smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(Nc2nonc2N)cc1[N+](=O)[O-] ZINC001176360224 914083443 /nfs/dbraw/zinc/08/34/43/914083443.db2.gz MPZYSNCFOSLSQE-UHFFFAOYSA-N 0 1 251.202 1.312 20 5 CDBDMN CC[C@H](COc1nc(C)[nH]c(=O)c1[N+](=O)[O-])OC ZINC001229380797 908142472 /nfs/dbraw/zinc/14/24/72/908142472.db2.gz LJKIIYFPDODTGU-SSDOTTSWSA-N 0 1 257.246 1.203 20 5 CDBDMN CC1=C(Br)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839751001 936923468 /nfs/dbraw/zinc/92/34/68/936923468.db2.gz SINXDCVMGISKMV-VXNVDRBHSA-N 0 1 289.129 1.553 20 5 CDBDMN Cc1cnc(CN[C@@H]2CC[C@H](C[N+](=O)[O-])C2)nc1 ZINC001168963957 927586384 /nfs/dbraw/zinc/58/63/84/927586384.db2.gz QVTNTPJXQHCFFD-WDEREUQCSA-N 0 1 250.302 1.320 20 5 CDBDMN COCc1noc2c1CN([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169020127 927660604 /nfs/dbraw/zinc/66/06/04/927660604.db2.gz INODTMPDXNBRAF-WDEREUQCSA-N 0 1 295.339 1.625 20 5 CDBDMN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1[nH]ncc1F ZINC001152205676 937344334 /nfs/dbraw/zinc/34/43/34/937344334.db2.gz JAWOPTDXYPJPLM-UHFFFAOYSA-N 0 1 294.242 1.396 20 5 CDBDMN Cc1nc(-c2noc(-c3[nH]cnc3[N+](=O)[O-])n2)ccc1F ZINC001212894100 934884056 /nfs/dbraw/zinc/88/40/56/934884056.db2.gz ORGGAQJNXNRDHD-UHFFFAOYSA-N 0 1 290.214 1.877 20 5 CDBDMN O=C(OCc1cncn1CC(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC001122899800 936082120 /nfs/dbraw/zinc/08/21/20/936082120.db2.gz BDHCKWDPRVBOGN-HTQZYQBOSA-N 0 1 293.201 1.154 20 5 CDBDMN CCc1ncc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)[nH]1 ZINC001156538047 938380931 /nfs/dbraw/zinc/38/09/31/938380931.db2.gz IPJBFVOAJFXKLU-UHFFFAOYSA-N 0 1 292.270 1.949 20 5 CDBDMN Cc1cnc(CN)n1-c1ncc(F)cc1[N+](=O)[O-] ZINC001158163354 938588708 /nfs/dbraw/zinc/58/87/08/938588708.db2.gz SOYNACLOLISDJN-UHFFFAOYSA-N 0 1 251.221 1.082 20 5 CDBDMN Cc1ncc([N+](=O)[O-])c(N2CCN(C(C)C)[C@@H](C)C2)n1 ZINC001158494465 938630057 /nfs/dbraw/zinc/63/00/57/938630057.db2.gz JZVGGIJOXHOHBR-JTQLQIEISA-N 0 1 279.344 1.612 20 5 CDBDMN O=[N+]([O-])c1ccc2ccnc(NC[C@H]3COCCN3)c2c1 ZINC001159043297 938696615 /nfs/dbraw/zinc/69/66/15/938696615.db2.gz BTOLMUYYUUZPEL-NSHDSACASA-N 0 1 288.307 1.543 20 5 CDBDMN COC(=O)c1nccnc1Nc1ccccc1[N+](=O)[O-] ZINC001206140409 939985817 /nfs/dbraw/zinc/98/58/17/939985817.db2.gz SSOXDYLWCWJQDM-UHFFFAOYSA-N 0 1 274.236 1.915 20 5 CDBDMN Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2CCC[NH2+]C2)n1 ZINC001218285151 941051730 /nfs/dbraw/zinc/05/17/30/941051730.db2.gz HEWMHHGVJLHCEG-QMMMGPOBSA-N 0 1 253.258 1.135 20 5 CDBDMN C=CC(=O)OC[C@H](C)Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225490009 941868823 /nfs/dbraw/zinc/86/88/23/941868823.db2.gz FFVVHCTWNNYXLH-QMMMGPOBSA-N 0 1 267.237 1.797 20 5 CDBDMN O=[N+]([O-])C[C@H](Oc1cccc2[nH]nnc21)c1cccnc1 ZINC001225991010 941938338 /nfs/dbraw/zinc/93/83/38/941938338.db2.gz QLBHDRHCWCDEEY-LBPRGKRZSA-N 0 1 285.263 1.750 20 5 CDBDMN COC(=O)c1c(O[C@@H]2CCN(C)C2)cccc1[N+](=O)[O-] ZINC001229046969 942411911 /nfs/dbraw/zinc/41/19/11/942411911.db2.gz WFVVRORLSPKAPR-SECBINFHSA-N 0 1 280.280 1.464 20 5 CDBDMN CO[C@H](C)CCOc1nc(C)cc(O)c1[N+](=O)[O-] ZINC001231259214 942836968 /nfs/dbraw/zinc/83/69/68/942836968.db2.gz HKYFCCYKLHAJLA-MRVPVSSYSA-N 0 1 256.258 1.808 20 5 CDBDMN COC(=O)[C@@H]1CC[C@H](Oc2nc(C)cc(O)c2[N+](=O)[O-])C1 ZINC001231265061 942837885 /nfs/dbraw/zinc/83/78/85/942837885.db2.gz WFXVKYZGMDJHCG-BDAKNGLRSA-N 0 1 296.279 1.724 20 5 CDBDMN Cc1cc(=O)c([N+](=O)[O-])c(O[C@H]2CCC[N@H+](C)C2)[n-]1 ZINC001231261254 942839121 /nfs/dbraw/zinc/83/91/21/942839121.db2.gz ZUGJSIXLSZUNDC-VIFPVBQESA-N 0 1 267.285 1.477 20 5 CDBDMN COC(=O)c1cccc2[n-]c(O[C@H](C)C[N+](C)(C)C)nc21 ZINC001234045382 943725837 /nfs/dbraw/zinc/72/58/37/943725837.db2.gz UASWKZLMCPZDCY-SNVBAGLBSA-O 0 1 292.359 1.823 20 5 CDBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCN(C)CC1 ZINC001254550283 947521538 /nfs/dbraw/zinc/52/15/38/947521538.db2.gz HETOKGBURICMRX-LBPRGKRZSA-N 0 1 263.341 1.773 20 5 CDBDMN CN([C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1(C)COC1 ZINC001254602854 947552933 /nfs/dbraw/zinc/55/29/33/947552933.db2.gz JGVMMNLCZDZPAK-ZDUSSCGKSA-N 0 1 262.309 1.783 20 5 CDBDMN O=[N+]([O-])c1ccn(CCN2CC[C@H](c3ncccn3)C2)n1 ZINC001308113989 956473993 /nfs/dbraw/zinc/47/39/93/956473993.db2.gz PANFZFMUBBPHST-NSHDSACASA-N 0 1 288.311 1.071 20 5 CDBDMN Cc1c(CNCC2(C)OCCO2)cccc1[N+](=O)[O-] ZINC001332314301 957514869 /nfs/dbraw/zinc/51/48/69/957514869.db2.gz TTWTVIDYYUMBES-UHFFFAOYSA-N 0 1 266.297 1.756 20 5 CDBDMN Cc1nn(C[N@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)cc1[N+](=O)[O-] ZINC001594489018 959677304 /nfs/dbraw/zinc/67/73/04/959677304.db2.gz NJNYCFOQSMUJFK-SCZZXKLOSA-N 0 1 282.300 1.242 20 5 CDBDMN Cc1nn(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)cc1[N+](=O)[O-] ZINC001594489018 959677311 /nfs/dbraw/zinc/67/73/11/959677311.db2.gz NJNYCFOQSMUJFK-SCZZXKLOSA-N 0 1 282.300 1.242 20 5 CDBDMN Cc1ncc([N+](=O)[O-])n1CCN(C)CCC(F)(F)F ZINC001336769493 960568228 /nfs/dbraw/zinc/56/82/28/960568228.db2.gz AKDLWLFEIIRSOF-UHFFFAOYSA-N 0 1 280.250 1.984 20 5 CDBDMN COC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)cc1 ZINC001353874834 968298521 /nfs/dbraw/zinc/29/85/21/968298521.db2.gz QTBIWBLGOOMOAV-IJLUTSLNSA-N 0 1 282.271 1.295 20 5 CDBDMN C[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000692786759 976547163 /nfs/dbraw/zinc/54/71/63/976547163.db2.gz PTRHHFGMZYMZTN-LDYMZIIASA-N 0 1 282.271 1.886 20 5 CDBDMN CC[C@]1(O)CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001595396205 980961018 /nfs/dbraw/zinc/96/10/18/980961018.db2.gz STFOHPAUGHIUCD-AWEZNQCLSA-N 0 1 294.307 1.640 20 5 CDBDMN CCCC[N@@H+](CCO)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001595749212 982421795 /nfs/dbraw/zinc/42/17/95/982421795.db2.gz QLNYRDQWNIWFAW-UHFFFAOYSA-N 0 1 296.323 1.887 20 5 CDBDMN C[C@@H]1CC[C@H](CO)[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599848919 988980339 /nfs/dbraw/zinc/98/03/39/988980339.db2.gz BNIMNBORJWOFRK-BXKDBHETSA-N 0 1 294.307 1.638 20 5 CDBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001593717756 996236839 /nfs/dbraw/zinc/23/68/39/996236839.db2.gz RRECCWIHRYANSP-OUAUKWLOSA-N 0 1 294.307 1.423 20 5 CDBDMN C[C@@H](NCc1cccc([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC000601150942 342482545 /nfs/dbraw/zinc/48/25/45/342482545.db2.gz JJFKWFJUYHQEFA-GMSGAONNSA-N 0 1 278.230 1.996 20 5 CDBDMN C[C@@H](N[C@@H]1COC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000601291098 342549700 /nfs/dbraw/zinc/54/97/00/342549700.db2.gz GITKKPWSHVHADR-FXAINCCUSA-N 0 1 252.270 1.005 20 5 CDBDMN O=C(NCc1cocn1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611556433 346815786 /nfs/dbraw/zinc/81/57/86/346815786.db2.gz XWGYQYFIDIWPBF-UHFFFAOYSA-N 0 1 263.209 1.218 20 5 CDBDMN CCc1[nH]nc(C(=O)N2Cc3cccnc3C2)c1[N+](=O)[O-] ZINC000591830934 342648082 /nfs/dbraw/zinc/64/80/82/342648082.db2.gz KHXQJTJNYWVSJZ-UHFFFAOYSA-N 0 1 287.279 1.431 20 5 CDBDMN C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC2(CCCC2)O1 ZINC000592191165 342674416 /nfs/dbraw/zinc/67/44/16/342674416.db2.gz AUBHTGGBWCTXBS-GFCCVEGCSA-N 0 1 294.355 1.825 20 5 CDBDMN Nc1c(-c2nc([C@@H]3CCCN3)no2)cccc1[N+](=O)[O-] ZINC000592356707 342688031 /nfs/dbraw/zinc/68/80/31/342688031.db2.gz FYCVLSNLLYYCMT-QMMMGPOBSA-N 0 1 275.268 1.652 20 5 CDBDMN C[C@@H](CNCc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000533588843 282141064 /nfs/dbraw/zinc/14/10/64/282141064.db2.gz HOSDMHWQRUDDAO-VIFPVBQESA-N 0 1 272.326 1.118 20 5 CDBDMN CC[C@@H]1COC(C)(C)CN1CCn1ccc([N+](=O)[O-])n1 ZINC000593057669 342760437 /nfs/dbraw/zinc/76/04/37/342760437.db2.gz WBGOETXSELTDNE-LLVKDONJSA-N 0 1 282.344 1.681 20 5 CDBDMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000593188197 342776344 /nfs/dbraw/zinc/77/63/44/342776344.db2.gz YNWFADNVVCWSAV-GMTAPVOTSA-N 0 1 294.355 1.486 20 5 CDBDMN CC[C@@H](C(=O)[O-])[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000593288849 342784495 /nfs/dbraw/zinc/78/44/95/342784495.db2.gz PCZCYKAAQQQQEE-LBPRGKRZSA-N 0 1 282.296 1.769 20 5 CDBDMN CCOc1cc(C[N@@H+](CC)CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000593744121 342827579 /nfs/dbraw/zinc/82/75/79/342827579.db2.gz AAEMKHJYRLUPFX-UHFFFAOYSA-N 0 1 282.296 1.900 20 5 CDBDMN C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](C(=O)[O-])O1 ZINC000593756258 342833216 /nfs/dbraw/zinc/83/32/16/342833216.db2.gz OBXBUEFDBJEVMR-ZWNOBZJWSA-N 0 1 294.307 1.311 20 5 CDBDMN C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](C(=O)[O-])O1 ZINC000593756258 342833218 /nfs/dbraw/zinc/83/32/18/342833218.db2.gz OBXBUEFDBJEVMR-ZWNOBZJWSA-N 0 1 294.307 1.311 20 5 CDBDMN O=[N+]([O-])c1ccc(NCc2n[nH]c([C@H]3CCCO3)n2)nc1 ZINC000594589475 342922125 /nfs/dbraw/zinc/92/21/25/342922125.db2.gz KPXURYNHMABOGS-SECBINFHSA-N 0 1 290.283 1.572 20 5 CDBDMN COCCOCCN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595010910 342990346 /nfs/dbraw/zinc/99/03/46/342990346.db2.gz ZXVLKGIZZCWVPZ-LLVKDONJSA-N 0 1 298.339 1.917 20 5 CDBDMN COc1cc([N+](=O)[O-])ccc1CN(C)C[C@H](O)C1CC1 ZINC000619531676 349792709 /nfs/dbraw/zinc/79/27/09/349792709.db2.gz PXFPUANCGMGABB-ZDUSSCGKSA-N 0 1 280.324 1.806 20 5 CDBDMN Cc1[nH]nc(C(=O)N2CC[C@H](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000077030202 342326526 /nfs/dbraw/zinc/32/65/26/342326526.db2.gz BJKOUAQEUJAXRG-JGVFFNPUSA-N 0 1 266.301 1.887 20 5 CDBDMN C[N@H+]1CCC[C@]2(CCN(c3ccc(N)c([N+](=O)[O-])n3)C2)C1 ZINC000596244390 343285693 /nfs/dbraw/zinc/28/56/93/343285693.db2.gz QUSDPEPSEIKWAV-AWEZNQCLSA-N 0 1 291.355 1.494 20 5 CDBDMN NC(=O)C[C@@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000588977590 342446419 /nfs/dbraw/zinc/44/64/19/342446419.db2.gz PZFXHVQVBUPHHW-VIFPVBQESA-N 0 1 281.287 1.431 20 5 CDBDMN CCc1nn(C)c(NCc2n[nH]c(C(C)C)n2)c1[N+](=O)[O-] ZINC000295013305 199299295 /nfs/dbraw/zinc/29/92/95/199299295.db2.gz SVCYKKQYFKVLCY-UHFFFAOYSA-N 0 1 293.331 1.744 20 5 CDBDMN O=[N+]([O-])c1cnc(N[C@H]2CCCN(CCCO)C2)s1 ZINC000295029876 199308311 /nfs/dbraw/zinc/30/83/11/199308311.db2.gz VKUNBOJKCLUWKX-VIFPVBQESA-N 0 1 286.357 1.310 20 5 CDBDMN CN(Cc1ccccc1[N+](=O)[O-])C[C@@H](O)Cn1cccn1 ZINC000051383744 343605280 /nfs/dbraw/zinc/60/52/80/343605280.db2.gz CRKDVYPMBYWQEK-CYBMUJFWSA-N 0 1 290.323 1.284 20 5 CDBDMN CC(=O)[C@@H]1CCCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000597711889 343607888 /nfs/dbraw/zinc/60/78/88/343607888.db2.gz WWOPDWVDJLQDEC-ZDUSSCGKSA-N 0 1 292.291 1.884 20 5 CDBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2c[nH]cn2)c1[N+](=O)[O-] ZINC000597861777 343649394 /nfs/dbraw/zinc/64/93/94/343649394.db2.gz DCVVGLVAYTZCLO-UHFFFAOYSA-N 0 1 292.299 1.437 20 5 CDBDMN Cc1[nH]ncc1CN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000602169022 344366917 /nfs/dbraw/zinc/36/69/17/344366917.db2.gz WJLBMJDQPZQYLT-UHFFFAOYSA-N 0 1 288.307 1.827 20 5 CDBDMN CCCc1[nH]nc(C(=O)N(CC)CCOC)c1[N+](=O)[O-] ZINC000343172226 362399552 /nfs/dbraw/zinc/39/95/52/362399552.db2.gz PPORKFVXXOKQBT-UHFFFAOYSA-N 0 1 284.316 1.379 20 5 CDBDMN CC(C)c1[nH]nc(C(=O)N(C)C[C@@H](O)C2CC2)c1[N+](=O)[O-] ZINC000610924151 346488334 /nfs/dbraw/zinc/48/83/34/346488334.db2.gz OSWUZUKBIWAPDJ-SECBINFHSA-N 0 1 296.327 1.284 20 5 CDBDMN CCN(CCCO)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611273905 346733069 /nfs/dbraw/zinc/73/30/69/346733069.db2.gz VDVBJADFUNAAKZ-UHFFFAOYSA-N 0 1 296.323 1.570 20 5 CDBDMN C[C@@H]1[C@H](C)N(C)CCN1c1ncccc1[N+](=O)[O-] ZINC000611299020 346740650 /nfs/dbraw/zinc/74/06/50/346740650.db2.gz IJIJFJWTXGARBX-VHSXEESVSA-N 0 1 250.302 1.519 20 5 CDBDMN C[C@H]1[C@H](CO)CCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000412099040 365912208 /nfs/dbraw/zinc/91/22/08/365912208.db2.gz VZGCUDKKUGRPPM-QWRGUYRKSA-N 0 1 280.324 1.893 20 5 CDBDMN O=C(NCCC1CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272525193 347805152 /nfs/dbraw/zinc/80/51/52/347805152.db2.gz LTKWUJIRFWSYHK-UHFFFAOYSA-N 0 1 250.254 1.830 20 5 CDBDMN CCOCCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665070 349128152 /nfs/dbraw/zinc/12/81/52/349128152.db2.gz GJSUZBBORGFCIN-LBPRGKRZSA-N 0 1 294.355 1.903 20 5 CDBDMN CC[C@]1(C(C)C)C[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000457259969 366005354 /nfs/dbraw/zinc/00/53/54/366005354.db2.gz CFRYBEHWYSRWOL-BXKDBHETSA-N 0 1 266.301 1.872 20 5 CDBDMN Cc1nn(CCN2CCCOCC2)c(C)c1[N+](=O)[O-] ZINC000412986776 362990977 /nfs/dbraw/zinc/99/09/77/362990977.db2.gz VCZKCAGQIGXPAZ-UHFFFAOYSA-N 0 1 268.317 1.130 20 5 CDBDMN Cc1c(C[N@H+]2CC[C@@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000062133439 363013754 /nfs/dbraw/zinc/01/37/54/363013754.db2.gz DTSVTEBYDDKSOO-LLVKDONJSA-N 0 1 264.281 1.810 20 5 CDBDMN Cc1ccc([C@@H](C)NCC(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000036782264 363013887 /nfs/dbraw/zinc/01/38/87/363013887.db2.gz NWWHHMZOCLTZAL-SNVBAGLBSA-N 0 1 277.324 1.832 20 5 CDBDMN CC1(C)CN(Cc2cccc([N+](=O)[O-])c2)CCN1CCO ZINC000614920394 363069518 /nfs/dbraw/zinc/06/95/18/363069518.db2.gz HWIRETRTWSGSEX-UHFFFAOYSA-N 0 1 293.367 1.483 20 5 CDBDMN