174 437610966 /nfs/dbraw/zinc/61/09/66/437610966.db2.gz VNTPCGYCGDQNSM-GFCCVEGCSA-N 0 1 336.348 0.752 20 5 ECBDMN Cc1nn(C)c(C(=O)N2CCC(C3N=NC(=O)O3)CC2)c1[N+](=O)[O-] ZINC000339188151 297324429 /nfs/dbraw/zinc/32/44/29/297324429.db2.gz FOKSQJOJLPWIFJ-UHFFFAOYSA-N 0 1 336.308 0.745 20 5 ECBDMN O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1=O)[C@H]1CC1[N+](=O)[O-] ZINC000363642954 300283160 /nfs/dbraw/zinc/28/31/60/300283160.db2.gz HUJDHIHZDFIWGN-WHGOUJPWSA-N 0 1 325.271 0.852 20 5 ECBDMN COCCn1ncc2c1[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])CCC2 ZINC000363876832 300302678 /nfs/dbraw/zinc/30/26/78/300302678.db2.gz SPFAMNJAZNRBNP-JTQLQIEISA-N 0 1 334.336 0.968 20 5 ECBDMN C[N@H+](CC(=O)[O-])C[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CCO1 ZINC000363996318 300315668 /nfs/dbraw/zinc/31/56/68/300315668.db2.gz AJGYADAWPSTAEL-CYBMUJFWSA-N 0 1 341.339 0.951 20 5 ECBDMN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(O)(CN2CCOCC2)CC1 ZINC000364093384 300325589 /nfs/dbraw/zinc/32/55/89/300325589.db2.gz LCTHATVHYZMJSS-UHFFFAOYSA-N 0 1 349.387 0.894 20 5 ECBDMN Nc1c(C(=O)N2CCO[C@@H](c3nn[nH]n3)C2)cc(F)cc1[N+](=O)[O-] ZINC000364529357 300365038 /nfs/dbraw/zinc/36/50/38/300365038.db2.gz OMEXBNYQTWYYQU-SECBINFHSA-N 0 1 337.271 0.043 20 5 ECBDMN Cc1nc(CN(C)[C@@H]2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)no1 ZINC000364693674 300378855 /nfs/dbraw/zinc/37/88/55/300378855.db2.gz DTASBJXBIBEOLE-JHJVBQTASA-N 0 1 337.380 0.856 20 5 ECBDMN NC(=O)c1ccc(N2CCN([C@H]3CCC[C@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000368532662 300670874 /nfs/dbraw/zinc/67/08/74/300670874.db2.gz KEEYIIGVDYLSIF-DZGCQCFKSA-N 0 1 334.376 0.729 20 5 ECBDMN CN1C(=O)CSC12CCN(CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000371795466 300942534 /nfs/dbraw/zinc/94/25/34/300942534.db2.gz LYYDPXYERSSSAW-UHFFFAOYSA-N 0 1 325.394 0.789 20 5 ECBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000374473109 301110326 /nfs/dbraw/zinc/11/03/26/301110326.db2.gz UTTBQIOVRPIZHP-NWDGAFQWSA-N 0 1 331.394 0.068 20 5 ECBDMN CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000375984167 301224936 /nfs/dbraw/zinc/22/49/36/301224936.db2.gz KPLZFPJYWOWWSE-MRXNPFEDSA-N 0 1 332.404 0.986 20 5 ECBDMN Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)[C@H]2CC2[N+](=O)[O-])oc1C ZINC000376081539 301233638 /nfs/dbraw/zinc/23/36/38/301233638.db2.gz LWEBHJUKFIQPCI-ZDEQEGDKSA-N 0 1 340.355 0.985 20 5 ECBDMN O=C(OC[C@@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-])N1CCOCC1 ZINC000376418566 301260381 /nfs/dbraw/zinc/26/03/81/301260381.db2.gz CNBCOBIPDQGOMG-YNEHKIRRSA-N 0 1 341.364 0.502 20 5 ECBDMN O=C(N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000377138386 301324680 /nfs/dbraw/zinc/32/46/80/301324680.db2.gz JNXLTKYRPYLESY-UHTWSYAYSA-N 0 1 339.373 0.231 20 5 ECBDMN CCOc1ccc(C(=O)N2CCO[C@H](c3nn[nH]n3)C2)cc1[N+](=O)[O-] ZINC000377596268 301363413 /nfs/dbraw/zinc/36/34/13/301363413.db2.gz XOEYSPBTHWKINL-LBPRGKRZSA-N 0 1 348.319 0.720 20 5 ECBDMN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2nn[nH]n2)C1 ZINC000377599989 301364059 /nfs/dbraw/zinc/36/40/59/301364059.db2.gz KUALOUPZWLMAPZ-LLVKDONJSA-N 0 1 334.292 0.087 20 5 ECBDMN O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000028813853 436195186 /nfs/dbraw/zinc/19/51/86/436195186.db2.gz JABSCUTYFCZDSL-UHFFFAOYSA-N 0 1 329.316 0.641 20 5 ECBDMN COC(=O)NCCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000496990807 301555458 /nfs/dbraw/zinc/55/54/58/301555458.db2.gz OMLHVNVJGDXIHB-UHFFFAOYSA-N 0 1 331.350 0.314 20 5 ECBDMN CNC(=O)NC(=O)CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047745631 436430503 /nfs/dbraw/zinc/43/05/03/436430503.db2.gz JOPWCMRGOZOORT-UHFFFAOYSA-N 0 1 335.364 0.563 20 5 ECBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CCO)CCCO ZINC000109798369 436626305 /nfs/dbraw/zinc/62/63/05/436626305.db2.gz OWIMPCSESUIEAG-UHFFFAOYSA-N 0 1 325.365 0.909 20 5 ECBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)CN(C)C)CC1 ZINC000063466292 436643335 /nfs/dbraw/zinc/64/33/35/436643335.db2.gz JRNCPLRBODLLLL-UHFFFAOYSA-N 0 1 334.376 0.749 20 5 ECBDMN COCCN1CC[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000272368826 436712789 /nfs/dbraw/zinc/71/27/89/436712789.db2.gz TYLYRHGKYQGALT-NSHDSACASA-N 0 1 337.332 0.774 20 5 ECBDMN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000153323799 436754321 /nfs/dbraw/zinc/75/43/21/436754321.db2.gz FZTDLJHXTAIXHF-GRYCIOLGSA-N 0 1 334.376 0.922 20 5 ECBDMN NS(=O)(=O)c1cccc(N2CC[C@H](N3CC=CC3)C2)c1[N+](=O)[O-] ZINC000273494749 436759356 /nfs/dbraw/zinc/75/93/56/436759356.db2.gz QCPMYNDOURMXHT-NSHDSACASA-N 0 1 338.389 0.693 20 5 ECBDMN CN(C)CC(=O)N1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000126134899 436784065 /nfs/dbraw/zinc/78/40/65/436784065.db2.gz NJJHYYQCJDILOY-UHFFFAOYSA-N 0 1 338.339 0.580 20 5 ECBDMN O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2nn[nH]n2)C1 ZINC000155528202 436797769 /nfs/dbraw/zinc/79/77/69/436797769.db2.gz WDHFVDQEEASGGT-JTQLQIEISA-N 0 1 332.320 0.893 20 5 ECBDMN CCc1n[nH]c(C(=O)N2CCN(C[C@H](C)O)[C@H](CC)C2)c1[N+](=O)[O-] ZINC000248492412 436804229 /nfs/dbraw/zinc/80/42/29/436804229.db2.gz OKXGYKBDCSSCAQ-WDEREUQCSA-N 0 1 339.396 0.798 20 5 ECBDMN CCc1n[nH]c(C(=O)N2CCN(C[C@H](C)O)[C@@H](CC)C2)c1[N+](=O)[O-] ZINC000248492410 436804512 /nfs/dbraw/zinc/80/45/12/436804512.db2.gz OKXGYKBDCSSCAQ-QWRGUYRKSA-N 0 1 339.396 0.798 20 5 ECBDMN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCCN1CC=CCC1 ZINC000280259317 436876628 /nfs/dbraw/zinc/87/66/28/436876628.db2.gz OIZNIZQUIJBDFU-UHFFFAOYSA-N 0 1 332.360 0.703 20 5 ECBDMN O=C(NCCCCN1CCOCC1)NCCn1cc([N+](=O)[O-])cn1 ZINC000133614098 436881749 /nfs/dbraw/zinc/88/17/49/436881749.db2.gz QZYGHOFPIUOFPK-UHFFFAOYSA-N 0 1 340.384 0.203 20 5 ECBDMN CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000293612457 436893748 /nfs/dbraw/zinc/89/37/48/436893748.db2.gz BMVFOJJMNYQDNC-SNVBAGLBSA-N 0 1 343.361 0.406 20 5 ECBDMN O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000274935364 436897197 /nfs/dbraw/zinc/89/71/97/436897197.db2.gz CNIXMXVXMGCPKM-UHFFFAOYSA-N 0 1 336.348 0.632 20 5 ECBDMN CC(=O)NCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H](C)C(=O)[O-] ZINC000263387214 436964142 /nfs/dbraw/zinc/96/41/42/436964142.db2.gz YFCPPBJKZZATPE-LLVKDONJSA-N 0 1 339.348 0.885 20 5 ECBDMN CCO[C@@H]1C[C@](NC(=O)c2n[nH]cc2[N+](=O)[O-])(C(=O)OC)C1(C)C ZINC000275453707 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0.338 20 5 ECBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCO[C@H](C3CC3)C2)n1 ZINC000599279034 439414638 /nfs/dbraw/zinc/41/46/38/439414638.db2.gz MXKNKCOAKXGUDS-KOLCDFICSA-N 0 1 330.366 0.564 20 5 ECBDMN CC1=CCN(CCNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599281858 439417093 /nfs/dbraw/zinc/41/70/93/439417093.db2.gz WNRYDKNRNJZYQF-UHFFFAOYSA-N 0 1 329.382 0.259 20 5 ECBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@](C)(O)C2CCCCC2)n1 ZINC000599290207 439422313 /nfs/dbraw/zinc/42/23/13/439422313.db2.gz SJMPNRDFXSNSNE-CYBMUJFWSA-N 0 1 346.409 0.938 20 5 ECBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCCC23CCOCC3)n1 ZINC000599298896 439424149 /nfs/dbraw/zinc/42/41/49/439424149.db2.gz APBYIFRCQGGHOC-LLVKDONJSA-N 0 1 344.393 0.956 20 5 ECBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](CO)C2CCCCC2)n1 ZINC000599313313 439427524 /nfs/dbraw/zinc/42/75/24/439427524.db2.gz ICWJZWOFUHVVNM-NSHDSACASA-N 0 1 346.409 0.795 20 5 ECBDMN COC(=O)[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599323041 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348.359 0.119 20 5 ECBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594316248 439541048 /nfs/dbraw/zinc/54/10/48/439541048.db2.gz RHABPEDBTQLSRD-QWHCGFSZSA-N 0 1 348.359 0.119 20 5 ECBDMN O=C(NC[C@H]1COCCN1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599896385 439572626 /nfs/dbraw/zinc/57/26/26/439572626.db2.gz AVDOUHKROHGUFW-QMMMGPOBSA-N 0 1 342.739 0.291 20 5 ECBDMN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000609668199 439582729 /nfs/dbraw/zinc/58/27/29/439582729.db2.gz JLGFVBRAAKWWRE-GFCCVEGCSA-N 0 1 337.380 0.059 20 5 ECBDMN O=C(N[C@H]1CCN(CCN2CCOCC2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000609668383 439582863 /nfs/dbraw/zinc/58/28/63/439582863.db2.gz NSLPRVMTRMVAAF-LBPRGKRZSA-N 0 1 337.380 0.059 20 5 ECBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)[N-][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000594748978 439600459 /nfs/dbraw/zinc/60/04/59/439600459.db2.gz QTUDIDAPWBXTSR-QWRGUYRKSA-N 0 1 326.378 0.895 20 5 ECBDMN 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/nfs/dbraw/zinc/71/58/29/744715829.db2.gz YWOWJPKPFQLTKH-ZIAGYGMSSA-N 0 1 349.343 0.310 20 5 ECBDMN CC(C)(C)c1ocnc1C(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000999734849 744877443 /nfs/dbraw/zinc/87/74/43/744877443.db2.gz SXOSESQHHZYWNE-NXEZZACHSA-N 0 1 336.348 0.578 20 5 ECBDMN O=C(NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccnc(F)c1 ZINC000978639794 746532062 /nfs/dbraw/zinc/53/20/62/746532062.db2.gz FPSBIGHASJKCFD-SASUGWTJSA-N 0 1 336.323 0.511 20 5 ECBDMN Cc1cccnc1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000978790429 