CN1CC[NH+](CCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000034273177 363176867 /nfs/dbraw/zinc/17/68/67/363176867.db2.gz RODMCJCFJLTJGF-UHFFFAOYSA-N 0 1 278.356 1.644 20 5 CDBDMN O=[N+]([O-])c1ccccc1CNC[C@@H]1CN(C2CC2)CCO1 ZINC000358540340 356304668 /nfs/dbraw/zinc/30/46/68/356304668.db2.gz GTJWFAXOKYQIQL-CQSZACIVSA-N 0 1 291.351 1.548 20 5 CDBDMN C[N@H+]1CC[C@@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000134654601 356370686 /nfs/dbraw/zinc/37/06/86/356370686.db2.gz BBIBIGNMZZGDAO-VIFPVBQESA-N 0 1 297.742 1.930 20 5 CDBDMN CC[N@H+]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344556131 363502719 /nfs/dbraw/zinc/50/27/19/363502719.db2.gz HZQJSXYUNALIPC-UHFFFAOYSA-N 0 1 295.314 1.902 20 5 CDBDMN CCN1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344556131 363502723 /nfs/dbraw/zinc/50/27/23/363502723.db2.gz HZQJSXYUNALIPC-UHFFFAOYSA-N 0 1 295.314 1.902 20 5 CDBDMN CCc1[nH]nc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000185733344 357571260 /nfs/dbraw/zinc/57/12/60/357571260.db2.gz LLUPTSOCBPEAJA-SECBINFHSA-N 0 1 295.343 1.047 20 5 CDBDMN CCc1[nH]nc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000185733344 357571266 /nfs/dbraw/zinc/57/12/66/357571266.db2.gz LLUPTSOCBPEAJA-SECBINFHSA-N 0 1 295.343 1.047 20 5 CDBDMN CCc1n[nH]c(C(=O)N(C)[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000185733344 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ZINC000840241966 682722085 /nfs/dbraw/zinc/72/20/85/682722085.db2.gz PESSFTSXEURSGN-OASPWFOLSA-N 0 1 260.293 1.798 20 5 CDBDMN O=[N+]([O-])c1cccc(CN2CCC(CO)(CO)CC2)c1 ZINC000877798150 682741189 /nfs/dbraw/zinc/74/11/89/682741189.db2.gz ZEDDHQIAQLNZQE-UHFFFAOYSA-N 0 1 280.324 1.162 20 5 CDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCc2sccc2C1 ZINC000839665466 682751732 /nfs/dbraw/zinc/75/17/32/682751732.db2.gz IIKLOCJSNSIWKX-NXEZZACHSA-N 0 1 266.322 1.688 20 5 CDBDMN CN(Cc1nnc[nH]1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000080523132 682862395 /nfs/dbraw/zinc/86/23/95/682862395.db2.gz FENPJLXQUYMMKE-UHFFFAOYSA-N 0 1 295.686 1.639 20 5 CDBDMN CCCn1cc(CNCCc2ccccc2[N+](=O)[O-])nn1 ZINC000865476771 683130531 /nfs/dbraw/zinc/13/05/31/683130531.db2.gz JEAPCKBGBPDCGZ-UHFFFAOYSA-N 0 1 289.339 1.929 20 5 CDBDMN CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839719400 683253360 /nfs/dbraw/zinc/25/33/60/683253360.db2.gz YGQYYGCOSRXZMX-HUXSOILUSA-N 0 1 296.298 1.683 20 5 CDBDMN CC[C@@H](C(=O)[O-])[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000851707398 683430231 /nfs/dbraw/zinc/43/02/31/683430231.db2.gz BZFCXLCXEDCYCR-NWDGAFQWSA-N 0 1 282.296 1.423 20 5 CDBDMN CN(C)c1cccc(CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839709136 683727141 /nfs/dbraw/zinc/72/71/41/683727141.db2.gz POILZXXKPYVPSL-CHWSQXEVSA-N 0 1 277.324 1.376 20 5 CDBDMN COc1ccccc1CC(C)(C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840324021 683829143 /nfs/dbraw/zinc/82/91/43/683829143.db2.gz LDXWMGCTXYVUID-VXGBXAGGSA-N 0 1 292.335 1.798 20 5 CDBDMN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1C ZINC000792875042 683915727 /nfs/dbraw/zinc/91/57/27/683915727.db2.gz XKEDDJBFLNPLKA-JTQLQIEISA-N 0 1 294.311 1.639 20 5 CDBDMN COC(=O)C1CC(OC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000860952585 684053578 /nfs/dbraw/zinc/05/35/78/684053578.db2.gz WVUNTVLAVCJFIO-UHFFFAOYSA-N 0 1 268.225 1.031 20 5 CDBDMN CC(C)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000839747957 684091516 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O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](CO)C2)c1 ZINC001602404723 1175232662 /nfs/dbraw/zinc/23/26/62/1175232662.db2.gz CRRLZQCXLSCJRB-JTQLQIEISA-N 0 1 294.307 1.497 20 5 CDBDMN C[C@H]1CN(c2cc(N)c([N+](=O)[O-])cn2)[C@@H](C)CN1C ZINC001164636401 719211458 /nfs/dbraw/zinc/21/14/58/719211458.db2.gz KBWPSNJQIVFTTR-IUCAKERBSA-N 0 1 265.317 1.101 20 5 CDBDMN COc1ccc([N+](=O)[O-])cc1CNC[C@@](C)(O)C(F)F ZINC000698673795 912681033 /nfs/dbraw/zinc/68/10/33/912681033.db2.gz DFLYSPNRYKNHHK-GFCCVEGCSA-N 0 1 290.266 1.709 20 5 CDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H](c2ccncc2)C1 ZINC000844143872 931550737 /nfs/dbraw/zinc/55/07/37/931550737.db2.gz XUAFYUJJINUPJR-JHJVBQTASA-N 0 1 275.308 1.453 20 5 CDBDMN Cc1cnc(CN)n1-c1ncc([N+](=O)[O-])cc1F ZINC001158165299 938589483 /nfs/dbraw/zinc/58/94/83/938589483.db2.gz YQJCEWBVSOEFOO-UHFFFAOYSA-N 0 1 251.221 1.082 20 5 CDBDMN O=[N+]([O-])C[C@@H](Oc1cccc2[nH]nnc21)c1cccnc1 ZINC001225991009 941938513 /nfs/dbraw/zinc/93/85/13/941938513.db2.gz QLBHDRHCWCDEEY-GFCCVEGCSA-N 0 1 285.263 1.750 20 5 CDBDMN COc1cc([N+](=O)[O-])ccc1O[C@@H]1CC[N@@H+](C)C1 ZINC001227184632 942146407 /nfs/dbraw/zinc/14/64/07/942146407.db2.gz IJFCROUXEGEXIC-SNVBAGLBSA-N 0 1 252.270 1.686 20 5 CDBDMN COc1cc([N+](=O)[O-])ccc1O[C@@H]1CCN(C)C1 ZINC001227184632 942146409 /nfs/dbraw/zinc/14/64/09/942146409.db2.gz IJFCROUXEGEXIC-SNVBAGLBSA-N 0 1 252.270 1.686 20 5 CDBDMN O=[N+]([O-])c1ccc2c(c1)C[C@@H](Oc1ncnc3nc[nH]c31)C2 ZINC001227532620 942184048 /nfs/dbraw/zinc/18/40/48/942184048.db2.gz ZKOYRIRTEJIVDU-NSHDSACASA-N 0 1 297.274 1.807 20 5 CDBDMN COC(=O)c1cccc(O[C@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC001227894206 942241291 /nfs/dbraw/zinc/24/12/91/942241291.db2.gz LAQSOHIYSDGGNG-VIFPVBQESA-N 0 1 280.280 1.464 20 5 CDBDMN Cc1nc(O[C@@H]2CC(F)(F)C2(F)F)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229378702 942460615 /nfs/dbraw/zinc/46/06/15/942460615.db2.gz LXCMYXMFBDTYBG-SCSAIBSYSA-N 0 1 297.164 1.821 20 5 CDBDMN COC(=O)c1cccc2[n-]c(O[C@@H](C)C[N+](C)(C)C)nc21 ZINC001234045378 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C[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC001599878678 989453289 /nfs/dbraw/zinc/45/32/89/989453289.db2.gz CNPRXCANUYEWLW-RKDXNWHRSA-N 0 1 282.300 1.013 20 5 CDBDMN CCC1(C(=O)NCCNCc2ccccc2[N+](=O)[O-])CC1 ZINC001133406979 1163675580 /nfs/dbraw/zinc/67/55/80/1163675580.db2.gz SWPOWBOYQYGHRK-UHFFFAOYSA-N 0 1 291.351 1.991 20 5 CDBDMN CC(C)c1ccc(CN(CCO)CCO)cc1[N+](=O)[O-] ZINC000600178671 341983344 /nfs/dbraw/zinc/98/33/44/341983344.db2.gz AMPPRKVEYCOMDG-UHFFFAOYSA-N 0 1 282.340 1.505 20 5 CDBDMN O=[N+]([O-])c1ccc2[nH]c(=N[C@@H]3COCC[C@H]3O)ccc2c1 ZINC000601252583 342539438 /nfs/dbraw/zinc/53/94/38/342539438.db2.gz NJHQEQHXIIPFRC-CHWSQXEVSA-N 0 1 289.291 1.127 20 5 CDBDMN COc1ccc(CN(C)C[C@H]2COCCO2)cc1[N+](=O)[O-] ZINC000590703858 342582474 /nfs/dbraw/zinc/58/24/74/342582474.db2.gz HXIWIZQREIFFRW-LBPRGKRZSA-N 0 1 296.323 1.451 20 5 CDBDMN C[C@@H]1[C@H](C)N(c2ccc([N+](=O)[O-])nc2)CCN1C ZINC000590696096 342583500 /nfs/dbraw/zinc/58/35/00/342583500.db2.gz YXYUNAJEUWPJDV-ZJUUUORDSA-N 0 1 250.302 1.519 20 5 CDBDMN CC[N@@H+](C)CCNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000162415841 342073280 /nfs/dbraw/zinc/07/32/80/342073280.db2.gz PFUXQORYAZVBHK-UHFFFAOYSA-N 0 1 268.273 1.052 20 5 CDBDMN C[C@H](CC(=O)[O-])[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000565373385 365640522 /nfs/dbraw/zinc/64/05/22/365640522.db2.gz RRNAXDRJFJHRGA-MRVPVSSYSA-N 0 1 292.295 1.766 20 5 CDBDMN COCC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)[O-] ZINC000591269753 342623475 /nfs/dbraw/zinc/62/34/75/342623475.db2.gz WDQLULCSMHYHNP-XQRVVYSFSA-N 0 1 294.307 1.641 20 5 CDBDMN COC[C@H]1C[C@@H](O)CN1Cc1cccc([N+](=O)[O-])c1 ZINC000593067102 342762152 /nfs/dbraw/zinc/76/21/52/342762152.db2.gz TUWSKIWGUJHDRM-CHWSQXEVSA-N 0 1 266.297 1.176 20 5 CDBDMN O=C([O-])C1([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])CCCC1 ZINC000593288135 342784170 /nfs/dbraw/zinc/78/41/70/342784170.db2.gz HVUFNTRSKFOQBB-UHFFFAOYSA-N 0 1 280.280 1.787 20 5 CDBDMN CC1(C)[C@H](O)C[C@@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000594003742 342862394 /nfs/dbraw/zinc/86/23/94/342862394.db2.gz SIFNTKSVCKYHKT-NWDGAFQWSA-N 0 1 268.288 1.983 20 5 CDBDMN CC1(C)[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1O ZINC000594003658 342862553 /nfs/dbraw/zinc/86/25/53/342862553.db2.gz KAJVRJWWFOLKGT-NEPJUHHUSA-N 0 1 291.307 1.985 20 5 CDBDMN O=C1NCCCC[C@H]1N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594495378 342914238 /nfs/dbraw/zinc/91/42/38/342914238.db2.gz VPBMNQVXZMBYKB-QWHCGFSZSA-N 0 1 289.335 1.840 20 5 CDBDMN C[C@H](c1ccccc1[N+](=O)[O-])N(C)CCN1CCOCC1 ZINC000075713569 342312300 /nfs/dbraw/zinc/31/23/00/342312300.db2.gz ONDLUAUGZBEJSR-CYBMUJFWSA-N 0 1 293.367 1.920 20 5 CDBDMN Cc1c(CN(C)Cc2n[nH]c(=O)o2)cccc1[N+](=O)[O-] ZINC000595546834 343084413 /nfs/dbraw/zinc/08/44/13/343084413.db2.gz IRWNONBPUDNYGP-UHFFFAOYSA-N 0 1 278.268 1.624 20 5 CDBDMN CC[C@H](C)N1CCN(Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595520592 343088133 /nfs/dbraw/zinc/08/81/33/343088133.db2.gz NKCRRTHYKSAUEO-JTQLQIEISA-N 0 1 282.344 1.807 20 5 CDBDMN 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ZINC001164634806 719213290 /nfs/dbraw/zinc/21/32/90/719213290.db2.gz HBDODGNNLLUGEC-DTWKUNHWSA-N 0 1 265.317 1.101 20 5 CDBDMN C[C@H](O)[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001609788516 1165081939 /nfs/dbraw/zinc/08/19/39/1165081939.db2.gz KDIJHEOXOQUHLC-ONGXEEELSA-N 0 1 294.307 1.496 20 5 CDBDMN CCN(CCc1cccs1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839512675 777841155 /nfs/dbraw/zinc/84/11/55/777841155.db2.gz QZOQFZJBHJPSLW-GHMZBOCLSA-N 0 1 268.338 1.804 20 5 CDBDMN O=C(NCC1([C@H](O)c2ccccc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839712996 773794646 /nfs/dbraw/zinc/79/46/46/773794646.db2.gz OBZFVJIFUYHKCN-JHJVBQTASA-N 0 1 290.319 1.282 20 5 CDBDMN C[C@@H](CCCc1cccnc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839799448 773878939 /nfs/dbraw/zinc/87/89/39/773878939.db2.gz LQRNYYGWWPTHFM-CYZMBNFOSA-N 0 1 277.324 1.574 20 5 CDBDMN Cc1cc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)ncn1 ZINC000819188932 773924663 /nfs/dbraw/zinc/92/46/63/773924663.db2.gz OQYGUAFFVWTDCI-CQSZACIVSA-N 0 1 288.307 1.516 20 5 CDBDMN CSC[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839779319 774274737 /nfs/dbraw/zinc/27/47/37/774274737.db2.gz OCCQZSWRUXZSSK-IVZWLZJFSA-N 0 1 258.343 1.253 20 5 CDBDMN Cc1cccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1S(C)(=O)=O ZINC000841334816 774435023 /nfs/dbraw/zinc/43/50/23/774435023.db2.gz QTCOHDWBSOHOBB-PSASIEDQSA-N 0 1 298.320 1.002 20 5 CDBDMN CC(C)NC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867941866 774732563 /nfs/dbraw/zinc/73/25/63/774732563.db2.gz KQAKPFNAEKPXNK-GFCCVEGCSA-N 0 1 251.286 1.293 20 5 CDBDMN C[C@H]1CC2(CN1Cn1nccc1[N+](=O)[O-])CCOCC2 ZINC000842638084 774818218 /nfs/dbraw/zinc/81/82/18/774818218.db2.gz HUUJEQIVSMNHBG-NSHDSACASA-N 0 1 280.328 1.640 20 5 CDBDMN CC(C)(CC(F)(F)F)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840429303 774882685 /nfs/dbraw/zinc/88/26/85/774882685.db2.gz ATZGGOHZGLFRGI-PHDIDXHHSA-N 0 1 254.208 1.499 20 5 CDBDMN C[C@H](CNC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000867927628 774892797 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CCN1C[C@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)CC1=O ZINC000824886924 776837265 /nfs/dbraw/zinc/83/72/65/776837265.db2.gz OCLDDIIVEQUPLI-SNVBAGLBSA-N 0 1 297.742 1.959 20 5 CDBDMN C[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839713058 777040980 /nfs/dbraw/zinc/04/09/80/777040980.db2.gz SPKXODDDHMVPAJ-XXILOJSOSA-N 0 1 264.281 1.105 20 5 CDBDMN CCc1cc(O)ccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839734451 777082566 /nfs/dbraw/zinc/08/25/66/777082566.db2.gz SMMNURLDOCIXCX-MWLCHTKSSA-N 0 1 250.254 1.558 20 5 CDBDMN O=C(N[C@@H](c1cccs1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000840253917 777100565 /nfs/dbraw/zinc/10/05/65/777100565.db2.gz WWLKBMUMHQHFRI-FXPVBKGRSA-N 0 1 266.322 1.981 20 5 CDBDMN Cc1nn(CN(C)CC2CCOCC2)c(C)c1[N+](=O)[O-] ZINC000124716771 777178009 /nfs/dbraw/zinc/17/80/09/777178009.db2.gz ZSRUZHFVQIWRQX-UHFFFAOYSA-N 0 1 282.344 1.724 20 5 CDBDMN C[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1nccn1C ZINC000775387333 777232838 /nfs/dbraw/zinc/23/28/38/777232838.db2.gz XCJIUGDKYQKTTI-GWCFXTLKSA-N 0 1 290.323 1.713 20 5 CDBDMN C[C@]1(O)CCCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886181343 777512269 /nfs/dbraw/zinc/51/22/69/777512269.db2.gz KAGINEQIJLRMTH-ZDUSSCGKSA-N 0 1 265.313 1.727 20 5 CDBDMN COc1ccc([C@@H]2CCN(CC[N+](=O)[O-])C2)cc1 ZINC000929431188 777534209 /nfs/dbraw/zinc/53/42/09/777534209.db2.gz UTFTWZZZEXHHQN-GFCCVEGCSA-N 0 1 250.298 1.761 20 5 CDBDMN O=C(OCc1cnc2ccccc2n1)[C@@H]1CC1[N+](=O)[O-] ZINC000842299589 777611467 /nfs/dbraw/zinc/61/14/67/777611467.db2.gz JEQDRDKORNDHBG-BXKDBHETSA-N 0 1 273.248 1.338 20 5 CDBDMN COC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839697418 777625415 /nfs/dbraw/zinc/62/54/15/777625415.db2.gz YSKGOBLUIXFLPJ-JHJVBQTASA-N 0 1 278.308 1.026 20 5 CDBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](O)c1ccc(F)cc1 ZINC000839717831 777695825 /nfs/dbraw/zinc/69/58/25/777695825.db2.gz WGTMGEOTAUGDDV-BWWFWGKFSA-N 0 1 282.271 1.029 20 5 CDBDMN COc1ccc2c(c1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000847204356 777797198 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CC[C@H]1CN(CC)CCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000836950152 778326860 /nfs/dbraw/zinc/32/68/60/778326860.db2.gz VVGQXHLRXQJTFJ-LBPRGKRZSA-N 0 1 285.388 1.765 20 5 CDBDMN CNC(=O)CCCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837654497 778386440 /nfs/dbraw/zinc/38/64/40/778386440.db2.gz XYXBTAVPACZELC-UHFFFAOYSA-N 0 1 296.279 1.260 20 5 CDBDMN O=C(N[C@@H](CCO)c1ccc(Cl)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839771413 778439208 /nfs/dbraw/zinc/43/92/08/778439208.db2.gz RJYHXHFPLXWALP-GRYCIOLGSA-N 0 1 298.726 1.545 20 5 CDBDMN CC[N@H+]1CC[C@H]1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000882489570 778525394 /nfs/dbraw/zinc/52/53/94/778525394.db2.gz DPENFVXKPZIEGN-JTQLQIEISA-N 0 1 279.296 1.124 20 5 CDBDMN C[C@H]1CN(Cc2cccnc2[N+](=O)[O-])CCN1C ZINC000886091486 778551635 /nfs/dbraw/zinc/55/16/35/778551635.db2.gz BBMAVLYHLBTEML-JTQLQIEISA-N 0 1 250.302 1.126 20 5 CDBDMN C[C@@H]1[C@@H](C)N(Cc2cccnc2[N+](=O)[O-])CCN1C ZINC000886102877 778812829 /nfs/dbraw/zinc/81/28/29/778812829.db2.gz STCUQIYLYNVMEY-GHMZBOCLSA-N 0 1 264.329 1.514 20 5 CDBDMN COC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839737151 778814605 /nfs/dbraw/zinc/81/46/05/778814605.db2.gz SCULAPOWENTEKY-GRYCIOLGSA-N 0 1 298.339 1.280 20 5 CDBDMN C[C@@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1nccn1C ZINC000775387345 778817766 /nfs/dbraw/zinc/81/77/66/778817766.db2.gz XCJIUGDKYQKTTI-MFKMUULPSA-N 0 1 290.323 1.713 20 5 CDBDMN O=[N+]([O-])c1ncccc1CN1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000886571586 779003855 /nfs/dbraw/zinc/00/38/55/779003855.db2.gz AVLCCIPWIBUAED-ADEWGFFLSA-N 0 1 263.297 1.193 20 5 CDBDMN Cc1ccc([C@@H](C)N[C@@H]2CCC(=O)NC2=O)cc1[N+](=O)[O-] ZINC000089751396 779099431 /nfs/dbraw/zinc/09/94/31/779099431.db2.gz NEHHQYOHPSUMKZ-MWLCHTKSSA-N 0 1 291.307 1.359 20 5 CDBDMN COCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CC[C@@H](C)C1 ZINC000839735107 779325991 /nfs/dbraw/zinc/32/59/91/779325991.db2.gz YFOCYTPXXKSOGM-DDHJBXDOSA-N 0 1 270.329 1.315 20 5 CDBDMN Cn1ccnc1CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819015750 779456527 /nfs/dbraw/zinc/45/65/27/779456527.db2.gz OMKMBKQKXOCTFZ-LBPRGKRZSA-N 0 1 276.296 1.152 20 5 CDBDMN C[C@@H]1C[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])CC(C)(C)C1=O ZINC000847941701 779627752 /nfs/dbraw/zinc/62/77/52/779627752.db2.gz JQECVVQCZRSZRW-UTINFBMNSA-N 0 1 269.297 1.589 20 5 CDBDMN O=C(NCCc1cccc(F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000839471396 779752262 /nfs/dbraw/zinc/75/22/62/779752262.db2.gz NAROZZBFNXZHBQ-GHMZBOCLSA-N 0 1 252.245 1.150 20 5 CDBDMN O=[N+]([O-])CCN(Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000791055800 779780527 /nfs/dbraw/zinc/78/05/27/779780527.db2.gz YLRPOLIUWNFBTM-AWEZNQCLSA-N 0 1 264.325 1.536 20 5 CDBDMN C[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])N(C)c1ccccc1 ZINC000839531455 779943840 /nfs/dbraw/zinc/94/38/40/779943840.db2.gz LCBDVESANXAOSN-RAIGVLPGSA-N 0 1 277.324 1.293 20 5 CDBDMN COC(=O)[C@@H]1CCC[C@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000785956827 780072872 /nfs/dbraw/zinc/07/28/72/780072872.db2.gz HQSSCCMRYMOHGE-BDAKNGLRSA-N 0 1 296.279 1.812 20 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Cc1nn(CN2CCC[C@@H]2[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000842619594 844658007 /nfs/dbraw/zinc/65/80/07/844658007.db2.gz WMYMCRGPKITDRD-CHWSQXEVSA-N 0 1 294.355 1.948 20 5 CDBDMN O=C(Oc1cccc2c1OCCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000842946244 844661454 /nfs/dbraw/zinc/66/14/54/844661454.db2.gz OASNPOUTOUMIIC-NXEZZACHSA-N 0 1 263.249 1.582 20 5 CDBDMN Cc1cccc(CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c1C ZINC000839777428 844792842 /nfs/dbraw/zinc/79/28/42/844792842.db2.gz RSOOCJJWIMBVNJ-CHWSQXEVSA-N 0 1 262.309 1.927 20 5 CDBDMN CCO[C@@H]1CCC[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000873592201 844852493 /nfs/dbraw/zinc/85/24/93/844852493.db2.gz FJKQUGAOHGYJEM-GWOFURMSSA-N 0 1 257.286 1.543 20 5 CDBDMN O=C(NCc1coc(-c2ccccc2)n1)[C@@H]1CC1[N+](=O)[O-] ZINC000839691772 844904081 /nfs/dbraw/zinc/90/40/81/844904081.db2.gz OWZKZABDEGCEBO-VXGBXAGGSA-N 0 1 287.275 1.623 20 5 CDBDMN Cc1ccc([C@@H](C)CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839687378 844950945 /nfs/dbraw/zinc/95/09/45/844950945.db2.gz CZVRVDHGKNAAIY-CYZMBNFOSA-N 0 1 262.309 1.880 20 5 CDBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1c(F)cncc1F ZINC000839764667 845030713 /nfs/dbraw/zinc/03/07/13/845030713.db2.gz FMRZSIJXQFAQTF-HCVRKRLWSA-N 0 1 271.223 1.202 20 5 CDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1Cc2cc(F)c(F)cc2C1 ZINC000847205445 845158703 /nfs/dbraw/zinc/15/87/03/845158703.db2.gz IVEXRXLPZVQJQL-LDYMZIIASA-N 0 1 268.219 1.472 20 5 CDBDMN O=C(NCC1(Cc2ccccc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839707625 845260617 /nfs/dbraw/zinc/26/06/17/845260617.db2.gz DNTVNZYNVMJITM-CHWSQXEVSA-N 0 1 274.320 1.791 20 5 CDBDMN CCC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccn1 ZINC000839654762 845403857 /nfs/dbraw/zinc/40/38/57/845403857.db2.gz QDPZROOEDLUDIS-YUSALJHKSA-N 0 1 263.297 1.704 20 5 CDBDMN O=C(Cn1cc([N+](=O)[O-])cn1)OCc1cc(C2CC2)[nH]n1 ZINC000848014695 845524060 /nfs/dbraw/zinc/52/40/60/845524060.db2.gz FXWQIQMZFZXXSN-UHFFFAOYSA-N 0 1 291.267 1.135 20 5 CDBDMN C[C@](O)(CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1Cl ZINC000839725348 845922586 /nfs/dbraw/zinc/92/25/86/845922586.db2.gz MRGWBPPMSLTXDT-DYLAAIIWSA-N 0 1 298.726 1.329 20 5 CDBDMN Cc1ccccc1CN1CCN(CC[N+](=O)[O-])CC1 ZINC000791052845 846177246 /nfs/dbraw/zinc/17/72/46/846177246.db2.gz GAJGHVPKGNEPPA-UHFFFAOYSA-N 0 1 263.341 1.389 20 5 CDBDMN CC(=O)Cc1ccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000842373428 846178383 /nfs/dbraw/zinc/17/83/83/846178383.db2.gz DOQLGMDMZAZJED-VXGBXAGGSA-N 0 1 263.249 1.389 20 5 CDBDMN C[C@@H]1[C@@H](CO)CCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839672375 846182589 /nfs/dbraw/zinc/18/25/89/846182589.db2.gz FTQFZHKQMABCGW-UXIGCNINSA-N 0 1 294.351 1.721 20 5 CDBDMN C[C@@H](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839618306 846191755 /nfs/dbraw/zinc/19/17/55/846191755.db2.gz GDWRBHZALVTHFT-CYZMBNFOSA-N 0 1 262.309 1.962 20 5 CDBDMN O=C(O[C@H]1CC(=O)NC2(CCC2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000842465540 846225211 /nfs/dbraw/zinc/22/52/11/846225211.db2.gz MERSMZZCHYCTIG-QMMMGPOBSA-N 0 1 293.279 1.281 20 5 CDBDMN CC[N@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000882490241 846362421 /nfs/dbraw/zinc/36/24/21/846362421.db2.gz LKDONPAJZWAHOC-JTQLQIEISA-N 0 1 279.296 1.124 20 5 CDBDMN CC(C)(C)CN1CCC[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1=O ZINC000840672559 846383650 /nfs/dbraw/zinc/38/36/50/846383650.db2.gz BJYXEDXQTNSQOQ-GMTAPVOTSA-N 0 1 298.339 1.232 20 5 CDBDMN COC(=O)c1cccc(OC)c1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841073414 846493877 /nfs/dbraw/zinc/49/38/77/846493877.db2.gz SWMCJLSZOPEBJT-RKDXNWHRSA-N 0 1 295.247 1.052 20 5 CDBDMN Cn1ccnc1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819015749 846525713 /nfs/dbraw/zinc/52/57/13/846525713.db2.gz OMKMBKQKXOCTFZ-GFCCVEGCSA-N 0 1 276.296 1.152 20 5 CDBDMN O=C(NC[C@H]1CCC2(CCCCC2)O1)[C@@H]1CC1[N+](=O)[O-] ZINC000839732080 846571831 /nfs/dbraw/zinc/57/18/31/846571831.db2.gz AFSCMIOALBRHGI-IJLUTSLNSA-N 0 1 282.340 1.650 20 5 CDBDMN O=C(NCCCNc1cccc(F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000839726766 846904379 /nfs/dbraw/zinc/90/43/79/846904379.db2.gz SFZNCYXQJNFZGD-VXGBXAGGSA-N 0 1 281.287 1.409 20 5 CDBDMN CCN(Cc1c(F)cccc1F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839623761 846964586 /nfs/dbraw/zinc/96/45/86/846964586.db2.gz SLUFGBKXUZCAEB-PRHODGIISA-N 0 1 284.262 1.979 20 5 CDBDMN Cc1ccc(CN2C[C@H]3C[C@@]3(CO)C2)cc1[N+](=O)[O-] ZINC000783741393 846967058 /nfs/dbraw/zinc/96/70/58/846967058.db2.gz LXJHHOURLODFBJ-OCCSQVGLSA-N 0 1 262.309 1.717 20 5 CDBDMN CON(C)C(=O)[C@@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000873145377 846969148 /nfs/dbraw/zinc/96/91/48/846969148.db2.gz KERYUWXKJGEGBZ-SNVBAGLBSA-N 0 1 281.312 1.401 20 5 CDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1c1ccccn1 ZINC000839572966 846980665 /nfs/dbraw/zinc/98/06/65/846980665.db2.gz NNLJNKMGSXDBPJ-ADEWGFFLSA-N 0 1 261.281 1.410 20 5 CDBDMN COc1ccc(CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cc1C ZINC000839652333 847141938 /nfs/dbraw/zinc/14/19/38/847141938.db2.gz NVPNLGBEXWNEHS-VXGBXAGGSA-N 0 1 278.308 1.627 20 5 CDBDMN CC(C)(CO)N1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000800852258 847223545 /nfs/dbraw/zinc/22/35/45/847223545.db2.gz ATRVFDHHJLBHHL-UHFFFAOYSA-N 0 1 294.355 1.070 20 5 CDBDMN CN(OCc1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839707496 847270943 /nfs/dbraw/zinc/27/09/43/847270943.db2.gz AGRZFJNYXHDIJF-GHMZBOCLSA-N 0 1 250.254 1.242 20 5 CDBDMN CC(C)C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000839721112 847336044 /nfs/dbraw/zinc/33/60/44/847336044.db2.gz NSBGHWHQVDQHGT-IRCOFANPSA-N 0 1 270.329 1.362 20 5 CDBDMN Cc1c(CN[C@@H](C)C(=O)NC(C)C)cccc1[N+](=O)[O-] ZINC000229012712 847550666 /nfs/dbraw/zinc/55/06/66/847550666.db2.gz IAXRYJWFCNOWEC-NSHDSACASA-N 0 1 279.340 1.906 20 5 CDBDMN C[C@H](CNC(=O)CN(C)C)c1ccccc1[N+](=O)[O-] ZINC000887402330 847592316 /nfs/dbraw/zinc/59/23/16/847592316.db2.gz ALKOCWLAJLBQTN-SNVBAGLBSA-N 0 1 265.313 1.376 20 5 CDBDMN CC[C@@]1(NCc2cccnc2[N+](=O)[O-])CCOC1 ZINC000886168450 847667350 /nfs/dbraw/zinc/66/73/50/847667350.db2.gz RAGGGIFIIIPARX-GFCCVEGCSA-N 0 1 251.286 1.649 20 5 CDBDMN NC(=O)c1ccc(CN2CC[C@@H](CF)C2)c([N+](=O)[O-])c1 ZINC000880297208 847743768 /nfs/dbraw/zinc/74/37/68/847743768.db2.gz KPTYUCVYHIDZMC-VIFPVBQESA-N 0 1 281.287 1.485 20 5 CDBDMN CO[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccccc1 ZINC000839781465 847797157 /nfs/dbraw/zinc/79/71/57/847797157.db2.gz PXOQKDHNZGZLSN-YNEHKIRRSA-N 0 1 278.308 1.026 20 5 CDBDMN C[C@@H]1COCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776593547 847936811 /nfs/dbraw/zinc/93/68/11/847936811.db2.gz LCGHGHKTAYZGFQ-SMDDNHRTSA-N 0 1 280.324 1.597 20 5 CDBDMN CC[C@@H](C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)N(C)C ZINC000854497691 847968395 /nfs/dbraw/zinc/96/83/95/847968395.db2.gz VDTQYKDWRRVYQQ-JTQLQIEISA-N 0 1 266.301 1.456 20 5 CDBDMN CC(C)C[C@@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000839721110 847981440 /nfs/dbraw/zinc/98/14/40/847981440.db2.gz NSBGHWHQVDQHGT-DDHJBXDOSA-N 0 1 270.329 1.362 20 5 CDBDMN CCN(CCOc1ccccc1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000817471239 848001396 /nfs/dbraw/zinc/00/13/96/848001396.db2.gz 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CC(C)[N@@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000129947485 391841487 /nfs/dbraw/zinc/84/14/87/391841487.db2.gz VHFYJJZCYLLRIW-UHFFFAOYSA-N 0 1 281.312 1.370 20 5 CDBDMN O=C([O-])[C@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000238099348 131076799 /nfs/dbraw/zinc/07/67/99/131076799.db2.gz RSMBRGAAGGHSKQ-GFCCVEGCSA-N 0 1 280.280 1.523 20 5 CDBDMN C[C@H]1CN(CCCNc2ccc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000253602341 131144904 /nfs/dbraw/zinc/14/49/04/131144904.db2.gz ACTFHCOOOFBNNC-RYUDHWBXSA-N 0 1 294.355 1.901 20 5 CDBDMN COCCCCN(C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000419390510 392891821 /nfs/dbraw/zinc/89/18/21/392891821.db2.gz VEHZBNGFTNESSA-UHFFFAOYSA-N 0 1 295.339 1.892 20 5 CDBDMN CNC(=O)[C@@H]1CCC[C@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000429776290 393084921 /nfs/dbraw/zinc/08/49/21/393084921.db2.gz ZPMJLERCPMJVTO-BXKDBHETSA-N 0 1 295.314 1.738 20 5 CDBDMN C[C@@H](O)CN1CCN(c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000275462809 135107730 /nfs/dbraw/zinc/10/77/30/135107730.db2.gz ZAAPOOYVUNWFPV-VXGBXAGGSA-N 0 1 279.340 1.486 20 5 CDBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC000188720778 140099837 /nfs/dbraw/zinc/09/98/37/140099837.db2.gz SCYZQOARFGBITL-LURJTMIESA-N 0 1 295.686 1.857 20 5 CDBDMN O=[N+]([O-])c1cc(F)c(NCc2nnc[nH]2)c(F)c1 ZINC000227888882 140188094 /nfs/dbraw/zinc/18/80/94/140188094.db2.gz LUSPTCYWSZCNNZ-UHFFFAOYSA-N 0 1 255.184 1.603 20 5 CDBDMN Cc1ccccc1CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000119484698 147321315 /nfs/dbraw/zinc/32/13/15/147321315.db2.gz QYMSJJDQRBQIMR-UHFFFAOYSA-N 0 1 274.280 1.599 20 5 CDBDMN COc1cc([N+](=O)[O-])ccc1CN(C)[C@@H]1CCC[C@H]1O ZINC000352665864 155336705 /nfs/dbraw/zinc/33/67/05/155336705.db2.gz GDNGBMLHVHXSGX-CHWSQXEVSA-N 0 1 280.324 1.949 20 5 CDBDMN CCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@@H](C)O ZINC000352228879 155040877 /nfs/dbraw/zinc/04/08/77/155040877.db2.gz BDKWJMNUGOXZIU-LLVKDONJSA-N 0 1 295.339 1.260 20 5 CDBDMN Cc1cc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)n(C)n1 ZINC000356028138 157324794 /nfs/dbraw/zinc/32/47/94/157324794.db2.gz FAONUSMYNNYYBR-UHFFFAOYSA-N 0 1 290.279 1.272 20 5 CDBDMN CCCNC(=O)CNCc1cccc([N+](=O)[O-])c1 