746715454 /nfs/dbraw/zinc/71/54/54/746715454.db2.gz ADLUSGGVBGNYOD-YVECIDJPSA-N 0 1 332.360 0.680 20 5 ECBDMN Cc1c(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)ccn1C ZINC000978801263 746721037 /nfs/dbraw/zinc/72/10/37/746721037.db2.gz YKYREZUORWMWGP-ZMJPVWNMSA-N 0 1 334.376 0.623 20 5 ECBDMN CCn1cccc1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000978803125 746723554 /nfs/dbraw/zinc/72/35/54/746723554.db2.gz 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Cc1cncc(CCC(=O)N2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001001807582 746737284 /nfs/dbraw/zinc/73/72/84/746737284.db2.gz PEVICDJSBGDSNG-HUUCEWRRSA-N 0 1 346.387 0.562 20 5 ECBDMN COc1ccccc1C(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001001809193 746738109 /nfs/dbraw/zinc/73/81/09/746738109.db2.gz BAAMMENFGANNJW-CHWSQXEVSA-N 0 1 333.344 0.549 20 5 ECBDMN O=C(NCC1CN(C(=O)c2ccn3ccccc23)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001001809682 746739094 /nfs/dbraw/zinc/73/90/94/746739094.db2.gz ZYPCQVGCVUAWLV-UKRRQHHQSA-N 0 1 342.355 0.793 20 5 ECBDMN CN(C)c1cccc(C(=O)N2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001001810710 746739699 /nfs/dbraw/zinc/73/96/99/746739699.db2.gz QBLYPZRUZZSMGY-HUUCEWRRSA-N 0 1 346.387 0.606 20 5 ECBDMN CCc1cccc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC000978925330 746878192 /nfs/dbraw/zinc/87/81/92/746878192.db2.gz HSFVPBYBGUIVQA-CQROYNQRSA-N 0 1 346.387 0.934 20 5 ECBDMN COc1cc(C(=O)NCC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)sn1 ZINC001002219526 747096993 /nfs/dbraw/zinc/09/69/93/747096993.db2.gz OXBBIIQRSMZJAW-RKDXNWHRSA-N 0 1 340.361 0.005 20 5 ECBDMN CCn1cnc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000979061771 747108486 /nfs/dbraw/zinc/10/84/86/747108486.db2.gz WQGXRVHVCJDELO-LSCVPOLPSA-N 0 1 335.364 0.193 20 5 ECBDMN Cc1n[nH]c(C)c1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000979132650 747208798 /nfs/dbraw/zinc/20/87/98/747208798.db2.gz JSLBYEQOCKNIQF-WRWGMCAJSA-N 0 1 335.364 0.316 20 5 ECBDMN Cc1[nH]nc(Cl)c1C(=O)NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001002352065 747240933 /nfs/dbraw/zinc/24/09/33/747240933.db2.gz SAJZZMINLJRJFP-RKDXNWHRSA-N 0 1 341.755 0.225 20 5 ECBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCC(N(C)S(C)(=O)=O)CC1 ZINC001168060939 747639981 /nfs/dbraw/zinc/63/99/81/747639981.db2.gz UQJXXALCGGTADN-UHFFFAOYSA-N 0 1 345.425 0.456 20 5 ECBDMN CCc1cc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)[nH]n1 ZINC000979521078 747984196 /nfs/dbraw/zinc/98/41/96/747984196.db2.gz 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ZINC001013980635 762016170 /nfs/dbraw/zinc/01/61/70/762016170.db2.gz WPOKQCPLEHTJJL-WZOFNLEDSA-N 0 1 347.375 0.243 20 5 ECBDMN Cn1cnc([N+](=O)[O-])c1CN1CCCN(C(=O)Cc2ccn[nH]2)CC1 ZINC000980885217 750304232 /nfs/dbraw/zinc/30/42/32/750304232.db2.gz QBDIFHZRYCZDJU-UHFFFAOYSA-N 0 1 347.379 0.328 20 5 ECBDMN CCn1cc(CN2CCCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)nn1 ZINC000981763764 751075229 /nfs/dbraw/zinc/07/52/29/751075229.db2.gz KIVGJRQOBZDPNJ-ZIAGYGMSSA-N 0 1 348.407 0.388 20 5 ECBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCCN(Cc1ncccn1)C2 ZINC000981765145 751075988 /nfs/dbraw/zinc/07/59/88/751075988.db2.gz RCDSSYZGQPQZIO-CHWSQXEVSA-N 0 1 331.376 0.566 20 5 ECBDMN Cc1nn[nH]c1C(=O)N(C)CCN(C)c1cc(C)c([N+](=O)[O-])cn1 ZINC001105515073 753776403 /nfs/dbraw/zinc/77/64/03/753776403.db2.gz RSZANHPBTJVRHT-UHFFFAOYSA-N 0 1 333.352 0.933 20 5 ECBDMN Cc1ccnc(N(C)CCN(C)C(=O)CCc2c[nH]nn2)c1[N+](=O)[O-] ZINC001105569379 753840902 /nfs/dbraw/zinc/84/09/02/753840902.db2.gz XMFWVSSRWDFUKJ-UHFFFAOYSA-N 0 1 347.379 0.944 20 5 ECBDMN Cc1ccnc(N(C)CCN(C)C(=O)CCc2cnn[nH]2)c1[N+](=O)[O-] ZINC001105569379 753840907 /nfs/dbraw/zinc/84/09/07/753840907.db2.gz XMFWVSSRWDFUKJ-UHFFFAOYSA-N 0 1 347.379 0.944 20 5 ECBDMN Cc1nc(C(=O)N2CC3(C2)CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C3)c[nH]1 ZINC001010587334 756282157 /nfs/dbraw/zinc/28/21/57/756282157.db2.gz HBRQRZDSMFBPQE-DGCLKSJQSA-N 0 1 347.375 0.448 20 5 ECBDMN Cc1c[nH]c(C(=O)N2CCCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)n1 ZINC001010658097 756360975 /nfs/dbraw/zinc/36/09/75/756360975.db2.gz SSCXVSWDRYMLGB-VXGBXAGGSA-N 0 1 347.375 0.448 20 5 ECBDMN Cn1cncc1C(=O)N1CC2(C1)CCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001010724454 756446171 /nfs/dbraw/zinc/44/61/71/756446171.db2.gz SXWVYTXWNUZDOB-VXGBXAGGSA-N 0 1 347.375 0.150 20 5 ECBDMN CCn1cc(C(=O)N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C)n1 ZINC001011113115 756946959 /nfs/dbraw/zinc/94/69/59/756946959.db2.gz HSLRHAXQNDHORY-DGCLKSJQSA-N 0 1 335.364 0.161 20 5 ECBDMN 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DPSZRIDFQVUNQB-WZOFNLEDSA-N 0 1 348.359 0.805 20 5 ECBDMN Cc1nc(C(=O)N2CC3(C2)CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C3)co1 ZINC001010630051 756325764 /nfs/dbraw/zinc/32/57/64/756325764.db2.gz XYYDQOXZQNJURC-DGCLKSJQSA-N 0 1 348.359 0.713 20 5 ECBDMN Cc1ccc(-c2noc(CNCCNC(=O)[C@@H]3CC3[N+](=O)[O-])n2)cc1 ZINC001126939238 756806726 /nfs/dbraw/zinc/80/67/26/756806726.db2.gz TUYCZICKIHFTGD-CHWSQXEVSA-N 0 1 345.359 0.916 20 5 ECBDMN Cn1cc(CN2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(C(F)F)n1 ZINC001030292716 762500458 /nfs/dbraw/zinc/50/04/58/762500458.db2.gz UCDGNYSDYBOVBY-NXEZZACHSA-N 0 1 329.307 0.323 20 5 ECBDMN O=C(NCCNCc1nc(-c2ccsc2)no1)[C@@H]1CC1[N+](=O)[O-] ZINC001126943074 756909149 /nfs/dbraw/zinc/90/91/49/756909149.db2.gz JYUJPSOEFSQGPT-NXEZZACHSA-N 0 1 337.361 0.669 20 5 ECBDMN O=C(NC1CN(Cc2nc3ccc(F)cc3o2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030293446 762505347 /nfs/dbraw/zinc/50/53/47/762505347.db2.gz KJQWYSIUDBZREH-ZYHUDNBSSA-N 0 1 334.307 0.933 20 5 ECBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CN(CC(F)(F)C(F)F)C[C@H]2C1 ZINC001048812148 757073668 /nfs/dbraw/zinc/07/36/68/757073668.db2.gz CKUXNYWRYGRWEX-UTINFBMNSA-N 0 1 339.289 0.942 20 5 ECBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CN(Cc3nnc(C4CC4)[nH]3)C[C@H]2C1 ZINC001048814265 757081672 /nfs/dbraw/zinc/08/16/72/757081672.db2.gz BUTWYJPVSWNCNO-YVECIDJPSA-N 0 1 346.391 0.238 20 5 ECBDMN Cn1cc(C(=O)N[C@H]2C[C@@H](NCc3c([N+](=O)[O-])ncn3C)C2)cn1 ZINC001021820914 757954383 /nfs/dbraw/zinc/95/43/83/757954383.db2.gz ZRGIMJABCYYWCF-PHIMTYICSA-N 0 1 333.352 0.112 20 5 ECBDMN CC(C)(C)c1nc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)no1 ZINC001022061773 758221987 /nfs/dbraw/zinc/22/19/87/758221987.db2.gz UYUWFYGRRFPYGD-LMLFDSFASA-N 0 1 337.380 0.769 20 5 ECBDMN Cc1n[nH]cc1C(=O)N[C@H]1C[C@@H](NCc2c([N+](=O)[O-])ncn2C)C1 ZINC001022520520 758829282 /nfs/dbraw/zinc/82/92/82/758829282.db2.gz YNFCWFFMWFHKGY-AOOOYVTPSA-N 0 1 333.352 0.410 20 5 ECBDMN CCc1ccc(OCC(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC000991286763 760131994 /nfs/dbraw/zinc/13/19/94/760131994.db2.gz OFEBVTHUMBQESP-HUUCEWRRSA-N 0 1 347.371 0.620 20 5 ECBDMN O=C(NC1CN(C(=O)c2cccc3ncccc32)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991289231 760146799 /nfs/dbraw/zinc/14/67/99/760146799.db2.gz XISKWXJKXVYBKV-UKRRQHHQSA-N 0 1 340.339 0.841 20 5 ECBDMN Cc1ccc(F)c(C(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1F ZINC000991294178 760170504 /nfs/dbraw/zinc/17/05/04/760170504.db2.gz UDOKKNFAXXGEHU-MWLCHTKSSA-N 0 1 339.298 0.879 20 5 ECBDMN Cc1cc(C(=O)N2CC=C(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cnn1 ZINC001017440301 767989872 /nfs/dbraw/zinc/98/98/72/767989872.db2.gz FNFWPWPVRDQCLY-ZIAGYGMSSA-N 0 1 345.359 0.339 20 5 ECBDMN O=C(NC[C@H]1C[C@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1)c1ncn[nH]1 ZINC001046871829 763272973 /nfs/dbraw/zinc/27/29/73/763272973.db2.gz IFOMUEYAVPHKDT-ZKCHVHJHSA-N 0 1 333.308 0.434 20 5 ECBDMN O=C(NC[C@H]1C[C@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1)c1nc[nH]n1 ZINC001046871829 763272976 /nfs/dbraw/zinc/27/29/76/763272976.db2.gz IFOMUEYAVPHKDT-ZKCHVHJHSA-N 0 1 333.308 0.434 20 5 ECBDMN Cc1nn[nH]c1C(=O)N(CCO)CCNc1nccc(C)c1[N+](=O)[O-] ZINC001111534479 768294081 /nfs/dbraw/zinc/29/40/81/768294081.db2.gz AOAXMGDHYQFDLZ-UHFFFAOYSA-N 0 1 349.351 0.271 20 5 ECBDMN CN1CC(C(=O)NC2CN(Cc3ccccc3[N+](=O)[O-])C2)=NC1=O ZINC001030900298 766296667 /nfs/dbraw/zinc/29/66/67/766296667.db2.gz XSXLEFPFRLUBRK-UHFFFAOYSA-N 0 1 331.332 0.648 20 5 ECBDMN O=C(CN1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)Nc1ccccc1 ZINC001031661846 766379045 /nfs/dbraw/zinc/37/90/45/766379045.db2.gz KIXSEPYRAIPJPM-ZIAGYGMSSA-N 0 1 332.360 0.338 20 5 ECBDMN COCc1nc(CN2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cs1 ZINC001031662042 766379693 /nfs/dbraw/zinc/37/96/93/766379693.db2.gz RLSXHNWJHIJIJM-VXGBXAGGSA-N 0 1 340.405 0.503 20 5 ECBDMN CCc1nnc(CN2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)s1 ZINC001031662333 766380367 /nfs/dbraw/zinc/38/03/67/766380367.db2.gz BQDNLSGONCPCCL-NXEZZACHSA-N 0 1 325.394 0.314 20 5 ECBDMN O=C(NCC1CN(Cc2cc(=O)[nH]c(C3CC3)n2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031662747 766383030 /nfs/dbraw/zinc/38/30/30/766383030.db2.gz KXMNROYJWADCBC-CHWSQXEVSA-N 0 1 347.375 0.273 20 5 ECBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CN(C(=O)C3CCOCC3)C2)C1 ZINC001018677648 