ZINC000035135789 172002833 /nfs/dbraw/zinc/00/28/33/172002833.db2.gz RDTYTMQXMWSATB-UHFFFAOYSA-N 0 1 251.286 1.211 20 5 CDBDMN CCNC(=O)[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000035140120 172008132 /nfs/dbraw/zinc/00/81/32/172008132.db2.gz POYINDAOJFKOQO-VHSXEESVSA-N 0 1 265.313 1.770 20 5 CDBDMN C[C@@H]1C[C@@H]1CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000453576406 270393322 /nfs/dbraw/zinc/39/33/22/270393322.db2.gz MRFOTQKOOPWNLQ-VXGBXAGGSA-N 0 1 276.340 1.768 20 5 CDBDMN C[C@H]1CNCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000126264145 274604414 /nfs/dbraw/zinc/60/44/14/274604414.db2.gz ZUZGNOWQPGGRHC-QMMMGPOBSA-N 0 1 283.715 1.682 20 5 CDBDMN CO[C@@H]1CCCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000269451859 277285244 /nfs/dbraw/zinc/28/52/44/277285244.db2.gz RGQFVVNFPHVHBO-SECBINFHSA-N 0 1 296.327 1.692 20 5 CDBDMN C[C@@H](CS(C)(=O)=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000081902552 278293079 /nfs/dbraw/zinc/29/30/79/278293079.db2.gz RTPBSYUFDALPMD-UWVGGRQHSA-N 0 1 286.353 1.679 20 5 CDBDMN C[C@@H](N[C@@H](C)C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000036793809 278361127 /nfs/dbraw/zinc/36/11/27/278361127.db2.gz ZSICAPYZPVIKEX-ZJUUUORDSA-N 0 1 265.313 1.722 20 5 CDBDMN Cc1ncsc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000152602839 289140216 /nfs/dbraw/zinc/14/02/16/289140216.db2.gz SKMXXAXWAZOVFA-UHFFFAOYSA-N 0 1 267.270 1.013 20 5 CDBDMN CO[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H](C(=O)[O-])C1 ZINC000563637805 316348977 /nfs/dbraw/zinc/34/89/77/316348977.db2.gz PKOGHOMMPKLVMW-YPMHNXCESA-N 0 1 294.307 1.659 20 5 CDBDMN CC(C)Oc1nc(N[C@H](C)c2nnc[nH]2)ccc1[N+](=O)[O-] ZINC000577626434 317371584 /nfs/dbraw/zinc/37/15/84/317371584.db2.gz FSTMLJSWZQSPQY-MRVPVSSYSA-N 0 1 292.299 1.490 20 5 CDBDMN CCOCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000048793213 519966708 /nfs/dbraw/zinc/96/67/08/519966708.db2.gz OEITVOJAZLHUCN-UHFFFAOYSA-N 0 1 278.268 1.237 20 5 CDBDMN CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000340838584 523923304 /nfs/dbraw/zinc/92/33/04/523923304.db2.gz HDUHVHPKGJTZLQ-SNVBAGLBSA-N 0 1 280.280 1.551 20 5 CDBDMN C[C@@H]1CC(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000338657342 526226035 /nfs/dbraw/zinc/22/60/35/526226035.db2.gz QUWBHKHMJTUMAX-RKDXNWHRSA-N 0 1 296.327 1.641 20 5 CDBDMN COc1ccc([N+](=O)[O-])c(C(=O)OCc2n[nH]c(C)n2)c1 ZINC000770643114 575480596 /nfs/dbraw/zinc/48/05/96/575480596.db2.gz QPSJHORSMYXFCK-UHFFFAOYSA-N 0 1 292.251 1.387 20 5 CDBDMN CC1(C)[C@@H]2OCC[C@H]2[C@@H]1OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000739365184 576217853 /nfs/dbraw/zinc/21/78/53/576217853.db2.gz GSPDVNKIZIOYFE-ONOSFVFSSA-N 0 1 280.280 1.893 20 5 CDBDMN C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000235328314 601519510 /nfs/dbraw/zinc/51/95/10/601519510.db2.gz NKHYWWQMJCJMDL-VXNVDRBHSA-N 0 1 270.310 1.809 20 5 CDBDMN C[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000828456825 601525453 /nfs/dbraw/zinc/52/54/53/601525453.db2.gz ONLMJEPTQQIUOK-BDAKNGLRSA-N 0 1 282.271 1.886 20 5 CDBDMN O=C(NC1(C2CCCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000891276428 617395046 /nfs/dbraw/zinc/39/50/46/617395046.db2.gz WGEADOPMEHTLOH-GHMZBOCLSA-N 0 1 252.314 1.881 20 5 CDBDMN COc1c(O)ccc(CN(C)CC2(O)CCC2)c1[N+](=O)[O-] ZINC000893577014 617610761 /nfs/dbraw/zinc/61/07/61/617610761.db2.gz DPGZPJFSHWECMM-UHFFFAOYSA-N 0 1 296.323 1.656 20 5 CDBDMN C[C@@H]1OCC[C@H]1COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000793424797 619277219 /nfs/dbraw/zinc/27/72/19/619277219.db2.gz DQDMCNGTEACJDD-YUMQZZPRSA-N 0 1 254.242 1.505 20 5 CDBDMN C[C@H]1COC[C@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000925194824 620545933 /nfs/dbraw/zinc/54/59/33/620545933.db2.gz PXNFOSYUVITEKL-GXSJLCMTSA-N 0 1 279.296 1.158 20 5 CDBDMN Cc1cc(C(=O)N2CC(N3CCCC3)C2)cc([N+](=O)[O-])c1 ZINC000898612577 621819649 /nfs/dbraw/zinc/81/96/49/621819649.db2.gz JTHQNSLRYFZRKV-UHFFFAOYSA-N 0 1 289.335 1.823 20 5 CDBDMN CCCCNC(=O)c1ccc(CNCC[N+](=O)[O-])cc1 ZINC000899871367 622497282 /nfs/dbraw/zinc/49/72/82/622497282.db2.gz RUSZYNJWECREJJ-UHFFFAOYSA-N 0 1 279.340 1.583 20 5 CDBDMN O=[N+]([O-])CCNC[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000905340607 626775401 /nfs/dbraw/zinc/77/54/01/626775401.db2.gz HPGRPMCZHHTFKZ-SNVBAGLBSA-N 0 1 294.229 1.485 20 5 CDBDMN Cc1ccc(C[C@H](CO)NCC[N+](=O)[O-])cc1C ZINC000905369058 626787211 /nfs/dbraw/zinc/78/72/11/626787211.db2.gz XNESZCGRFSECJW-CYBMUJFWSA-N 0 1 252.314 1.073 20 5 CDBDMN CC[C@@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000910358413 629026148 /nfs/dbraw/zinc/02/61/48/629026148.db2.gz UOJLLPQITLWTKN-SNVBAGLBSA-N 0 1 293.323 1.823 20 5 CDBDMN COc1ccc(C(C)=O)cc1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842362152 630633501 /nfs/dbraw/zinc/63/35/01/630633501.db2.gz FVWJJVGPDKQSAM-NXEZZACHSA-N 0 1 279.248 1.468 20 5 CDBDMN COC(=O)c1ccc(COC(=O)c2ccc([N+](=O)[O-])[nH]2)o1 ZINC000918508966 632378855 /nfs/dbraw/zinc/37/88/55/632378855.db2.gz FBAKAHTVSGFVGZ-UHFFFAOYSA-N 0 1 294.219 1.660 20 5 CDBDMN O=C(OCc1noc2c1CCCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000840671207 705329823 /nfs/dbraw/zinc/32/98/23/705329823.db2.gz PTHITEIZCFNIMV-PSASIEDQSA-N 0 1 266.253 1.262 20 5 CDBDMN O=C(NCc1cnc[nH]1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778287091 705898261 /nfs/dbraw/zinc/89/82/61/705898261.db2.gz JEGATRSDCUGGPM-UHFFFAOYSA-N 0 1 296.233 1.726 20 5 CDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000839719711 705910657 /nfs/dbraw/zinc/91/06/57/705910657.db2.gz XVXOJIPWPNIIDM-YVECIDJPSA-N 0 1 282.340 1.317 20 5 CDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCSC12CCCCC2 ZINC000848051421 706037282 /nfs/dbraw/zinc/03/72/82/706037282.db2.gz JFYXTIMUUBMETI-NXEZZACHSA-N 0 1 270.354 1.887 20 5 CDBDMN C[C@@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccn(C)n1 ZINC000839195663 706054094 /nfs/dbraw/zinc/05/40/94/706054094.db2.gz DMXJNWDTFOBUDY-QMTHXVAHSA-N 0 1 290.323 1.713 20 5 CDBDMN C[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000815078387 706074441 /nfs/dbraw/zinc/07/44/41/706074441.db2.gz BGOWCFJCCHDAHW-JTQLQIEISA-N 0 1 265.313 1.436 20 5 CDBDMN CC(C)c1nc(COC(=O)[C@@H]2CC2[N+](=O)[O-])co1 ZINC000841260617 706095996 /nfs/dbraw/zinc/09/59/96/706095996.db2.gz WXYKNWUHXPWXMG-RKDXNWHRSA-N 0 1 254.242 1.506 20 5 CDBDMN CC(C)[C@@H]([NH3+])c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000843147962 706114819 /nfs/dbraw/zinc/11/48/19/706114819.db2.gz JWNPQYUFFAXCGP-MRVPVSSYSA-N 0 1 251.246 1.629 20 5 CDBDMN O=[N+]([O-])c1cc(CN[C@@H](CO)C[C@H]2CCCO2)cs1 ZINC000886228735 706131866 /nfs/dbraw/zinc/13/18/66/706131866.db2.gz FKWZLMJJYVOXCB-GHMZBOCLSA-N 0 1 286.353 1.676 20 5 CDBDMN C[C@H](Cc1cccc(F)c1)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839798709 706216742 /nfs/dbraw/zinc/21/67/42/706216742.db2.gz WPDAVSDIEMCULA-OASPWFOLSA-N 0 1 280.299 1.880 20 5 CDBDMN CC[C@@H](NCc1c(C)ccc([N+](=O)[O-])c1C)C(=O)NC ZINC000873129469 706248557 /nfs/dbraw/zinc/24/85/57/706248557.db2.gz NIOIHRQIDRMYSD-GFCCVEGCSA-N 0 1 279.340 1.826 20 5 CDBDMN CC[C@@H](CNc1ccccc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839780469 709821368 /nfs/dbraw/zinc/82/13/68/709821368.db2.gz AHJCGLQNHRZYCR-CYZMBNFOSA-N 0 1 277.324 1.659 20 5 CDBDMN C[C@@H](CC(=O)c1cccs1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840404058 709829771 /nfs/dbraw/zinc/82/97/71/709829771.db2.gz RZHDFRHQBWRWJP-DJLDLDEBSA-N 0 1 282.321 1.491 20 5 CDBDMN O=C(NN1CCCC1=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000780702193 709842040 /nfs/dbraw/zinc/84/20/40/709842040.db2.gz LGGAYQOCIJKCFJ-UHFFFAOYSA-N 0 1 289.247 1.608 20 5 CDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(c2cccs2)CC1 ZINC000839700710 709844692 /nfs/dbraw/zinc/84/46/92/709844692.db2.gz HFESWBCSTMQDCM-NXEZZACHSA-N 0 1 281.337 1.062 20 5 CDBDMN Cc1ccc(NC(=O)[C@@H]2CCCN(CC[N+](=O)[O-])C2)nc1 ZINC000791055427 709887634 /nfs/dbraw/zinc/88/76/34/709887634.db2.gz UKEOHZIYWLINKB-GFCCVEGCSA-N 0 1 292.339 1.317 20 5 CDBDMN CC(C)(CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc(F)c1 ZINC000839685373 709985431 /nfs/dbraw/zinc/98/54/31/709985431.db2.gz DGJQROAWRVKXEC-VXGBXAGGSA-N 0 1 280.299 1.885 20 5 CDBDMN O=C(OCc1ccc2c[nH]nc2c1)[C@@H]1CC1[N+](=O)[O-] ZINC000842314533 710038143 /nfs/dbraw/zinc/03/81/43/710038143.db2.gz XTNAHNYRZQEJKD-MWLCHTKSSA-N 0 1 261.237 1.271 20 5 CDBDMN O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000839713552 710055691 /nfs/dbraw/zinc/05/56/91/710055691.db2.gz UNNASRMZZGGYGY-OOCWMUITSA-N 0 1 280.324 1.116 20 5 CDBDMN O=C(Nc1cnn(C2CCCC2)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000928791145 710233917 /nfs/dbraw/zinc/23/39/17/710233917.db2.gz BNKRFKZLKQKILR-GHMZBOCLSA-N 0 1 264.285 1.602 20 5 CDBDMN COCCCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837445767 710246642 /nfs/dbraw/zinc/24/66/42/710246642.db2.gz ZBBKNXOCAYAUTP-UHFFFAOYSA-N 0 1 269.253 1.770 20 5 CDBDMN COCC[C@@H](CO)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000311281904 710347053 /nfs/dbraw/zinc/34/70/53/710347053.db2.gz LZXLPKZOROIRSW-NSHDSACASA-N 0 1 288.731 1.735 20 5 CDBDMN CO[C@@H](C)c1nc(COC(=O)[C@@H]2CC2[N+](=O)[O-])cs1 ZINC000840673637 710359337 /nfs/dbraw/zinc/35/93/37/710359337.db2.gz WMUNQJLXJINUGB-NBEYISGCSA-N 0 1 286.309 1.559 20 5 CDBDMN O=C(O[C@H]([C@@H]1CCCOC1)C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000841207786 711618869 /nfs/dbraw/zinc/61/88/69/711618869.db2.gz JKHNGMMNPGGTPU-FNCVBFRFSA-N 0 1 297.229 1.552 20 5 CDBDMN O=C(NC[C@H](O)Cc1cccc(Cl)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000834811108 711635125 /nfs/dbraw/zinc/63/51/25/711635125.db2.gz NOHSWVMGFRPGFE-IJLUTSLNSA-N 0 1 298.726 1.025 20 5 CDBDMN NC(=O)c1ccc(CN2CCC[C@H](CF)C2)c([N+](=O)[O-])c1 ZINC000880232565 711684220 /nfs/dbraw/zinc/68/42/20/711684220.db2.gz CKUHERJVGVUNQL-SNVBAGLBSA-N 0 1 295.314 1.875 20 5 CDBDMN CC1=NO[C@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000854798206 711708362 /nfs/dbraw/zinc/70/83/62/711708362.db2.gz QTEGVLUHCYOTDO-NSHDSACASA-N 0 1 279.252 1.195 20 5 CDBDMN C[C@H](CN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000839798678 711765185 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5 CDBDMN O=C(CN[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccnc1 ZINC001254577920 947535939 /nfs/dbraw/zinc/53/59/39/947535939.db2.gz HVKJJFJZNAVWRJ-CQSZACIVSA-N 0 1 297.314 1.930 20 5 CDBDMN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1C[C@@H]3C[C@H]1CO3)C2 ZINC001254604336 947553435 /nfs/dbraw/zinc/55/34/35/947553435.db2.gz VPUPHEGPROJPQS-RDBSUJKOSA-N 0 1 260.293 1.535 20 5 CDBDMN COc1ccc2nc(-c3[nH]cnc3[N+](=O)[O-])[nH]c2c1 ZINC001251165819 950642963 /nfs/dbraw/zinc/64/29/63/950642963.db2.gz WIDRIYCSDRMZKS-UHFFFAOYSA-N 0 1 259.225 1.870 20 5 CDBDMN Cc1cncc([N+](=O)[O-])c1N[C@@H]1CCN(C2CC2)C1 ZINC001327614872 954961409 /nfs/dbraw/zinc/96/14/09/954961409.db2.gz AHBWYBZRVPLHRX-SNVBAGLBSA-N 0 1 262.313 1.369 20 5 CDBDMN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCNC(C)(C)C1 ZINC001327856294 955081425 /nfs/dbraw/zinc/08/14/25/955081425.db2.gz QFEKJMQHAOAACT-UHFFFAOYSA-N 0 1 292.339 1.461 20 5 CDBDMN O=C(NN1C[C@H]2CCC[C@@H]2C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001306040267 956295557 /nfs/dbraw/zinc/29/55/57/956295557.db2.gz BKMHJUARQSVOJO-NXEZZACHSA-N 0 1 291.307 1.677 20 5 CDBDMN C[N@H+]1CCCC[C@H]1CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000166733670 959320147 /nfs/dbraw/zinc/32/01/47/959320147.db2.gz PJNTUYMYIWVMJK-VIFPVBQESA-N 0 1 294.311 1.584 20 5 CDBDMN Cc1nnc(NC(=O)CSc2ccccc2[N+](=O)[O-])[nH]1 ZINC001355035294 969015164 /nfs/dbraw/zinc/01/51/64/969015164.db2.gz XPINLCSBWRZSBY-UHFFFAOYSA-N 0 1 293.308 1.752 20 5 CDBDMN Cc1n[nH]c(NC(=O)CSc2ccccc2[N+](=O)[O-])n1 ZINC001355035294 969015177 /nfs/dbraw/zinc/01/51/77/969015177.db2.gz XPINLCSBWRZSBY-UHFFFAOYSA-N 0 1 293.308 1.752 20 5 CDBDMN O=[N+]([O-])CCNCc1cccc(OC(F)(F)F)c1 ZINC001357128266 969536667 /nfs/dbraw/zinc/53/66/67/969536667.db2.gz YVNXERSPHJPWJS-UHFFFAOYSA-N 0 1 264.203 1.952 20 5 CDBDMN CC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C(=O)[O-] ZINC001603915625 974410828 /nfs/dbraw/zinc/41/08/28/974410828.db2.gz CCLSYGCCSFIFAH-MRVPVSSYSA-N 0 1 279.252 1.689 20 5 CDBDMN O=[N+]([O-])c1ccc(CN[C@H]2C[C@@H](CO)C2)c(F)c1 ZINC000601140322 342479733 /nfs/dbraw/zinc/47/97/33/342479733.db2.gz UEDBVEBXLZBQIZ-WAAGHKOSSA-N 0 1 254.261 1.594 20 5 CDBDMN Cc1[nH]ncc1CN(C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000601227230 342533653 /nfs/dbraw/zinc/53/36/53/342533653.db2.gz STTLMQBUQABEFW-UHFFFAOYSA-N 0 1 277.284 1.237 20 5 CDBDMN CCc1[nH]nc(C(=O)N2CC(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000590671438 342581925 /nfs/dbraw/zinc/58/19/25/342581925.db2.gz OCEWOILTTXKOKA-UHFFFAOYSA-N 0 1 292.217 1.515 20 5 CDBDMN COc1cc(CN(C)[C@H](C)CCO)c([N+](=O)[O-])cc1OC ZINC000593695203 342824132 /nfs/dbraw/zinc/82/41/32/342824132.db2.gz YNPGHTFCEQPLKT-SNVBAGLBSA-N 0 1 298.339 1.815 20 5 CDBDMN CN(CCN1CCCCC1)c1ncc([N+](=O)[O-])s1 ZINC000593516196 342805663 /nfs/dbraw/zinc/80/56/63/342805663.db2.gz NLYPIDUTLMIGBB-UHFFFAOYSA-N 0 1 270.358 1.973 20 5 CDBDMN COC[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593736622 342830945 /nfs/dbraw/zinc/83/09/45/342830945.db2.gz OYHWWQWXPDNIRU-JTQLQIEISA-N 0 1 294.307 1.761 20 5 CDBDMN CN(Cc1ccc(F)cc1[N+](=O)[O-])C(C)(C)CO ZINC000595322624 343035877 /nfs/dbraw/zinc/03/58/77/343035877.db2.gz TUAZBOYBMGZFTB-UHFFFAOYSA-N 0 1 256.277 1.937 20 5 CDBDMN CCN1C[C@@H](C)N(Cc2onc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000595405557 343050073 /nfs/dbraw/zinc/05/00/73/343050073.db2.gz YCIJUFCELBXYML-VHSXEESVSA-N 0 1 282.344 1.806 20 5 CDBDMN Cc1noc(CN2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000595543028 343093980 /nfs/dbraw/zinc/09/39/80/343093980.db2.gz HWUCEXWWUVAGBY-AXFHLTTASA-N 0 1 281.312 1.484 20 5 CDBDMN CC(C)c1nc(CNc2cc[nH]c(=O)c2[N+](=O)[O-])n[nH]1 ZINC000596249228 343274083 /nfs/dbraw/zinc/27/40/83/343274083.db2.gz DQPHUZCNOIQPFS-UHFFFAOYSA-N 0 1 278.272 1.549 20 5 CDBDMN Cc1cc(C(=O)N2CCC3(CN(C)C3)C2)cc([N+](=O)[O-])c1 ZINC000619574003 349808098 /nfs/dbraw/zinc/80/80/98/349808098.db2.gz DIAGKUFOJWUDTQ-UHFFFAOYSA-N 0 1 289.335 1.681 20 5 CDBDMN CCc1[nH]nc(C(=O)N2CC[C@@H]3C[C@@H]3C2)c1[N+](=O)[O-] ZINC000598331007 343760240 /nfs/dbraw/zinc/76/02/40/343760240.db2.gz OHQUJLGMQMWIFG-HTQZYQBOSA-N 0 1 264.285 1.362 20 5 CDBDMN CCOc1cc(CN(CCO)CCOC)ccc1[N+](=O)[O-] ZINC000276969747 362253645 /nfs/dbraw/zinc/25/36/45/362253645.db2.gz WUDKBKWPCMCUGT-UHFFFAOYSA-N 0 1 298.339 1.434 20 5 CDBDMN C[C@H](Cc1ccsc1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000536530563 282317909 /nfs/dbraw/zinc/31/79/09/282317909.db2.gz FXRDMSMZAFLNHC-SSDOTTSWSA-N 0 1 280.309 1.740 20 5 CDBDMN C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCC[N@H+]1C ZINC000436824189 362279452 /nfs/dbraw/zinc/27/94/52/362279452.db2.gz ACDSKBYDYZDQJZ-JOYOIKCWSA-N 0 1 293.323 1.513 20 5 CDBDMN Cc1[nH]n(-c2cccc([N+](=O)[O-])c2C)c(=O)c1CCO ZINC000601939533 344287416 /nfs/dbraw/zinc/28/74/16/344287416.db2.gz LUMFIHGLQTVPMF-SNVBAGLBSA-N 0 1 277.280 1.624 20 5 CDBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCS[C@@H](C)[C@H]1C ZINC000602780800 344596283 /nfs/dbraw/zinc/59/62/83/344596283.db2.gz LRRNTNBFVCHLHI-ZJUUUORDSA-N 0 1 284.385 1.926 20 5 CDBDMN COC[C@](C)(CO)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000602933695 344663368 /nfs/dbraw/zinc/66/33/68/344663368.db2.gz XDWOFSTWCBGTKP-LBPRGKRZSA-N 0 1 288.731 1.735 20 5 CDBDMN CN[C@@H](C)c1cn(Cc2cc([N+](=O)[O-])ccc2OC)nn1 ZINC000313903958 344909481 /nfs/dbraw/zinc/90/94/81/344909481.db2.gz CGBLZROIDWDUTA-VIFPVBQESA-N 0 1 291.311 1.524 20 5 CDBDMN CC(C)CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000072521782 345327335 /nfs/dbraw/zinc/32/73/35/345327335.db2.gz MHHLQHFBOMCVNQ-UHFFFAOYSA-N 0 1 264.329 1.768 20 5 CDBDMN Nc1nc(Nc2cnn(CC3CC3)c2)ncc1[N+](=O)[O-] ZINC000610285029 346243342 /nfs/dbraw/zinc/24/33/42/346243342.db2.gz FYMMSWZCIJMLCK-UHFFFAOYSA-N 0 1 275.272 1.147 20 5 CDBDMN O=[N+]([O-])c1ncccc1N1CCN(C2CCOCC2)CC1 ZINC000610480084 346290220 /nfs/dbraw/zinc/29/02/20/346290220.db2.gz GBGADMYVVGAAOJ-UHFFFAOYSA-N 0 1 292.339 1.291 20 5 CDBDMN O=[N+]([O-])c1ncccc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000610541902 346308055 /nfs/dbraw/zinc/30/80/55/346308055.db2.gz KXYGVLFEAHETLQ-GFCCVEGCSA-N 0 1 292.339 1.148 20 5 CDBDMN COc1ccc(CNC(=O)[C@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000610560019 346310119 /nfs/dbraw/zinc/31/01/19/346310119.db2.gz NFWPSENQEIMQDJ-VIFPVBQESA-N 0 1 281.312 1.170 20 5 CDBDMN Cc1nc(CCNc2nc(C)ccc2[N+](=O)[O-])n[nH]1 ZINC000268825907 365834752 /nfs/dbraw/zinc/83/47/52/365834752.db2.gz QRVPXLUUYQLVQZ-UHFFFAOYSA-N 0 1 262.273 1.379 20 5 CDBDMN Cc1nnc(CCNc2nc(C)ccc2[N+](=O)[O-])[nH]1 ZINC000268825907 365834759 /nfs/dbraw/zinc/83/47/59/365834759.db2.gz QRVPXLUUYQLVQZ-UHFFFAOYSA-N 0 1 262.273 1.379 20 5 CDBDMN Cc1cc(N2CCN(C)[C@@H](C)[C@H]2C)ncc1[N+](=O)[O-] ZINC000611299135 346740884 /nfs/dbraw/zinc/74/08/84/346740884.db2.gz QKRAUQUANDKRKR-WDEREUQCSA-N 0 1 264.329 1.827 20 5 CDBDMN Cc1ccncc1[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000611299817 346741561 /nfs/dbraw/zinc/74/15/61/346741561.db2.gz KQYVNMQTLGYKQT-QMMMGPOBSA-N 0 1 275.268 1.512 20 5 CDBDMN C[C@@]1(NC(=O)c2n[nH]cc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000273358490 192125470 /nfs/dbraw/zinc/12/54/70/192125470.db2.gz CZMGXRHVWVZQOO-CMPLNLGQSA-N 0 1 280.284 1.005 20 5 CDBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)NCCCc1nc[nH]n1 ZINC000080568664 351095920 /nfs/dbraw/zinc/09/59/20/351095920.db2.gz LGZIHJKZXHKQQG-UHFFFAOYSA-N 0 1 289.295 1.004 20 5 CDBDMN CC(C)(C)SCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000131622546 187577260 /nfs/dbraw/zinc/57/72/60/187577260.db2.gz HQYIPICLKKZUKI-UHFFFAOYSA-N 0 1 272.330 1.579 20 5 CDBDMN Cc1nn(Cc2n[nH]c(C(C)(C)C)n2)c(C)c1[N+](=O)[O-] ZINC000292399174 198273602 /nfs/dbraw/zinc/27/36/02/198273602.db2.gz IWGUHKUKPCUBMN-UHFFFAOYSA-N 0 1 278.316 1.872 20 5 CDBDMN C[C@@](CO)(NC(=O)c1n[nH]cc1[N+](=O)[O-])C1CCCCC1 ZINC000157872259 188343847 /nfs/dbraw/zinc/34/38/47/188343847.db2.gz GNRDUYKNNUFJEY-ZDUSSCGKSA-N 0 1 296.327 1.379 20 5 CDBDMN COCc1ccccc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159801325 363326820 /nfs/dbraw/zinc/32/68/20/363326820.db2.gz XNWHCCZUXNSOQS-UHFFFAOYSA-N 0 1 290.279 1.394 20 5 CDBDMN Cc1nc(CN2CCc3c2cccc3[N+](=O)[O-])n[nH]1 ZINC000293367419 198614868 /nfs/dbraw/zinc/61/48/68/198614868.db2.gz YUQNXCJYJPCLGI-UHFFFAOYSA-N 0 1 259.269 1.584 20 5 CDBDMN CCNC(=O)[C@@H](NCc1cccc([N+](=O)[O-])c1)C(C)C ZINC000293370591 198615372 /nfs/dbraw/zinc/61/53/72/198615372.db2.gz VHCAXRQSAACFOD-ZDUSSCGKSA-N 0 1 279.340 1.845 20 5 CDBDMN O=C(NOC1CCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272567729 191794152 /nfs/dbraw/zinc/79/41/52/191794152.db2.gz OPAIUTPJTXSRGZ-UHFFFAOYSA-N 0 1 266.253 1.904 20 5 CDBDMN Cc1nc([C@@H](C)NC(=O)c2c(C)cccc2[N+](=O)[O-])n[nH]1 ZINC000286281957 356243096 /nfs/dbraw/zinc/24/30/96/356243096.db2.gz GYVGRNGRGBFTCF-MRVPVSSYSA-N 0 1 289.295 1.821 20 5 CDBDMN CN(CC[N@@H+](C)C1CC1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000186721503 357678739 /nfs/dbraw/zinc/67/87/39/357678739.db2.gz XEPMIOGKZFANRZ-UHFFFAOYSA-N 0 1 293.323 1.467 20 5 CDBDMN C[NH+](C)CC(C)(C)CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186761427 357685823 /nfs/dbraw/zinc/68/58/23/357685823.db2.gz OULGGYNJYNTJJJ-UHFFFAOYSA-N 0 1 296.327 1.013 20 5 CDBDMN O=C(NC1CCC(F)(F)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000408038554 357770135 /nfs/dbraw/zinc/77/01/35/357770135.db2.gz NGUSIHUYSYFRGQ-UHFFFAOYSA-N 0 1 274.227 1.626 20 5 CDBDMN Cc1c(CC(=O)N2CCN[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000189003123 357961369 /nfs/dbraw/zinc/96/13/69/357961369.db2.gz VDXKCQHQLXQRJO-SNVBAGLBSA-N 0 1 277.324 1.266 20 5 CDBDMN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCNCC1 ZINC000019474170 363592932 /nfs/dbraw/zinc/59/29/32/363592932.db2.gz CPENSFKLVNPKRU-ZZXKWVIFSA-N 0 1 261.281 1.040 20 5 CDBDMN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1CO ZINC000361657828 358407541 /nfs/dbraw/zinc/40/75/41/358407541.db2.gz DFAZKRGBIOXKSK-MWLCHTKSSA-N 0 1 268.288 1.794 20 5 CDBDMN Cc1cnc(NCc2n[nH]c(C3CC3)n2)c([N+](=O)[O-])c1 ZINC000294906151 199241444 /nfs/dbraw/zinc/24/14/44/199241444.db2.gz HSOQJFAKIAEOBC-UHFFFAOYSA-N 0 1 274.284 1.906 20 5 CDBDMN CO[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000103201140 358908784 /nfs/dbraw/zinc/90/87/84/358908784.db2.gz KTRNJGZZULSCDH-SSDOTTSWSA-N 0 1 291.267 1.353 20 5 CDBDMN CC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000179379862 366533068 /nfs/dbraw/zinc/53/30/68/366533068.db2.gz XHLPGUWOXZVBBJ-UHFFFAOYSA-N 0 1 279.296 1.078 20 5 CDBDMN CN(Cc1nnc[nH]1)c1c(F)cccc1[N+](=O)[O-] ZINC000342384783 359030728 /nfs/dbraw/zinc/03/07/28/359030728.db2.gz SFAUTJFGXQPXGA-UHFFFAOYSA-N 0 1 251.221 1.488 20 5 CDBDMN CC[C@H]1CN(c2ccc([N+](=O)[O-])cn2)CCN1CCOC ZINC000105791323 358986436 /nfs/dbraw/zinc/98/64/36/358986436.db2.gz ROENUAMRUFPBFJ-LBPRGKRZSA-N 0 1 294.355 1.537 20 5 CDBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CS(=O)(=O)C[C@H]1C ZINC000342411654 359047418 /nfs/dbraw/zinc/04/74/18/359047418.db2.gz CZBFWIYQTAJJEN-MFKMUULPSA-N 0 1 298.364 1.426 20 5 CDBDMN C[C@@H]1C[NH+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H](C)N1C ZINC000339618065 359416399 /nfs/dbraw/zinc/41/63/99/359416399.db2.gz ALDDRODAMPMEBU-CHWSQXEVSA-N 0 1 293.367 1.998 20 5 CDBDMN COc1cc(C[N@@H+](CC(=O)[O-])C(C)C)ccc1[N+](=O)[O-] ZINC000571649404 359595519 /nfs/dbraw/zinc/59/55/19/359595519.db2.gz PEJVSGGTZVVANN-UHFFFAOYSA-N 0 1 282.296 1.898 20 5 CDBDMN CC(C)Oc1nc(N(C)Cc2nnc[nH]2)ccc1[N+](=O)[O-] ZINC000571776203 359611831 /nfs/dbraw/zinc/61/18/31/359611831.db2.gz UWMOQPZFQARMDK-UHFFFAOYSA-N 0 1 292.299 1.532 20 5 CDBDMN Cc1[nH]nc(C(=O)N(C)[C@H]2CC2(C)C)c1[N+](=O)[O-] ZINC000408377294 359704423 /nfs/dbraw/zinc/70/44/23/359704423.db2.gz WIBSLSXQSNSNCI-ZETCQYMHSA-N 0 1 252.274 1.497 20 5 CDBDMN CCCc1[nH]nc(C(=O)N(C)CC(C)(C)O)c1[N+](=O)[O-] ZINC000176895508 189013292 /nfs/dbraw/zinc/01/32/92/189013292.db2.gz ZKGQZSRMEYIVDQ-UHFFFAOYSA-N 0 1 284.316 1.113 20 5 CDBDMN O=C([O-])[C@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000238099438 360736982 /nfs/dbraw/zinc/73/69/82/360736982.db2.gz SKYIQMZKWTWACZ-GFCCVEGCSA-N 0 1 280.280 1.523 20 5 CDBDMN Cc1ccc(NC(=O)N[C@@H](C)c2nnc[nH]2)cc1[N+](=O)[O-] ZINC000180587483 189263459 /nfs/dbraw/zinc/26/34/59/189263459.db2.gz MIUORZAALVBMBH-QMMMGPOBSA-N 0 1 290.283 1.904 20 5 CDBDMN C[C@H](Cc1cnc[nH]1)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000581080215 363964225 /nfs/dbraw/zinc/96/42/25/363964225.db2.gz MICVGKKMEGCOCL-SNVBAGLBSA-N 0 1 288.307 1.813 20 5 CDBDMN O=C(N[C@H]1C[C@@H]1C(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000345838375 364030455 /nfs/dbraw/zinc/03/04/55/364030455.db2.gz CTSREWLVZDLXOW-CBAPKCEASA-N 0 1 296.233 1.855 20 5 CDBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)N[C@@H](C)C2)c1 ZINC000088147766 364263255 /nfs/dbraw/zinc/26/32/55/364263255.db2.gz KXMFXSAXQKNGLP-PHIMTYICSA-N 0 1 277.324 1.726 20 5 CDBDMN CO[C@H]([C@@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CC1 ZINC000456537865 364539605 /nfs/dbraw/zinc/53/96/05/364539605.db2.gz BFWRFPWZNFDTOX-AMIZOPFISA-N 0 1 294.307 1.844 20 5 CDBDMN C[C@@H](C[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000042707477 364614683 /nfs/dbraw/zinc/61/46/83/364614683.db2.gz FIXLEFGLFMHOPG-JTQLQIEISA-N 0 1 266.297 1.790 20 5 CDBDMN C[C@H]1CN(C)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000353597510 364896714 /nfs/dbraw/zinc/89/67/14/364896714.db2.gz TXNNFFJEWJKXCC-VIFPVBQESA-N 0 1 255.343 1.792 20 5 CDBDMN CC1(C)CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1O ZINC000275440510 193038174 /nfs/dbraw/zinc/03/81/74/193038174.db2.gz KFANHTBQCIWHQE-KBPBESRZSA-N 0 1 294.351 1.721 20 5 CDBDMN Cc1cc([N+](=O)[O-])ccc1CN(C)[C@H]1COC[C@H]1O ZINC000348634358 367589908 /nfs/dbraw/zinc/58/99/08/367589908.db2.gz LPAYXGCXRQQWDN-QWHCGFSZSA-N 0 1 266.297 1.095 20 5 CDBDMN Cn1cnc([N+](=O)[O-])c1N1CCN(C2CCC2)CC1 ZINC000264956981 367893667 /nfs/dbraw/zinc/89/36/67/367893667.db2.gz MKJCPRVFEOPRKF-UHFFFAOYSA-N 0 1 265.317 1.003 20 5 CDBDMN C[C@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CCN1 ZINC000269220217 367941805 /nfs/dbraw/zinc/94/18/05/367941805.db2.gz REUSLPJSVUCKJX-QMMMGPOBSA-N 0 1 283.715 1.682 20 5 CDBDMN CC(C)C(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC000037562576 369080003 /nfs/dbraw/zinc/08/00/03/369080003.db2.gz KOPGCHBFSDMCQN-UHFFFAOYSA-N 0 1 271.342 1.518 20 5 CDBDMN C[C@@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H]1CO ZINC000276092269 193211226 /nfs/dbraw/zinc/21/12/26/193211226.db2.gz 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CC[C@H]1C[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1O ZINC000339057922 281170262 /nfs/dbraw/zinc/17/02/62/281170262.db2.gz IKYMJHVXOPZOEG-ZANVPECISA-N 0 1 266.297 1.503 20 5 CDBDMN O=C(NCCc1cccc(F)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000159185547 289328368 /nfs/dbraw/zinc/32/83/68/289328368.db2.gz GBBCVAKRTZTZLP-UHFFFAOYSA-N 0 1 278.243 1.430 20 5 CDBDMN COc1cc(C[N@@H+](C)CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000563282176 293332599 /nfs/dbraw/zinc/33/25/99/293332599.db2.gz FMJHIVILQYUJDQ-UHFFFAOYSA-N 0 1 254.242 1.120 20 5 CDBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[N@@H+](C)C[C@@H]2C)n1 ZINC000571213324 294390542 /nfs/dbraw/zinc/39/05/42/294390542.db2.gz BNPYMUGWBBRPKT-VIFPVBQESA-N 0 1 294.311 1.137 20 5 CDBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[N@H+](C)C[C@@H]2C)n1 ZINC000571213324 294390546 /nfs/dbraw/zinc/39/05/46/294390546.db2.gz BNPYMUGWBBRPKT-VIFPVBQESA-N 0 1 294.311 1.137 20 5 CDBDMN CO[C@@H]1COC[C@H]1N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000576702922 317190475 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CDBDMN