769750895 /nfs/dbraw/zinc/75/08/95/769750895.db2.gz MHPCNYMPLQVAOI-CHWSQXEVSA-N 0 1 337.376 0.139 20 5 ECBDMN O=C(CCc1ccco1)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001018772366 769910167 /nfs/dbraw/zinc/91/01/67/769910167.db2.gz MLZDKNLVLJUXOX-ZIAGYGMSSA-N 0 1 347.371 0.938 20 5 ECBDMN Cc1c(Cl)cncc1C(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000993988586 769969655 /nfs/dbraw/zinc/96/96/55/769969655.db2.gz WRDLTMSGJDUXOK-BXKDBHETSA-N 0 1 338.751 0.649 20 5 ECBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CN(C(=O)C3CC(F)(F)C3)C2)C1 ZINC001018925522 770288173 /nfs/dbraw/zinc/28/81/73/770288173.db2.gz UTAYGBBWBBMAFD-GHMZBOCLSA-N 0 1 343.330 0.758 20 5 ECBDMN Cc1nn[nH]c1C(=O)N1CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC001055975054 770413652 /nfs/dbraw/zinc/41/36/52/770413652.db2.gz YHIKQLFPLWPFLY-UHFFFAOYSA-N 0 1 331.336 0.687 20 5 ECBDMN O=C(Cc1ccccc1)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001019171386 770989689 /nfs/dbraw/zinc/98/96/89/770989689.db2.gz VGAJSARAWQLOIQ-HUUCEWRRSA-N 0 1 343.383 0.955 20 5 ECBDMN Cn1cnc([N+](=O)[O-])c1CN[C@H]1C[C@H](NC(=O)Cc2cccnc2)C1 ZINC001020079444 772133558 /nfs/dbraw/zinc/13/35/58/772133558.db2.gz TWTXAEXTBBJZFB-JOCQHMNTSA-N 0 1 344.375 0.703 20 5 ECBDMN O=C(Cc1ncn[nH]1)N1CCCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001057175434 772217679 /nfs/dbraw/zinc/21/76/79/772217679.db2.gz ISQPHFLRUWONEH-UHFFFAOYSA-N 0 1 331.336 0.389 20 5 ECBDMN O=C(Cc1c[nH]cn1)N1CCCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001057239978 772329278 /nfs/dbraw/zinc/32/92/78/772329278.db2.gz HBWWRPHWGZXHJN-UHFFFAOYSA-N 0 1 330.348 0.994 20 5 ECBDMN CC(C)(CC(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001057504530 772693030 /nfs/dbraw/zinc/69/30/30/772693030.db2.gz ZVUOXXPOKFHTHZ-CHWSQXEVSA-N 0 1 341.408 0.415 20 5 ECBDMN O=C(NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-])c1occc1Cl ZINC001057544459 772740647 /nfs/dbraw/zinc/74/06/47/772740647.db2.gz DARLYMUBZRHBLH-PSASIEDQSA-N 0 1 345.739 0.149 20 5 ECBDMN CC(C)(C(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCC1 ZINC001057545268 772741106 /nfs/dbraw/zinc/74/11/06/772741106.db2.gz YXLSCRSGMMFDHM-CHWSQXEVSA-N 0 1 341.408 0.415 20 5 ECBDMN Cc1ccc(C(=O)NCCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])cc1C ZINC001057545650 772741148 /nfs/dbraw/zinc/74/11/48/772741148.db2.gz JHIUJSPXEGWSPH-HUUCEWRRSA-N 0 1 349.387 0.519 20 5 ECBDMN Cc1nc(N2CCC(NC(=O)c3ncn[nH]3)CC2)ccc1[N+](=O)[O-] ZINC001057889493 773138822 /nfs/dbraw/zinc/13/88/22/773138822.db2.gz UGEAJVANHQDEMJ-UHFFFAOYSA-N 0 1 331.336 0.815 20 5 ECBDMN Cc1nc(N2CCC(NC(=O)c3nc[nH]n3)CC2)ccc1[N+](=O)[O-] ZINC001057889493 773138825 /nfs/dbraw/zinc/13/88/25/773138825.db2.gz UGEAJVANHQDEMJ-UHFFFAOYSA-N 0 1 331.336 0.815 20 5 ECBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C(C)(C)COC)C1 ZINC001079747131 776793986 /nfs/dbraw/zinc/79/39/86/776793986.db2.gz UZJKPALERYWYMU-VXGBXAGGSA-N 0 1 327.381 0.384 20 5 ECBDMN C/C=C(/C)C(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001070062270 790481911 /nfs/dbraw/zinc/48/19/11/790481911.db2.gz MXOPHTBPPSFNRV-VZAOXQLQSA-N 0 1 325.365 0.399 20 5 ECBDMN CCN(C(=O)CCc1cnccn1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001080536623 777981647 /nfs/dbraw/zinc/98/16/47/777981647.db2.gz QKZDAFRWFYTTRH-ZIAGYGMSSA-N 0 1 347.375 0.134 20 5 ECBDMN O=C(CCC1CC1)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001070113494 790649931 /nfs/dbraw/zinc/64/99/31/790649931.db2.gz ZUIQPPVIVODHCR-CHWSQXEVSA-N 0 1 339.392 0.623 20 5 ECBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(Cc2nc(-c3ccco3)no2)C1 ZINC001042705066 780667031 /nfs/dbraw/zinc/66/70/31/780667031.db2.gz JMVBXZALTXZBHJ-GHMZBOCLSA-N 0 1 347.331 0.637 20 5 ECBDMN CCN(C(=O)CC1CCOCC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079521428 781217898 /nfs/dbraw/zinc/21/78/98/781217898.db2.gz AFZFTWXMMFTVIF-ZIAGYGMSSA-N 0 1 339.392 0.528 20 5 ECBDMN Cc1cnc(CN2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)nc1 ZINC001072725424 788652038 /nfs/dbraw/zinc/65/20/38/788652038.db2.gz MLRUFEWWLHJTOG-CHWSQXEVSA-N 0 1 331.376 0.485 20 5 ECBDMN CCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(=O)CSC)CC1 ZINC001069150502 791744043 /nfs/dbraw/zinc/74/40/43/791744043.db2.gz OPKZARVRWZIACR-GHMZBOCLSA-N 0 1 329.422 0.902 20 5 ECBDMN Cc1c(C(=O)N(C)CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cnn1C ZINC001066829301 792206793 /nfs/dbraw/zinc/20/67/93/792206793.db2.gz SVHSGPUEJFBPNX-DGCLKSJQSA-N 0 1 337.380 0.314 20 5 ECBDMN CCCCC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001068311516 