COC[C@@H](N)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000262381842 536665707 /nfs/dbraw/zinc/66/57/07/536665707.db2.gz XZBURFVIDWNYMG-GXSJLCMTSA-N 0 1 281.312 1.054 20 5 CDBDMN [NH3+][C@@H](CCC(=O)[O-])c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC001601176646 1174773720 /nfs/dbraw/zinc/77/37/20/1174773720.db2.gz HTOYBGDCWKQREJ-YFKPBYRVSA-N 0 1 298.280 1.571 20 5 CDBDMN CCC[N@@H+](C)CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000737007278 575791531 /nfs/dbraw/zinc/79/15/31/575791531.db2.gz DJZGENIEPNUFFA-UHFFFAOYSA-N 0 1 295.295 1.573 20 5 CDBDMN Cc1nn(C[N@@H+]2CCC[C@@H](C(=O)[O-])C2)c(C)c1[N+](=O)[O-] ZINC000738929097 576136941 /nfs/dbraw/zinc/13/69/41/576136941.db2.gz WXIICKGYXCUXSM-SNVBAGLBSA-N 0 1 282.300 1.162 20 5 CDBDMN Cc1nn(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)c(C)c1[N+](=O)[O-] ZINC000738929097 576136943 /nfs/dbraw/zinc/13/69/43/576136943.db2.gz WXIICKGYXCUXSM-SNVBAGLBSA-N 0 1 282.300 1.162 20 5 CDBDMN O=C([O-])[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000250255545 605189269 /nfs/dbraw/zinc/18/92/69/605189269.db2.gz QGMMTDHDSPNNJA-NWDGAFQWSA-N 0 1 280.280 1.177 20 5 CDBDMN C[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)[O-] ZINC000833628008 605191259 /nfs/dbraw/zinc/19/12/59/605191259.db2.gz ZHAKYBWLCCXNDK-WQAKAFBOSA-N 0 1 294.307 1.281 20 5 CDBDMN CN1C[C@@H]2CCN(c3ncc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000893935599 618195571 /nfs/dbraw/zinc/19/55/71/618195571.db2.gz RDJJWBKWVWSIHN-GZMMTYOYSA-N 0 1 266.276 1.269 20 5 CDBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000840672562 618524088 /nfs/dbraw/zinc/52/40/88/618524088.db2.gz UGXVGUDGLSCYKY-PREPNJAASA-N 0 1 298.339 1.278 20 5 CDBDMN Cc1ccc([N+](=O)[O-])c(N[C@H](C)[C@H]2CN(C)CCN2C)n1 ZINC000895246321 619491659 /nfs/dbraw/zinc/49/16/59/619491659.db2.gz MYMWFGPOLLPAAN-DGCLKSJQSA-N 0 1 293.371 1.344 20 5 CDBDMN C[C@@H](Nc1ncccc1[N+](=O)[O-])[C@@H]1CN(C)CCN1C ZINC000895246892 619493345 /nfs/dbraw/zinc/49/33/45/619493345.db2.gz QXOUJWOLVXHDEZ-PWSUYJOCSA-N 0 1 279.344 1.036 20 5 CDBDMN O=[N+]([O-])CCNCc1ccc(Cn2cccn2)cc1 ZINC000899865802 622498669 /nfs/dbraw/zinc/49/86/69/622498669.db2.gz JPCQZNDRMZYUEW-UHFFFAOYSA-N 0 1 260.297 1.298 20 5 CDBDMN CN(C)[C@H](CNCC[N+](=O)[O-])c1c(F)cccc1F ZINC000905121901 626632603 /nfs/dbraw/zinc/63/26/03/626632603.db2.gz QYRVQORFJQSGCF-LLVKDONJSA-N 0 1 273.283 1.434 20 5 CDBDMN COc1cc(OC)cc(N2CC[C@@H](NCC[N+](=O)[O-])C2)c1 ZINC000905148754 626659377 /nfs/dbraw/zinc/65/93/77/626659377.db2.gz PGKNJOVWSNHIKE-LLVKDONJSA-N 0 1 295.339 1.149 20 5 CDBDMN CC(C)[C@H](CO)N(CC[N+](=O)[O-])Cc1ccccc1 ZINC000929796400 631076107 /nfs/dbraw/zinc/07/61/07/631076107.db2.gz LHFUBFQAPNEBQR-AWEZNQCLSA-N 0 1 266.341 1.782 20 5 CDBDMN CC[N@H+]1CC[C@@H]1CNC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000888278509 631739734 /nfs/dbraw/zinc/73/97/34/631739734.db2.gz WVSBGZMYMAIMQS-SNVBAGLBSA-N 0 1 296.302 1.950 20 5 CDBDMN CCN1CC[C@@H]1CNC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000888278509 631739740 /nfs/dbraw/zinc/73/97/40/631739740.db2.gz WVSBGZMYMAIMQS-SNVBAGLBSA-N 0 1 296.302 1.950 20 5 CDBDMN COc1ccc(C[C@H](C)N[C@H]2COC[C@@H]2F)c([N+](=O)[O-])c1 ZINC001170328088 1162337869 /nfs/dbraw/zinc/33/78/69/1162337869.db2.gz UUKHPZWYGKMJNV-XDTLVQLUSA-N 0 1 298.314 1.861 20 5 CDBDMN O=[N+]([O-])c1cccc(Oc2ccnc(-c3nn[nH]n3)n2)c1 ZINC001607084737 1164072987 /nfs/dbraw/zinc/07/29/87/1164072987.db2.gz WCNXLIDDEXKQIQ-UHFFFAOYSA-N 0 1 285.223 1.357 20 5 CDBDMN C[C@@](N)(C(=O)NCc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC001576085528 1171328917 /nfs/dbraw/zinc/32/89/17/1171328917.db2.gz LAYSMGXFZOHFBK-AWEZNQCLSA-N 0 1 289.291 1.678 20 5 CDBDMN CC[C@@H](C)[C@@H](C)n1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 ZINC001603999299 1175712790 /nfs/dbraw/zinc/71/27/90/1175712790.db2.gz JJZKGNOQNKPSJQ-RNFRBKRXSA-N 0 1 265.277 1.579 20 5 CDBDMN O=C(Nc1cccc(OCCF)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839704601 728771451 /nfs/dbraw/zinc/77/14/51/728771451.db2.gz ZDFREPAOUJRFAA-GHMZBOCLSA-N 0 1 268.244 1.639 20 5 CDBDMN Nc1cc(N)nc(SCc2ccc([N+](=O)[O-])c(F)c2)n1 ZINC000094774041 728834603 /nfs/dbraw/zinc/83/46/03/728834603.db2.gz JNCMDYJZZLJCNQ-UHFFFAOYSA-N 0 1 295.299 1.981 20 5 CDBDMN C[C@H](NCCS(=O)(=O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000840880748 728836610 /nfs/dbraw/zinc/83/66/10/728836610.db2.gz FMKVSCAILCMWGR-JTQLQIEISA-N 0 1 298.364 1.823 20 5 CDBDMN C[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccn(C)n1 ZINC000839195527 728850630 /nfs/dbraw/zinc/85/06/30/728850630.db2.gz BTQOQUYEAGJRGA-HZMBPMFUSA-N 0 1 290.323 1.713 20 5 CDBDMN O=C(O[C@H](C1CC1)C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000842320130 730053224 /nfs/dbraw/zinc/05/32/24/730053224.db2.gz PRXMPWYWMVXEFM-FSDSQADBSA-N 0 1 253.176 1.536 20 5 CDBDMN CCC(=O)N[C@@H]1[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001025636941 728481779 /nfs/dbraw/zinc/48/17/79/728481779.db2.gz JEDDKNSBPXLHSX-NHAGDIPZSA-N 0 1 289.335 1.551 20 5 CDBDMN Nc1nccc(C(=O)OCCN2CCCCC2)c1[N+](=O)[O-] ZINC000848787703 728578665 /nfs/dbraw/zinc/57/86/65/728578665.db2.gz RMHIIFUXRLZVQE-UHFFFAOYSA-N 0 1 294.311 1.215 20 5 CDBDMN O=C(NCc1cc(C2CC2)ccc1F)[C@@H]1CC1[N+](=O)[O-] ZINC000839781625 729107591 /nfs/dbraw/zinc/10/75/91/729107591.db2.gz VSKFSMVEVHAAFE-DGCLKSJQSA-N 0 1 278.283 1.985 20 5 CDBDMN CCNC(=O)CNCc1cccc([N+](=O)[O-])c1C ZINC000036780548 729146335 /nfs/dbraw/zinc/14/63/35/729146335.db2.gz MLTIMPRMNSHIGK-UHFFFAOYSA-N 0 1 251.286 1.129 20 5 CDBDMN O=[N+]([O-])CCN1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000930512889 729226632 /nfs/dbraw/zinc/22/66/32/729226632.db2.gz HVNMCUUMVADYKB-CQSZACIVSA-N 0 1 262.309 1.733 20 5 CDBDMN CC(C)(C)C(=O)NC[C@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000929633459 729272172 /nfs/dbraw/zinc/27/21/72/729272172.db2.gz XDNOPTSHJKAOEB-LLVKDONJSA-N 0 1 271.361 1.137 20 5 CDBDMN O=[N+]([O-])c1ncccc1CN1CC[C@H](C2OCCO2)C1 ZINC000931998795 729275522 /nfs/dbraw/zinc/27/55/22/729275522.db2.gz OYFQXNGALBPBHY-NSHDSACASA-N 0 1 279.296 1.185 20 5 CDBDMN O=C(N[C@H]1CCN(c2ccccc2F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839780161 729292682 /nfs/dbraw/zinc/29/26/82/729292682.db2.gz YFUDHBDRZSPGRO-OPQQBVKSSA-N 0 1 293.298 1.186 20 5 CDBDMN CC(C)CCNC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867949495 729300813 /nfs/dbraw/zinc/30/08/13/729300813.db2.gz AHHYQHRHLWLGHO-AWEZNQCLSA-N 0 1 279.340 1.931 20 5 CDBDMN Cc1cc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)ncn1 ZINC000819190045 729346594 /nfs/dbraw/zinc/34/65/94/729346594.db2.gz ZCTRGJWMRPIELJ-AWEZNQCLSA-N 0 1 288.307 1.516 20 5 CDBDMN CN(Cc1c(F)cccc1F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839779418 729380478 /nfs/dbraw/zinc/38/04/78/729380478.db2.gz YEEZRZUKCPCWGV-RDDDGLTNSA-N 0 1 270.235 1.588 20 5 CDBDMN CC(C)NCc1cn(Cc2cccc([N+](=O)[O-])c2)nn1 ZINC000090297016 729399720 /nfs/dbraw/zinc/39/97/20/729399720.db2.gz CDYXSMKGHGIZMA-UHFFFAOYSA-N 0 1 275.312 1.733 20 5 CDBDMN CCN1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000882493187 729477918 /nfs/dbraw/zinc/47/79/18/729477918.db2.gz ZDZJUEANFYLHJL-LLVKDONJSA-N 0 1 293.323 1.427 20 5 CDBDMN C[C@@H](Cc1cccc(O)c1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839712340 729516751 /nfs/dbraw/zinc/51/67/51/729516751.db2.gz QYNJJJKZOHQYCT-XXILOJSOSA-N 0 1 264.281 1.105 20 5 CDBDMN Cc1cc([N+](=O)[O-])ccc1N1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000829015408 729697414 /nfs/dbraw/zinc/69/74/14/729697414.db2.gz IDGHRBVGDDRGSB-BETUJISGSA-N 0 1 293.367 1.795 20 5 CDBDMN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1nnc[nH]1 ZINC000176749606 729713040 /nfs/dbraw/zinc/71/30/40/729713040.db2.gz MFRFTPGXGYAAFK-ZCFIWIBFSA-N 0 1 295.686 1.857 20 5 CDBDMN C[N@H+]1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1(C)C ZINC000166765849 729730172 /nfs/dbraw/zinc/73/01/72/729730172.db2.gz CVGJVYMZQYHRET-UHFFFAOYSA-N 0 1 294.311 1.218 20 5 CDBDMN O=C(COC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc2c(c1)COC2 ZINC000840670226 729795835 /nfs/dbraw/zinc/79/58/35/729795835.db2.gz DGQCYDFANSLLGG-VXGBXAGGSA-N 0 1 291.259 1.108 20 5 CDBDMN Cc1c(CNc2n[nH]c(N(C)C)n2)cccc1[N+](=O)[O-] ZINC000873126174 729824717 /nfs/dbraw/zinc/82/47/17/729824717.db2.gz OVBBHDBXNWEAGW-UHFFFAOYSA-N 0 1 276.300 1.699 20 5 CDBDMN CCN[C@@H](C)c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000863676898 729827733 /nfs/dbraw/zinc/82/77/33/729827733.db2.gz DVEHFCWFZUVAMQ-LURJTMIESA-N 0 1 252.230 1.908 20 5 CDBDMN CC1(C)[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]2CCO[C@H]21 ZINC000842309320 729834484 /nfs/dbraw/zinc/83/44/84/729834484.db2.gz PEFOMNYBIYPXSO-VVULQXIFSA-N 0 1 255.270 1.008 20 5 CDBDMN C[C@@H](NCC[N+](=O)[O-])[C@H]1OCCc2sccc21 ZINC000930560711 729852730 /nfs/dbraw/zinc/85/27/30/729852730.db2.gz NCCXJCHFYBJBIF-LDYMZIIASA-N 0 1 256.327 1.617 20 5 CDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC(C2CC2)(C2CC2)C1 ZINC000856079151 729869164 /nfs/dbraw/zinc/86/91/64/729869164.db2.gz UMTMSRMAKWIREW-VXGBXAGGSA-N 0 1 280.324 1.069 20 5 CDBDMN O=C(N[C@H]1c2ccccc2CC[C@H]1F)[C@@H]1CC1[N+](=O)[O-] ZINC000882703492 729995035 /nfs/dbraw/zinc/99/50/35/729995035.db2.gz CVBGIAJWYSWYOA-LPWJVIDDSA-N 0 1 278.283 1.793 20 5 CDBDMN CC[N@@H+](CC(=O)[O-])C1CC(Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000263565209 730028293 /nfs/dbraw/zinc/02/82/93/730028293.db2.gz VMIJOTMUWJJLJP-UHFFFAOYSA-N 0 1 293.323 1.944 20 5 CDBDMN O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000839596538 730360820 /nfs/dbraw/zinc/36/08/20/730360820.db2.gz YVUOXYSSHSGCLM-DDHJBXDOSA-N 0 1 264.256 1.463 20 5 CDBDMN O=C(NCC1(CCO)CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000840398622 730362288 /nfs/dbraw/zinc/36/22/88/730362288.db2.gz ZHBQTOAECVGATK-GHMZBOCLSA-N 0 1 270.329 1.101 20 5 CDBDMN O=C(NCc1cccc2ncccc12)[C@@H]1CC1[N+](=O)[O-] ZINC000834664088 730417002 /nfs/dbraw/zinc/41/70/02/730417002.db2.gz XMSVFDBSOSQUIR-DGCLKSJQSA-N 0 1 271.276 1.516 20 5 CDBDMN CC(C)(C)[C@@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000839717362 905458533 /nfs/dbraw/zinc/45/85/33/905458533.db2.gz GXZGPUMRZMOGQG-DBIOUOCHSA-N 0 1 270.329 1.362 20 5 CDBDMN CCO[C@H]1C[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C12CCOCC2 ZINC000842338818 909753086 /nfs/dbraw/zinc/75/30/86/909753086.db2.gz MHWIADIOHIPUMY-WISYIIOYSA-N 0 1 299.323 1.169 20 5 CDBDMN O=C(Cc1cnc[nH]1)NCCNc1ccccc1[N+](=O)[O-] ZINC001094150757 910370752 /nfs/dbraw/zinc/37/07/52/910370752.db2.gz ZVCFJBXWHRHADW-UHFFFAOYSA-N 0 1 289.295 1.089 20 5 CDBDMN Cc1ccccc1C[C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839549886 936914926 /nfs/dbraw/zinc/91/49/26/936914926.db2.gz ONHVMRHZSIYAIJ-RAIGVLPGSA-N 0 1 262.309 1.707 20 5 CDBDMN C[C@@H](N[C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ncc(F)cn1 ZINC001168985116 927573037 /nfs/dbraw/zinc/57/30/37/927573037.db2.gz DDFAGJMOQDHSSY-KKZNHRDASA-N 0 1 268.292 1.712 20 5 CDBDMN CC1(C)CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169036722 927647553 /nfs/dbraw/zinc/64/75/53/927647553.db2.gz PVAUHXTYDALJKX-GHMZBOCLSA-N 0 1 254.330 1.733 20 5 CDBDMN Cn1cnc2c1CCN([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169039225 927649871 /nfs/dbraw/zinc/64/98/71/927649871.db2.gz OGPXDPPJDGSAQD-MNOVXSKESA-N 0 1 264.329 1.224 20 5 CDBDMN CN1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2cccnc21 ZINC001169026224 927666672 /nfs/dbraw/zinc/66/66/72/927666672.db2.gz WADQZAOOLASDJI-OCCSQVGLSA-N 0 1 290.367 1.779 20 5 CDBDMN O=[N+]([O-])c1c(F)cccc1NCCN1CC[C@H](O)C1 ZINC000858866758 928931664 /nfs/dbraw/zinc/93/16/64/928931664.db2.gz GQVOWHLXZVTXSU-VIFPVBQESA-N 0 1 269.276 1.212 20 5 CDBDMN CCOc1cc(N[C@@](N)(CC)CO)ccc1[N+](=O)[O-] ZINC001170865364 930518032 /nfs/dbraw/zinc/51/80/32/930518032.db2.gz CJWNMBYFHKACCV-LBPRGKRZSA-N 0 1 269.301 1.463 20 5 CDBDMN O=C1NCCN1CCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000886323877 930860638 /nfs/dbraw/zinc/86/06/38/930860638.db2.gz OPZXAUYLHWDLJT-UHFFFAOYSA-N 0 1 298.730 1.363 20 5 CDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1[C@H]1CCCOC1 ZINC000843929395 931515848 /nfs/dbraw/zinc/51/58/48/931515848.db2.gz UYNHYZSDPYUWQZ-WHOHXGKFSA-N 0 1 268.313 1.069 20 5 CDBDMN Cc1csc(CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001118001714 937578949 /nfs/dbraw/zinc/57/89/49/937578949.db2.gz MUPQEEHGWDONFW-RKDXNWHRSA-N 0 1 269.326 1.166 20 5 CDBDMN Cc1ncc([N+](=O)[O-])c(N[C@H]2CN3CCC2CC3)n1 ZINC001155662789 937661677 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CC(C)(C)OC(=O)CCCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673585 732392494 /nfs/dbraw/zinc/39/24/94/732392494.db2.gz UGSGJFWYTNOYCH-NXEZZACHSA-N 0 1 287.312 1.707 20 5 CDBDMN CCC(O)(CC)C(C)(C)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000855348813 732475968 /nfs/dbraw/zinc/47/59/68/732475968.db2.gz XPBYQILFLJAATC-NXEZZACHSA-N 0 1 272.345 1.345 20 5 CDBDMN O=C(NCCCCc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839474923 732788200 /nfs/dbraw/zinc/78/82/00/732788200.db2.gz FOCNLWOPGFUYIR-CHWSQXEVSA-N 0 1 262.309 1.791 20 5 CDBDMN C[C@@]1(c2ccccc2)C[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839691307 732858327 /nfs/dbraw/zinc/85/83/27/732858327.db2.gz LRIADLLKZGUIKP-BYNQJWBRSA-N 0 1 260.293 1.498 20 5 CDBDMN C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2)C[C@H](C(=O)[O-])C1 ZINC000844219855 732885215 /nfs/dbraw/zinc/88/52/15/732885215.db2.gz WHEMZQHVCNWTFR-SNVBAGLBSA-N 0 1 279.296 1.047 20 5 CDBDMN Cc1nc(COC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])n[nH]1 ZINC000830369011 936456699 /nfs/dbraw/zinc/45/66/99/936456699.db2.gz FFQLRELLQNXJIA-UHFFFAOYSA-N 0 1 294.242 1.826 20 5 CDBDMN O=C(NCc1csc(-c2ccco2)n1)[C@@H]1CC1[N+](=O)[O-] ZINC000839707016 936920825 /nfs/dbraw/zinc/92/08/25/936920825.db2.gz ZJKOANBSPQQJNQ-RKDXNWHRSA-N 0 1 293.304 1.685 20 5 CDBDMN CCC[C@]1(COC)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839744417 936922927 /nfs/dbraw/zinc/92/29/27/936922927.db2.gz BDNJPLVBEVMYHG-NQBHXWOUSA-N 0 1 270.329 1.459 20 5 CDBDMN CC(C)(C)C[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839793430 936926155 /nfs/dbraw/zinc/92/61/55/936926155.db2.gz SDVQZHYHADTMBF-GMTAPVOTSA-N 0 1 254.330 1.936 20 5 CDBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H](C)C(F)(F)F ZINC000840440733 936951047 /nfs/dbraw/zinc/95/10/47/936951047.db2.gz GRTNLQOJWQDRQL-RRKCRQDMSA-N 0 1 254.208 1.451 20 5 CDBDMN CC1=C(Oc2nc(C)cc(O)c2[N+](=O)[O-])C(=O)O[C@H]1C ZINC001231262412 925687128 /nfs/dbraw/zinc/68/71/28/925687128.db2.gz FZJZLVNDQNOHCW-ZETCQYMHSA-N 0 1 280.236 1.602 20 5 CDBDMN C[C@@H](CC1CCOCC1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842357953 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CO[C@@H]1CCN(CCOc2c(C)nccc2[N+](=O)[O-])C1 ZINC001234905594 943970323 /nfs/dbraw/zinc/97/03/23/943970323.db2.gz RKMUALSSQQALPM-LLVKDONJSA-N 0 1 281.312 1.398 20 5 CDBDMN O=[N+]([O-])c1ccc2c(c1)C[C@H](NCc1cocn1)C2 ZINC001254574715 947532912 /nfs/dbraw/zinc/53/29/12/947532912.db2.gz KKNNZUOAVHAYCJ-LLVKDONJSA-N 0 1 259.265 1.840 20 5 CDBDMN CC1(CO)CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254595902 947547622 /nfs/dbraw/zinc/54/76/22/947547622.db2.gz AGGVUUZLGGZJPN-CYBMUJFWSA-N 0 1 262.309 1.376 20 5 CDBDMN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCCC13COC3)C2 ZINC001254601286 947551314 /nfs/dbraw/zinc/55/13/14/947551314.db2.gz XIUOPIRPVWTYMH-AWEZNQCLSA-N 0 1 274.320 1.927 20 5 CDBDMN O=C([O-])CCCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC001595041167 951424953 /nfs/dbraw/zinc/42/49/53/951424953.db2.gz SBFFJFZOCKDPHD-UHFFFAOYSA-N 0 1 279.296 1.603 20 5 CDBDMN C[C@H](COc1ccccc1F)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001325182292 953761181 /nfs/dbraw/zinc/76/11/81/953761181.db2.gz 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O=C(N[C@H]1CCC[C@H]1F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000340771912 361983314 /nfs/dbraw/zinc/98/33/14/361983314.db2.gz DJHNSMJXJMLTOQ-MNOVXSKESA-N 0 1 268.244 1.921 20 5 CDBDMN C[C@H](Cc1cnc[nH]1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000594240156 342881590 /nfs/dbraw/zinc/88/15/90/342881590.db2.gz PENSAHWFQFDSFZ-SNVBAGLBSA-N 0 1 288.307 1.813 20 5 CDBDMN CO[C@@]1(C(=O)[O-])CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000600675175 342241227 /nfs/dbraw/zinc/24/12/27/342241227.db2.gz JPHCHRZQLWPQQH-AWEZNQCLSA-N 0 1 294.307 1.313 20 5 CDBDMN CCc1[nH]nc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000171367047 529466444 /nfs/dbraw/zinc/46/64/44/529466444.db2.gz TVOZKZZZJDDEQD-RKDXNWHRSA-N 0 1 280.328 1.998 20 5 CDBDMN CNC(=O)C[C@@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595049713 342999696 /nfs/dbraw/zinc/99/96/96/342999696.db2.gz DBMHKAANBCWSLD-NXEZZACHSA-N 0 1 295.339 1.779 20 5 CDBDMN COC(=O)[C@@H](C)CN(C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595296105 343026652 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O=C(OCCc1c(F)cccc1F)[C@@H]1CC1[N+](=O)[O-] ZINC000829278073 751331679 /nfs/dbraw/zinc/33/16/79/751331679.db2.gz GOCKQBGXOUOMAK-LDYMZIIASA-N 0 1 271.219 1.716 20 5 CDBDMN CC(=O)c1cccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])c1F ZINC000873638739 752338432 /nfs/dbraw/zinc/33/84/32/752338432.db2.gz CJNDFEOAUAFTGL-RKDXNWHRSA-N 0 1 267.212 1.599 20 5 CDBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H]2CC[N@H+](C)C2)n1 ZINC001610437336 1165316251 /nfs/dbraw/zinc/31/62/51/1165316251.db2.gz PYGUOZYUVWPVCF-VIFPVBQESA-N 0 1 294.311 1.360 20 5 CDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOc2cc(F)ccc2C1 ZINC000863810253 752360926 /nfs/dbraw/zinc/36/09/26/752360926.db2.gz GKLVGBVDSZXDAL-GHMZBOCLSA-N 0 1 280.255 1.212 20 5 CDBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1COC[C@H]1C ZINC000932493553 752368944 /nfs/dbraw/zinc/36/89/44/752368944.db2.gz HWIRIRCYJYZDKX-GHMZBOCLSA-N 0 1 293.323 1.466 20 5 CDBDMN CSCc1cccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839732487 752841983 /nfs/dbraw/zinc/84/19/83/752841983.db2.gz DXDHOLRVQDGCKG-VXGBXAGGSA-N 0 1 280.349 1.831 20 5 CDBDMN Cc1nc([C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2N)n[nH]1 ZINC000840195745 752996882 /nfs/dbraw/zinc/99/68/82/752996882.db2.gz HCQXWUOGZDBNCD-LURJTMIESA-N 0 1 291.267 1.522 20 5 CDBDMN CC(C)[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000839706143 753271655 /nfs/dbraw/zinc/27/16/55/753271655.db2.gz NEWRYKSNDKBJND-OPRDCNLKSA-N 0 1 286.328 1.134 20 5 CDBDMN CC[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])C[C@@H]1O ZINC000886094710 753329734 /nfs/dbraw/zinc/32/97/34/753329734.db2.gz XVFLGXCMOUMYRN-KOLCDFICSA-N 0 1 251.286 1.193 20 5 CDBDMN O=C1OCC[C@]12CCCN2Cc1cc(O)ccc1[N+](=O)[O-] ZINC000779198319 753444386 /nfs/dbraw/zinc/44/43/86/753444386.db2.gz DCBXVGBOOCKCCP-CQSZACIVSA-N 0 1 292.291 1.582 20 5 CDBDMN C[C@H](CCc1cccn1C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839691757 753455656 /nfs/dbraw/zinc/45/56/56/753455656.db2.gz HFRNLLQJWRYJFA-YUSALJHKSA-N 0 1 265.313 1.128 20 5 CDBDMN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839714589 753476331 /nfs/dbraw/zinc/47/63/31/753476331.db2.gz KZRKPMOAQBLBIW-GMTAPVOTSA-N 0 1 278.312 1.355 20 5 CDBDMN NC(=O)c1ccc(COC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000802266707 753524262 /nfs/dbraw/zinc/52/42/62/753524262.db2.gz YPFOMZMTEPMZOM-UHFFFAOYSA-N 0 1 289.247 1.379 20 5 CDBDMN C[C@H](O)[C@H]1C[C@H](C)CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886162691 753549636 /nfs/dbraw/zinc/54/96/36/753549636.db2.gz VYGJBHWBUWBWHZ-NTZNESFSSA-N 0 1 279.340 1.971 20 5 CDBDMN CC(C)c1ncc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC000839748811 753621662 /nfs/dbraw/zinc/62/16/62/753621662.db2.gz XITVMWKYOIFUHJ-RKDXNWHRSA-N 0 1 250.258 1.204 20 5 CDBDMN COc1ccc(CN[C@H](C)COC(C)=O)cc1[N+](=O)[O-] ZINC000892715580 753638375 /nfs/dbraw/zinc/63/83/75/753638375.db2.gz ZUOKIJFGVBDMED-SECBINFHSA-N 0 1 282.296 1.645 20 5 CDBDMN CN(C[C@@H]1CCN(CC[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000929522442 753793294 /nfs/dbraw/zinc/79/32/94/753793294.db2.gz WJFJNAVHHTVWGF-NSHDSACASA-N 0 1 287.360 1.452 20 5 CDBDMN O=[N+]([O-])c1ccc(CNCc2cnc3n2CCOC3)cc1 ZINC000921561986 919136444 /nfs/dbraw/zinc/13/64/44/919136444.db2.gz FKBKLPXFSMARFM-UHFFFAOYSA-N 0 1 288.307 1.611 20 5 CDBDMN CC(C)(C)c1csc(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000839658230 936918236 /nfs/dbraw/zinc/91/82/36/936918236.db2.gz KFMUWLCLKARHNO-RKDXNWHRSA-N 0 1 297.380 1.765 20 5 CDBDMN C[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC12CCC2 ZINC000839716571 936921296 /nfs/dbraw/zinc/92/12/96/936921296.db2.gz DPEYAMLSFRVOLH-HBNTYKKESA-N 0 1 252.314 1.690 20 5 CDBDMN Cc1nc([C@@H](C)OC(=O)c2cc([N+](=O)[O-])cn2C)n[nH]1 ZINC000840194601 936943053 /nfs/dbraw/zinc/94/30/53/936943053.db2.gz RKBHDTLDRZHXRG-ZCFIWIBFSA-N 0 1 279.256 1.278 20 5 CDBDMN C[C@H](C(=O)Nc1cc([N+](=O)[O-])n[nH]1)N1[C@H](C)CC[C@@H]1C ZINC001155037612 926438717 /nfs/dbraw/zinc/43/87/17/926438717.db2.gz GEMJISHNYPBCHM-HRDYMLBCSA-N 0 1 281.316 1.518 20 5 CDBDMN O=C(OCCSc1ccccn1)[C@@H]1CC1[N+](=O)[O-] ZINC000851131106 927525064 /nfs/dbraw/zinc/52/50/64/927525064.db2.gz OEQFOEJSGRLOMC-RKDXNWHRSA-N 0 1 268.294 1.382 20 5 CDBDMN COC(=O)c1csc(CN[C@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168965124 927586107 /nfs/dbraw/zinc/58/61/07/927586107.db2.gz YGECALZZFJPIQI-IUCAKERBSA-N 0 1 299.352 1.465 20 5 CDBDMN O=[N+]([O-])C[C@@H]1CC[C@H](N2CC(N3CC[C@H](F)C3)C2)C1 ZINC001169036112 927644637 /nfs/dbraw/zinc/64/46/37/927644637.db2.gz MZWSXSKLYRVKQF-WOPDTQHZSA-N 0 1 271.336 1.160 20 5 CDBDMN Cn1ncc2c1CN([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169035501 927645014 /nfs/dbraw/zinc/64/50/14/927645014.db2.gz BOEFXKKMPCCNDV-PWSUYJOCSA-N 0 1 264.329 1.224 20 5 CDBDMN C[C@@H]1[C@@H](C)N(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H](C)CN1C ZINC000844642302 931667228 /nfs/dbraw/zinc/66/72/28/931667228.db2.gz IVDCDRYBNMLXPB-QJPTWQEYSA-N 0 1 285.388 1.761 20 5 CDBDMN O=C([O-])CC[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC001118323098 937616584 /nfs/dbraw/zinc/61/65/84/937616584.db2.gz BTYBWZUHGZZUTM-LLVKDONJSA-N 0 1 296.327 1.368 20 5 CDBDMN CN1CCN(c2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001119396085 937716751 /nfs/dbraw/zinc/71/67/51/937716751.db2.gz JLOFUWZOWVFDDU-UHFFFAOYSA-N 0 1 272.308 1.895 20 5 CDBDMN COCCN(CCC(=O)OC)Cc1ccc([N+](=O)[O-])cc1 ZINC000096537456 935029789 /nfs/dbraw/zinc/02/97/89/935029789.db2.gz UXGHFNZESPZWOK-UHFFFAOYSA-N 0 1 296.323 1.606 20 5 CDBDMN CN1CC[C@H](Nc2nc(Cl)nc(Cl)c2[N+](=O)[O-])C1 ZINC001156580776 938388159 /nfs/dbraw/zinc/38/81/59/938388159.db2.gz QVYUCBKLZUIBGV-YFKPBYRVSA-N 0 1 292.126 1.808 20 5 CDBDMN N[C@H]1CCN(c2cc(Cl)ncc2[N+](=O)[O-])CC1(F)F ZINC001166960824 939661339 /nfs/dbraw/zinc/66/13/39/939661339.db2.gz LGVIRVLVPKTSAU-QMMMGPOBSA-N 0 1 292.673 1.816 20 5 CDBDMN N[C@H]1CCN(c2cccc([N+](=O)[O-])n2)CC1(F)F ZINC001166962550 939662119 /nfs/dbraw/zinc/66/21/19/939662119.db2.gz UXAYETRWUPVTOU-ZETCQYMHSA-N 0 1 258.228 1.163 20 5 CDBDMN CCN1CCC[C@H](Oc2[nH]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225666475 941897537 /nfs/dbraw/zinc/89/75/37/941897537.db2.gz JIFAVKDABYECSC-VIFPVBQESA-N 0 1 267.285 1.559 20 5 CDBDMN CN1CC[C@@H](Oc2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC001225775563 941912717 /nfs/dbraw/zinc/91/27/17/941912717.db2.gz FMQIQUQACKLJSX-SSDOTTSWSA-N 0 1 258.224 1.956 20 5 CDBDMN CC[N@H+]1CC[C@@H](Oc2nc(C3CC3)[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001228602847 942340784 /nfs/dbraw/zinc/34/07/84/942340784.db2.gz GEVGWTYATNYGGT-SECBINFHSA-N 0 1 294.311 1.441 20 5 CDBDMN O=c1[nH]c(C2CC2)nc(OC[C@H]2CCCO2)c1[N+](=O)[O-] ZINC001228604986 942341183 /nfs/dbraw/zinc/34/11/83/942341183.db2.gz ZJRYWSKQXJHHFT-MRVPVSSYSA-N 0 1 281.268 1.526 20 5 CDBDMN COC(=O)c1cc([N+](=O)[O-])c(OCC[C@@H](C)OC)cc1O ZINC001228812344 942379435 /nfs/dbraw/zinc/37/94/35/942379435.db2.gz VJCFWAYNWWPCTF-MRVPVSSYSA-N 0 1 299.279 1.891 20 5 CDBDMN Cc1nc(O[C@H](C)c2cccnc2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229375435 942460766 /nfs/dbraw/zinc/46/07/66/942460766.db2.gz DHIZWWHVVNQYTK-SSDOTTSWSA-N 0 1 276.252 1.934 20 5 CDBDMN CCC(=O)[C@H](CC)Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229382531 942461525 /nfs/dbraw/zinc/46/15/25/942461525.db2.gz UINIPTAVYKEQRW-QMMMGPOBSA-N 0 1 269.257 1.535 20 5 CDBDMN Cc1cc(O)c([N+](=O)[O-])c(OC2CCOCC2)n1 ZINC001231260227 942836142 /nfs/dbraw/zinc/83/61/42/942836142.db2.gz SQSJZTQZFGIYNG-UHFFFAOYSA-N 0 1 254.242 1.562 20 5 CDBDMN CCOC(=O)[C@H](C)Oc1nc(C)cc(O)c1[N+](=O)[O-] ZINC001231259205 942837024 /nfs/dbraw/zinc/83/70/24/942837024.db2.gz HILJVANGUZIHMT-ZETCQYMHSA-N 0 1 270.241 1.334 20 5 CDBDMN Cc1cc(O)c([N+](=O)[O-])c(O[C@@H]2CCc3nccn3C2)n1 ZINC001231262138 942839078 /nfs/dbraw/zinc/83/90/78/942839078.db2.gz DEPAIWAWPYOVTD-SECBINFHSA-N 0 1 290.279 1.594 20 5 CDBDMN CN(C)C(=O)C1CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254600358 947549186 /nfs/dbraw/zinc/54/91/86/947549186.db2.gz PHCBHBQQEMFZEF-AWEZNQCLSA-N 0 1 289.335 1.082 20 5 CDBDMN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCCC13COC3)C2 ZINC001254601287 947549411 /nfs/dbraw/zinc/54/94/11/947549411.db2.gz XIUOPIRPVWTYMH-CQSZACIVSA-N 0 1 274.320 1.927 20 5 CDBDMN NC(=O)[C@H]1CCCCN1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599936 947550399 /nfs/dbraw/zinc/55/03/99/947550399.db2.gz MZODYEBBAHMOLM-UONOGXRCSA-N 0 1 289.335 1.402 20 5 CDBDMN CN(Cc1cncnc1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254612646 947556688 /nfs/dbraw/zinc/55/66/88/947556688.db2.gz XJPHCBSVVSUEHP-OAHLLOKOSA-N 0 1 284.319 1.984 20 5 CDBDMN COc1ccc([N+](=O)[O-])cc1CNCc1cc(C)[nH]n1 ZINC001325237261 953789468 /nfs/dbraw/zinc/78/94/68/953789468.db2.gz BHXBOHQDRGVJRQ-UHFFFAOYSA-N 0 1 276.296 1.925 20 5 CDBDMN O=C(NC[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1n[nH]cc1[N+](=O)[O-] ZINC001303287108 956076163 /nfs/dbraw/zinc/07/61/63/956076163.db2.gz NKLACIVCNSFNFP-NRPADANISA-N 0 1 280.284 1.005 20 5 CDBDMN