793020285 /nfs/dbraw/zinc/02/02/85/793020285.db2.gz LQYKYMCWPCFDEW-VXGBXAGGSA-N 0 1 325.365 0.282 20 5 ECBDMN Cc1cn(C)nc1C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001067385966 793072472 /nfs/dbraw/zinc/07/24/72/793072472.db2.gz TUKJIRNMDNBVNU-VXGBXAGGSA-N 0 1 337.380 0.314 20 5 ECBDMN Cc1ccncc1CC(=O)N(C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] 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611170224 /nfs/dbraw/zinc/17/02/24/611170224.db2.gz XBZAZXMMZHWLHK-TZMCWYRMSA-N 0 1 334.376 0.894 20 5 ECBDMN O=C(NCC1CCN(C(=O)C2(CF)CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000949459395 611988647 /nfs/dbraw/zinc/98/86/47/611988647.db2.gz UWZIUQKOIUAVLY-VXGBXAGGSA-N 0 1 327.356 0.756 20 5 ECBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(C(=O)Cc2cncnc2)CC1 ZINC000953927214 612455075 /nfs/dbraw/zinc/45/50/75/612455075.db2.gz WGTVOOPHOYRAEU-ZIAGYGMSSA-N 0 1 347.375 0.134 20 5 ECBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(C(=O)c2cccc(=O)[nH]2)CC1 ZINC000953927251 612455197 /nfs/dbraw/zinc/45/51/97/612455197.db2.gz XXFKPOWUASLUTN-DGCLKSJQSA-N 0 1 348.359 0.515 20 5 ECBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(C(=O)c2ccn(C)c2)CC1 ZINC000953927206 612455523 /nfs/dbraw/zinc/45/55/23/612455523.db2.gz VZJIBMNUHGQSKK-ZIAGYGMSSA-N 0 1 334.376 0.753 20 5 ECBDMN CCn1nc(C)cc1C(=O)N(C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000955423017 612567863 /nfs/dbraw/zinc/56/78/63/612567863.db2.gz FWKBPOOKFLDMGF-VXGBXAGGSA-N 0 1 335.364 0.159 20 5 ECBDMN CN(C(=O)c1cn(C)nc1Cl)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954788089 612683425 /nfs/dbraw/zinc/68/34/25/612683425.db2.gz XJVIOGMFFFBMBI-PSASIEDQSA-N 0 1 341.755 0.022 20 5 ECBDMN CC(C)n1nccc1C(=O)N1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954239396 612788694 /nfs/dbraw/zinc/78/86/94/612788694.db2.gz FXXUJOSYMASRIV-DGCLKSJQSA-N 0 1 335.364 0.412 20 5 ECBDMN COc1ccc(CC(=O)N2CC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC000954239454 612789093 /nfs/dbraw/zinc/78/90/93/612789093.db2.gz ILIVTRKTAOITBY-HUUCEWRRSA-N 0 1 347.371 0.572 20 5 ECBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2c[nH]nc2C2CC2)C1 ZINC000954239438 612789251 /nfs/dbraw/zinc/78/92/51/612789251.db2.gz HTZADXIGDXUPKU-ZYHUDNBSSA-N 0 1 333.348 0.235 20 5 ECBDMN Cc1cc(C)c(C(=O)N2CC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(C)n1 ZINC000954240906 612790698 /nfs/dbraw/zinc/79/06/98/612790698.db2.gz ZHMFVHRFKJTVFK-ZIAGYGMSSA-N 0 1 346.387 0.955 20 5 ECBDMN CCc1cnccc1C(=O)N1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954242482 612792156 /nfs/dbraw/zinc/79/21/56/612792156.db2.gz RFDLJQMYTVXEEF-ZIAGYGMSSA-N 0 1 332.360 0.592 20 5 ECBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2cnn(C)c2Cl)C1 ZINC000954243034 612792795 /nfs/dbraw/zinc/79/27/95/612792795.db2.gz YRYBPMHZKWQKKE-PSASIEDQSA-N 0 1 341.755 0.022 20 5 ECBDMN COc1cccc(CC(=O)N2CC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000954244389 612794043 /nfs/dbraw/zinc/79/40/43/612794043.db2.gz YYGVGXWPDILFEA-HUUCEWRRSA-N 0 1 347.371 0.572 20 5 ECBDMN CC1(NC(=O)c2ccccn2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000956265130 612805130 /nfs/dbraw/zinc/80/51/30/612805130.db2.gz JCKQVKYEUMLVCM-DGCLKSJQSA-N 0 1 332.360 0.858 20 5 ECBDMN CC1(NC(=O)c2cccnc2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000956267359 612805699 /nfs/dbraw/zinc/80/56/99/612805699.db2.gz FICPXNIQARLCIZ-CHWSQXEVSA-N 0 1 332.360 0.858 20 5 ECBDMN Cn1cccc1C(=O)NC1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000956296795 612815910 /nfs/dbraw/zinc/81/59/10/612815910.db2.gz WUUATMSZBJVOKP-DGCLKSJQSA-N 0 1 334.376 0.801 20 5 ECBDMN Cc1ccnc(C(=O)NC2(C)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000956354745 612849254 /nfs/dbraw/zinc/84/92/54/612849254.db2.gz ZCRFBCQWGMCJTB-VXGBXAGGSA-N 0 1 347.375 0.561 20 5 ECBDMN CN(C(=O)c1ccc(C2CC2)cn1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000955007926 612850065 /nfs/dbraw/zinc/85/00/65/612850065.db2.gz SCRRXTWMFMJAFL-UKRRQHHQSA-N 0 1 344.371 0.907 20 5 ECBDMN CCn1ccc(C(=O)N2CCC(C)(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000956367430 612859199 /nfs/dbraw/zinc/85/91/99/612859199.db2.gz WWDVWAXNPZSXKW-DGCLKSJQSA-N 0 1 349.391 0.679 20 5 ECBDMN Cc1nnccc1C(=O)N1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000956368067 612859304 /nfs/dbraw/zinc/85/93/04/612859304.db2.gz FLZOZFLYDXYJJK-CHWSQXEVSA-N 0 1 347.375 0.561 20 5 ECBDMN Cc1n[nH]c(C)c1C(=O)N1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000956367372 612859384 /nfs/dbraw/zinc/85/93/84/612859384.db2.gz VKAGXUIPUHFTKQ-VXGBXAGGSA-N 0 1 349.391 0.803 20 5 ECBDMN Cc1ncncc1C(=O)N1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000956369544 612859867 /nfs/dbraw/zinc/85/98/67/612859867.db2.gz XFNDKJPMBJSRHF-DGCLKSJQSA-N 0 1 347.375 0.561 20 5 ECBDMN CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(=O)c2csnn2)CC1 ZINC000956373192 612860567 /nfs/dbraw/zinc/86/05/67/612860567.db2.gz XZTZXJFEHUWTRJ-PSASIEDQSA-N 0 1 339.377 0.314 20 5 ECBDMN CCn1ncc(C(=O)N(C)C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1C ZINC000955099951 612901392 /nfs/dbraw/zinc/90/13/92/612901392.db2.gz XFDHSDFTOVAABE-DGCLKSJQSA-N 0 1 335.364 0.159 20 5 ECBDMN O=C(Cn1cncn1)N[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC001023059947 736450435 /nfs/dbraw/zinc/45/04/35/736450435.db2.gz XMJSBTYXEPLXLH-PHIMTYICSA-N 0 1 336.377 0.685 20 5 ECBDMN O=C(N[C@@H]1[C@H]2CN(Cc3cccc(Cl)n3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775189 739943289 /nfs/dbraw/zinc/94/32/89/739943289.db2.gz BXTIGRHPEKZYCN-DIACKHNESA-N 0 1 336.779 0.947 20 5 ECBDMN CC(C)(C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1c[nH]cn1 ZINC000974115742 740958208 /nfs/dbraw/zinc/95/82/08/740958208.db2.gz WHONPZRGWHTHRR-LMLFDSFASA-N 0 1 335.364 0.116 20 5 ECBDMN CCCCC1(C(=O)N(CCO)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001058724356 741601489 /nfs/dbraw/zinc/60/14/89/741601489.db2.gz RTVHJAQTTMBYCS-CHWSQXEVSA-N 0 1 341.408 0.559 20 5 ECBDMN Cc1nocc1C(=O)N[C@H]1C[C@H](NCc2c([N+](=O)[O-])ncn2C)C1 ZINC001020537885 751774736 /nfs/dbraw/zinc/77/47/36/751774736.db2.gz LBRBQIJTITUNCL-MGCOHNPYSA-N 0 1 334.336 0.675 20 5 ECBDMN Cc1cc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]32)c(C)o1 ZINC000976160491 743636833 /nfs/dbraw/zinc/63/68/33/743636833.db2.gz SPWRUZFFKYZVEJ-RGDJUOJXSA-N 0 1 333.344 0.748 20 5 ECBDMN CCn1cccc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000976479993 743991063 /nfs/dbraw/zinc/99/10/63/743991063.db2.gz IPZQTIZLIWJZOH-BLUODKFWSA-N 0 1 332.360 0.360 20 5 ECBDMN O=C(N[C@@H]1[C@H]2CN(C(=O)c3ccccc3F)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC000976473500 744001429 /nfs/dbraw/zinc/00/14/29/744001429.db2.gz JRGIURAWTBKEHL-BLUODKFWSA-N 0 1 333.319 0.678 20 5 ECBDMN O=C(Cc1ccccc1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000976476335 744004044 /nfs/dbraw/zinc/00/40/44/744004044.db2.gz DKMLLYYKKWAXFH-SSZWKKLZSA-N 0 1 329.356 0.467 20 5 ECBDMN O=C(CCc1ccncc1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000976476196 744004096 /nfs/dbraw/zinc/00/40/96/744004096.db2.gz CQRNRAHWFYBVDY-SSZWKKLZSA-N 0 1 344.371 0.252 20 5 ECBDMN O=C(CCc1ccccn1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000976476824 744004611 /nfs/dbraw/zinc/00/46/11/744004611.db2.gz FVAUCKXJMGHMTF-SSZWKKLZSA-N 0 1 344.371 0.252 20 5 ECBDMN CC(C)Cn1cc(C(=O)NC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC000998433422 744165742 /nfs/dbraw/zinc/16/57/42/744165742.db2.gz QUEJUVNCEAYGGT-CHWSQXEVSA-N 0 1 335.364 0.145 20 5 ECBDMN CCOc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC000999494280 744721969 /nfs/dbraw/zinc/72/19/69/744721969.db2.gz CIZXCPONZFPPHU-ZIAGYGMSSA-N 0 1 333.344 0.691 20 5 ECBDMN COc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1OC ZINC000999526408 744739511 /nfs/dbraw/zinc/73/95/11/744739511.db2.gz WKDKKYYJMZZQJE-VXGBXAGGSA-N 0 1 349.343 0.310 20 5 ECBDMN COc1cccc(CC(=O)NC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000999573529 744768704 /nfs/dbraw/zinc/76/87/04/744768704.db2.gz QXJCYTBSRAUMAY-ZIAGYGMSSA-N 0 1 333.344 0.230 20 5 ECBDMN O=C(N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ncccc1F ZINC000978794626 746699769 /nfs/dbraw/zinc/69/97/69/746699769.db2.gz HFPINDWQACBBDU-DTHBNOIPSA-N 0 1 336.323 0.511 20 5 ECBDMN Cc1nnsc1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000978790433 746715486 /nfs/dbraw/zinc/71/54/86/746715486.db2.gz AIKRDDFOUHJRMK-UTINFBMNSA-N 0 1 339.377 0.136 20 5 ECBDMN O=C(NCC1CN(C(=O)C2(c3ccccc3)CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001001802058 746734251 /nfs/dbraw/zinc/73/42/51/746734251.db2.gz IEJNIAIKUIHTEM-HUUCEWRRSA-N 0 1 343.383 0.958 20 5 ECBDMN CCn1cc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC000978795286 746735572 /nfs/dbraw/zinc/73/55/72/746735572.db2.gz OGMXRYLEWNPESF-GWNIPJSYSA-N 0 1 335.364 0.193 20 5 ECBDMN O=C(NCC1CN(C(=O)c2cc3c([nH]2)CCCC3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001001810520 746739612 /nfs/dbraw/zinc/73/96/12/746739612.db2.gz OHVNQOWZOGJXAM-IUODEOHRSA-N 0 1 346.387 0.747 20 5 ECBDMN COc1ccc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC000978817168 746742065 /nfs/dbraw/zinc/74/20/65/746742065.db2.gz VNBCCDHSRPOLQW-GWNIPJSYSA-N 0 1 348.359 0.380 20 5 ECBDMN CCc1c(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cnn1C ZINC000979014667 747060073 /nfs/dbraw/zinc/06/00/73/747060073.db2.gz PXMBYKFKYANDFP-FBKDDSFISA-N 0 1 349.391 0.272 20 5 ECBDMN O=C(NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccc(=O)[nH]c1 ZINC000979289930 747520066 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CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(=O)c2ccncn2)CC1 ZINC000956366740 612858876 /nfs/dbraw/zinc/85/88/76/612858876.db2.gz KFKHPDKFSVTBSY-ZYHUDNBSSA-N 0 1 333.348 0.253 20 5 ECBDMN CN(C(=O)c1c[nH]c2ncccc12)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954340043 612865210 /nfs/dbraw/zinc/86/52/10/612865210.db2.gz BXUSZGGLGTTXPP-DGCLKSJQSA-N 0 1 343.343 0.511 20 5 ECBDMN CN(C(=O)c1nn(C)cc1Cl)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954360621 612876214 /nfs/dbraw/zinc/87/62/14/612876214.db2.gz DOZNZIZCCBSKOU-PSASIEDQSA-N 0 1 341.755 0.022 20 5 ECBDMN CCn1cnc(C(=O)NC2(C)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC000956427960 612880109 /nfs/dbraw/zinc/88/01/09/612880109.db2.gz ARFHZYQFMNTYAQ-DGCLKSJQSA-N 0 1 349.391 0.679 20 5 ECBDMN CN(C)c1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC000973258030 738993121 /nfs/dbraw/zinc/99/31/21/738993121.db2.gz QYTBZUMZUCWWBG-QHSBEEBCSA-N 0 1 346.387 0.795 20 5 ECBDMN COc1ccc(CC(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nc1 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/nfs/dbraw/zinc/95/00/40/740950040.db2.gz OSVCRZHFZYUZLC-ZMJPVWNMSA-N 0 1 345.355 0.664 20 5 ECBDMN COc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc(C)n1 ZINC000974115730 740958348 /nfs/dbraw/zinc/95/83/48/740958348.db2.gz VSKLTYBHNOMGEY-YVECIDJPSA-N 0 1 348.359 0.441 20 5 ECBDMN Cn1cc(Cl)cc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000974116496 740959646 /nfs/dbraw/zinc/95/96/46/740959646.db2.gz PNVFZVJBYZVNHG-LMLFDSFASA-N 0 1 340.767 0.721 20 5 ECBDMN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cccc2c1CCOC2 ZINC000996912923 743028604 /nfs/dbraw/zinc/02/86/04/743028604.db2.gz TVKPBRMWNVKUAR-HUUCEWRRSA-N 0 1 345.355 0.365 20 5 ECBDMN O=C(N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21)c1ccc(Cl)o1 ZINC000976171941 743629333 /nfs/dbraw/zinc/62/93/33/743629333.db2.gz JYHJIBFCAGDSSG-HHKWLRISSA-N 0 1 339.735 0.785 20 5 ECBDMN Cc1ncccc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000976481173 743991922 /nfs/dbraw/zinc/99/19/22/743991922.db2.gz HNIPKBYEDRPZDH-RGDJUOJXSA-N 0 1 330.344 0.242 20 5 ECBDMN CC(C)(C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)(F)F ZINC000976485289 743996495 /nfs/dbraw/zinc/99/64/95/743996495.db2.gz YPDLNURIJPLWAI-NZFPMDFQSA-N 0 1 345.346 0.906 20 5 ECBDMN CC(C)c1n[nH]cc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000976477618 744006312 /nfs/dbraw/zinc/00/63/12/744006312.db2.gz MVKASYBYKWLZCG-CGUBKOMSSA-N 0 1 347.375 0.385 20 5 ECBDMN O=C(CC1CC(F)(F)C1)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21 ZINC000976720142 744267305 /nfs/dbraw/zinc/26/73/05/744267305.db2.gz GDKJPTPVGXNACC-HMUNZLOLSA-N 0 1 343.330 0.660 20 5 ECBDMN COc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]32)cc1 ZINC000977167647 744719397 /nfs/dbraw/zinc/71/93/97/744719397.db2.gz PXBMCWAKXBLJIC-QMIVOQANSA-N 0 1 345.355 0.547 20 5 ECBDMN O=C(Cc1ccccc1F)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21 ZINC000977183257 744734032 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ZINC001001810846 746739801 /nfs/dbraw/zinc/73/98/01/746739801.db2.gz UDGLXRIBEPFCCJ-VXGBXAGGSA-N 0 1 327.356 0.899 20 5 ECBDMN Cc1c[nH]nc1C(=O)N1CCC(CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000988522935 752239571 /nfs/dbraw/zinc/23/95/71/752239571.db2.gz PKVCSCKAYMEETD-CHWSQXEVSA-N 0 1 349.391 0.694 20 5 ECBDMN Cc1ccc(CC(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC000979736518 748314015 /nfs/dbraw/zinc/31/40/15/748314015.db2.gz CMUYAFLTLKRPOL-HBJVGIJOSA-N 0 1 335.360 0.807 20 5 ECBDMN O=C(N[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccc(F)nc1 ZINC000979738393 748317460 /nfs/dbraw/zinc/31/74/60/748317460.db2.gz JCAMMECKVJRIGU-HJQYOEGKSA-N 0 1 336.323 0.511 20 5 ECBDMN Cc1ncn(C)c1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000979744420 748330504 /nfs/dbraw/zinc/33/05/04/748330504.db2.gz CQEAUPGSISFDER-DDHJBXDOSA-N 0 1 335.364 0.018 20 5 ECBDMN CCc1oncc1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000979744240 748330858 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