Cc1nn(C[N@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC001594488846 959677349 /nfs/dbraw/zinc/67/73/49/959677349.db2.gz LYPPKMRDXJUVCR-GZMMTYOYSA-N 0 1 296.327 1.551 20 5 CDBDMN Cc1nn(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC001594488846 959677355 /nfs/dbraw/zinc/67/73/55/959677355.db2.gz LYPPKMRDXJUVCR-GZMMTYOYSA-N 0 1 296.327 1.551 20 5 CDBDMN O=[N+]([O-])CCNC[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC001335934318 960107350 /nfs/dbraw/zinc/10/73/50/960107350.db2.gz PZZPXISKNDPNCQ-JTQLQIEISA-N 0 1 278.230 1.605 20 5 CDBDMN C[C@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CCN1 ZINC001340282125 962863102 /nfs/dbraw/zinc/86/31/02/962863102.db2.gz OEKQEMDBERPGGO-BPNCWPANSA-N 0 1 289.335 1.519 20 5 CDBDMN Cc1cc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)n[nH]1 ZINC001343993151 964206942 /nfs/dbraw/zinc/20/69/42/964206942.db2.gz COXMLIYWLUFRQS-UHFFFAOYSA-N 0 1 290.327 1.660 20 5 CDBDMN CC[C@@H](CO)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001351141081 966865163 /nfs/dbraw/zinc/86/51/63/966865163.db2.gz CRUIUTFUYHPDMB-LBPRGKRZSA-N 0 1 250.298 1.724 20 5 CDBDMN Cc1noc(C[N@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC001605449941 973534812 /nfs/dbraw/zinc/53/48/12/973534812.db2.gz QBALKSJQUQNNMW-CBAPKCEASA-N 0 1 283.284 1.434 20 5 CDBDMN Cc1ncccc1COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001514757027 976337811 /nfs/dbraw/zinc/33/78/11/976337811.db2.gz AQHIIFWLGUFMBY-UHFFFAOYSA-N 0 1 261.237 1.983 20 5 CDBDMN C[C@@H]1CNCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000124383195 187135010 /nfs/dbraw/zinc/13/50/10/187135010.db2.gz KCCDXRUZHQZSFL-LLVKDONJSA-N 0 1 293.323 1.184 20 5 CDBDMN COCCN1CC[C@@H](Nc2ccsc2[N+](=O)[O-])C1 ZINC000601114930 342471784 /nfs/dbraw/zinc/47/17/84/342471784.db2.gz BHAWBNJQTRXSMT-SECBINFHSA-N 0 1 271.342 1.789 20 5 CDBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1C[C@H](O)[C@@H](O)C1 ZINC000600191674 341984123 /nfs/dbraw/zinc/98/41/23/341984123.db2.gz MHPBYGIDZSLLLC-IIURJATOSA-N 0 1 278.308 1.036 20 5 CDBDMN CSc1ccc(C(=O)N2CCNC[C@H]2C)cc1[N+](=O)[O-] ZINC000124431915 187137271 /nfs/dbraw/zinc/13/72/71/187137271.db2.gz XIYYFUAJOUOAQW-SECBINFHSA-N 0 1 295.364 1.751 20 5 CDBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1COC[C@@H]1O ZINC000601291455 342549539 /nfs/dbraw/zinc/54/95/39/342549539.db2.gz JYQSTVXBXCGPHI-BIMULSAOSA-N 0 1 266.297 1.314 20 5 CDBDMN C[N@H+]1CCC[C@H](CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000533213200 282102963 /nfs/dbraw/zinc/10/29/63/282102963.db2.gz BEMDDIUEZCJRMB-SNVBAGLBSA-N 0 1 293.323 1.372 20 5 CDBDMN CN(C)[C@@H](CNc1ccc(N)c([N+](=O)[O-])n1)c1ccco1 ZINC000590570303 342577114 /nfs/dbraw/zinc/57/71/14/342577114.db2.gz ZGAZPGPJMKWXLS-JTQLQIEISA-N 0 1 291.311 1.302 20 5 CDBDMN CC[C@H]1CN(C)CCN1c1ncc([N+](=O)[O-])c(C)n1 ZINC000590703687 342582521 /nfs/dbraw/zinc/58/25/21/342582521.db2.gz SFXIDIMZCSQQOV-JTQLQIEISA-N 0 1 265.317 1.224 20 5 CDBDMN Nc1c(-c2nc([C@@H]3CCCN3)no2)cc(F)cc1[N+](=O)[O-] ZINC000592356609 342687934 /nfs/dbraw/zinc/68/79/34/342687934.db2.gz AKLRTFPVFVLMRV-QMMMGPOBSA-N 0 1 293.258 1.791 20 5 CDBDMN COC(=O)[C@@]1(C)CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000093813430 361945306 /nfs/dbraw/zinc/94/53/06/361945306.db2.gz BQIRYCIQZOBBGO-AWEZNQCLSA-N 0 1 294.307 1.685 20 5 CDBDMN CC1(C)[C@H](O)C[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000594003661 342862389 /nfs/dbraw/zinc/86/23/89/342862389.db2.gz KAJVRJWWFOLKGT-VXGBXAGGSA-N 0 1 291.307 1.985 20 5 CDBDMN CCc1ccc(C(=O)N2C[C@H](C)N[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000154129573 529601245 /nfs/dbraw/zinc/60/12/45/529601245.db2.gz GVWRDYDMZCWKMT-QWRGUYRKSA-N 0 1 291.351 1.980 20 5 CDBDMN CCc1nc(NC(=O)c2csc([N+](=O)[O-])c2)n[nH]1 ZINC000177960534 529699320 /nfs/dbraw/zinc/69/93/20/529699320.db2.gz WGITUCOVOJESAP-UHFFFAOYSA-N 0 1 267.270 1.589 20 5 CDBDMN CCc1n[nH]c(NC(=O)c2csc([N+](=O)[O-])c2)n1 ZINC000177960534 529699323 /nfs/dbraw/zinc/69/93/23/529699323.db2.gz WGITUCOVOJESAP-UHFFFAOYSA-N 0 1 267.270 1.589 20 5 CDBDMN C[C@H](NC(=O)C1(N(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000596842256 343401890 /nfs/dbraw/zinc/40/18/90/343401890.db2.gz LSLMYKCIEMSBHN-JTQLQIEISA-N 0 1 277.324 1.866 20 5 CDBDMN O=C([O-])[C@@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000003748142 362255837 /nfs/dbraw/zinc/25/58/37/362255837.db2.gz MWPZSYAHKFTRGM-NSHDSACASA-N 0 1 250.254 1.644 20 5 CDBDMN Cc1[nH]nc(C(=O)N(CCCCO)C2CC2)c1[N+](=O)[O-] ZINC000343022455 362282965 /nfs/dbraw/zinc/28/29/65/362282965.db2.gz 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/nfs/dbraw/zinc/92/34/14/936923414.db2.gz AWQVDOKNNDZKLM-QRVCZOOMSA-N 0 1 270.329 1.363 20 5 CDBDMN COc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)n1 ZINC000840395991 936950517 /nfs/dbraw/zinc/95/05/17/936950517.db2.gz NGMKSSKKHDFNOV-VXNVDRBHSA-N 0 1 251.242 1.002 20 5 CDBDMN COc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1Cl ZINC000840442398 936950798 /nfs/dbraw/zinc/95/07/98/936950798.db2.gz WPYPKYVYRRAAFI-VXNVDRBHSA-N 0 1 270.672 1.952 20 5 CDBDMN O=C(OCc1cn2ccccc2n1)[C@@H]1CC1[N+](=O)[O-] ZINC000840673234 936956745 /nfs/dbraw/zinc/95/67/45/936956745.db2.gz VCKKRHMGGWQQBY-NXEZZACHSA-N 0 1 261.237 1.043 20 5 CDBDMN Cc1ccc2nc(COC(=O)[C@@H]3CC3[N+](=O)[O-])cn2c1 ZINC000840671959 936956400 /nfs/dbraw/zinc/95/64/00/936956400.db2.gz APSGUJVMDLNRLQ-GHMZBOCLSA-N 0 1 275.264 1.351 20 5 CDBDMN N[C@H]1CCN(c2cc([N+](=O)[O-])ccn2)CC1(F)F ZINC001166959411 925368180 /nfs/dbraw/zinc/36/81/80/925368180.db2.gz FSFBBTYDDDUULR-QMMMGPOBSA-N 0 1 258.228 1.163 20 5 CDBDMN O=[N+]([O-])c1ccnn1CN1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000842614012 937064525 /nfs/dbraw/zinc/06/45/25/937064525.db2.gz FXFHKNHCKIFWGZ-VXGBXAGGSA-N 0 1 280.328 1.640 20 5 CDBDMN COc1ccc([N+](=O)[O-])cc1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000108764977 927216863 /nfs/dbraw/zinc/21/68/63/927216863.db2.gz HVUXKHFENYDQLG-NXEZZACHSA-N 0 1 296.235 1.312 20 5 CDBDMN COCc1nn([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c2c1CNC2 ZINC001169022755 927662992 /nfs/dbraw/zinc/66/29/92/927662992.db2.gz SMHIUNJJLIVLFV-NXEZZACHSA-N 0 1 280.328 1.251 20 5 CDBDMN CON(C)C(=O)[C@@H](C)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000858588381 928892434 /nfs/dbraw/zinc/89/24/34/928892434.db2.gz DHESAAKPDPDCTO-BXKDBHETSA-N 0 1 293.323 1.580 20 5 CDBDMN O=C(CCc1nc[nH]n1)OCc1ccc([N+](=O)[O-])c(F)c1 ZINC000784084907 937291013 /nfs/dbraw/zinc/29/10/13/937291013.db2.gz NYUJXECPRAHTQH-UHFFFAOYSA-N 0 1 294.242 1.528 20 5 CDBDMN O=[N+]([O-])c1ccc(Cl)nc1NC[C@@H]1COCCN1 ZINC001170044094 929129627 /nfs/dbraw/zinc/12/96/27/929129627.db2.gz JZRWWVMMOMCRGJ-SSDOTTSWSA-N 0 1 272.692 1.044 20 5 CDBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000862441322 929416001 /nfs/dbraw/zinc/41/60/01/929416001.db2.gz TZBHUWKMGJMYPF-BZNPZCIMSA-N 0 1 262.256 1.401 20 5 CDBDMN CCC(=O)N(C)c1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000882070175 929939876 /nfs/dbraw/zinc/93/98/76/929939876.db2.gz GDZGWZKJNJAUPF-VXGBXAGGSA-N 0 1 291.307 1.663 20 5 CDBDMN C[C@@H]1CCN(Cc2cccnc2[N+](=O)[O-])C[C@H]1CO ZINC000886295720 930852568 /nfs/dbraw/zinc/85/25/68/930852568.db2.gz IMJKWHOYMUPTOR-PWSUYJOCSA-N 0 1 265.313 1.440 20 5 CDBDMN O=[N+]([O-])c1ccc(-c2noc(C[C@H]3COCCN3)n2)s1 ZINC000823070122 931250156 /nfs/dbraw/zinc/25/01/56/931250156.db2.gz ZPYZXILZQHIOJN-ZETCQYMHSA-N 0 1 296.308 1.237 20 5 CDBDMN CC(C)O[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000844764501 931696101 /nfs/dbraw/zinc/69/61/01/931696101.db2.gz JVZAZHSHVOAJMM-HBNTYKKESA-N 0 1 256.302 1.068 20 5 CDBDMN CCN(CC)C(=O)C1(NCC[N+](=O)[O-])CCCCC1 ZINC000929984225 933293974 /nfs/dbraw/zinc/29/39/74/933293974.db2.gz PPRNZWMDPKUYDD-UHFFFAOYSA-N 0 1 271.361 1.424 20 5 CDBDMN O=[N+]([O-])CCN[C@]1(CO)CCCc2ccccc21 ZINC000930322744 933358432 /nfs/dbraw/zinc/35/84/32/933358432.db2.gz AYHPJJDZKPBYLR-ZDUSSCGKSA-N 0 1 250.298 1.077 20 5 CDBDMN O=[N+]([O-])CCN(Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000930745793 933443834 /nfs/dbraw/zinc/44/38/34/933443834.db2.gz KKCODOCXYIXLKW-HDJSIYSDSA-N 0 1 294.351 1.774 20 5 CDBDMN Cc1nn(CN2CCN(C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000779861380 934754722 /nfs/dbraw/zinc/75/47/22/934754722.db2.gz UDMPOTGBFHIMAZ-UHFFFAOYSA-N 0 1 279.344 1.227 20 5 CDBDMN Cc1nc(COC(=O)c2ccc([N+](=O)[O-])s2)n[nH]1 ZINC000795233613 934780115 /nfs/dbraw/zinc/78/01/15/934780115.db2.gz DJUAYBIGBGMQFT-UHFFFAOYSA-N 0 1 268.254 1.440 20 5 CDBDMN CC(C)NCc1cn(Cc2ccccc2[N+](=O)[O-])nn1 ZINC000090297142 934828651 /nfs/dbraw/zinc/82/86/51/934828651.db2.gz VJCMJYHKEMYAHN-UHFFFAOYSA-N 0 1 275.312 1.733 20 5 CDBDMN CO[C@H](C)CN(C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000795744907 934930625 /nfs/dbraw/zinc/93/06/25/934930625.db2.gz AGCUWBLNUMLSQM-SECBINFHSA-N 0 1 293.327 1.572 20 5 CDBDMN Cc1cc(F)c(CNC(=O)c2n[nH]cc2[N+](=O)[O-])c(F)c1 ZINC001156670576 938403921 /nfs/dbraw/zinc/40/39/21/938403921.db2.gz VSCDHZIRUKAJTR-UHFFFAOYSA-N 0 1 296.233 1.835 20 5 CDBDMN Cc1cnc(CN)n1-c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001158163148 938588630 /nfs/dbraw/zinc/58/86/30/938588630.db2.gz OHVMMIPPKZLLKO-UHFFFAOYSA-N 0 1 284.279 1.491 20 5 CDBDMN Cc1ccc(NC(=O)[C@H](C)N(C)C)c(N)c1[N+](=O)[O-] ZINC001158231888 938597672 /nfs/dbraw/zinc/59/76/72/938597672.db2.gz MQZCAVDVNDXVIO-QMMMGPOBSA-N 0 1 266.301 1.374 20 5 CDBDMN NCc1nc2cnccc2n1-c1ncc([N+](=O)[O-])cc1F ZINC001162214877 938962209 /nfs/dbraw/zinc/96/22/09/938962209.db2.gz LNWKUJFTIYIHKO-UHFFFAOYSA-N 0 1 288.242 1.322 20 5 CDBDMN COc1ncnc(N[C@@]2(C)CCCN(C)C2)c1[N+](=O)[O-] ZINC001162340864 939031312 /nfs/dbraw/zinc/03/13/12/939031312.db2.gz HORMSUCQYRAWBM-LBPRGKRZSA-N 0 1 281.316 1.290 20 5 CDBDMN Cc1cc(CNc2ncc([N+](=O)[O-])cc2F)n[nH]1 ZINC001162503002 939074125 /nfs/dbraw/zinc/07/41/25/939074125.db2.gz PKTWBPWCXSBYMV-UHFFFAOYSA-N 0 1 251.221 1.773 20 5 CDBDMN Nc1ccnc(N[C@@H]2CNCc3ccsc32)c1[N+](=O)[O-] ZINC001163226557 939229397 /nfs/dbraw/zinc/22/93/97/939229397.db2.gz IZRHVKUWVAGTFP-SECBINFHSA-N 0 1 291.336 1.890 20 5 CDBDMN CC(C)[NH+]1CCC(Oc2[n-]ccc(=O)c2[N+](=O)[O-])CC1 ZINC001225667118 941897091 /nfs/dbraw/zinc/89/70/91/941897091.db2.gz PSVYLTVAENTILG-UHFFFAOYSA-N 0 1 281.312 1.947 20 5 CDBDMN CCOC(=O)c1ccc(O[C@@H]2CCN(C)C2)c([N+](=O)[O-])c1 ZINC001227298790 942164881 /nfs/dbraw/zinc/16/48/81/942164881.db2.gz NNDLJDNWASSWRH-LLVKDONJSA-N 0 1 294.307 1.854 20 5 CDBDMN CCC[C@H](Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-])C(=O)OCC ZINC001229380782 942461601 /nfs/dbraw/zinc/46/16/01/942461601.db2.gz LDONBXDNVRBXQQ-QMMMGPOBSA-N 0 1 299.283 1.509 20 5 CDBDMN O=[N+]([O-])c1cc2cn[nH]c2cc1O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC001230601186 942655458 /nfs/dbraw/zinc/65/54/58/942655458.db2.gz LGGFKMNAKBFASD-AQUOVQTQSA-N 0 1 291.263 1.611 20 5 CDBDMN Cc1cc(O)c([N+](=O)[O-])c(O[C@@H]2CCCCC2=O)n1 ZINC001231262686 942838563 /nfs/dbraw/zinc/83/85/63/942838563.db2.gz GHNMSZKKIMXJNL-SNVBAGLBSA-N 0 1 266.253 1.894 20 5 CDBDMN Cc1cc(O)c([N+](=O)[O-])c(O[C@@H]2COc3cnccc32)n1 ZINC001231264428 942838862 /nfs/dbraw/zinc/83/88/62/942838862.db2.gz QSXGMRBNOBAIID-LLVKDONJSA-N 0 1 289.247 1.911 20 5 CDBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCOC[C@@](C)(O)C1 ZINC001254552608 947521790 /nfs/dbraw/zinc/52/17/90/947521790.db2.gz NJYPLBPYXRUXMQ-WFASDCNBSA-N 0 1 294.351 1.609 20 5 CDBDMN Cc1cnc(CN[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)nc1 ZINC001254565137 947527411 /nfs/dbraw/zinc/52/74/11/947527411.db2.gz CABFGMBYTAUDEH-ZDUSSCGKSA-N 0 1 284.319 1.950 20 5 CDBDMN O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2CCN2)n1 ZINC001247675038 948699983 /nfs/dbraw/zinc/69/99/83/948699983.db2.gz GFHSISRBVWSRSG-LURJTMIESA-N 0 1 265.204 1.213 20 5 CDBDMN C[C@H](C(=O)[O-])[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001602820094 971623573 /nfs/dbraw/zinc/62/35/73/971623573.db2.gz QAFLAGBSZATZRT-NOZJJQNGSA-N 0 1 294.307 1.566 20 5 CDBDMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001326846374 954587389 /nfs/dbraw/zinc/58/73/89/954587389.db2.gz YLFYOKLLDIZHKT-JIMOISOXSA-N 0 1 294.307 1.423 20 5 CDBDMN CC(C)c1[nH]nc(C(=O)N2CCO[C@@H](C)CC2)c1[N+](=O)[O-] ZINC001303873785 956126817 /nfs/dbraw/zinc/12/68/17/956126817.db2.gz HUZYYGZXLVVQIS-VIFPVBQESA-N 0 1 296.327 1.692 20 5 CDBDMN Cc1nn(C)c(NCc2n[nH]c(C3CC3)n2)c1[N+](=O)[O-] ZINC001307130649 956368303 /nfs/dbraw/zinc/36/83/03/956368303.db2.gz QDVSRTVXPNLQIE-UHFFFAOYSA-N 0 1 277.288 1.244 20 5 CDBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NCCc1ccoc1 ZINC001309688563 956649213 /nfs/dbraw/zinc/64/92/13/956649213.db2.gz XMFDCYDJEOXHSK-UHFFFAOYSA-N 0 1 297.292 1.104 20 5 CDBDMN Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@]1(C)C(=O)[O-] ZINC000079490060 957759575 /nfs/dbraw/zinc/75/95/75/957759575.db2.gz YJKNFSWSHOYUGM-LBPRGKRZSA-N 0 1 282.300 1.039 20 5 CDBDMN Cc1cncc([N+](=O)[O-])c1N1CCN(C(C)C)CC1 ZINC001338680353 961946726 /nfs/dbraw/zinc/94/67/26/961946726.db2.gz ADEGSWOSCZBGGS-UHFFFAOYSA-N 0 1 264.329 1.829 20 5 CDBDMN Cc1cc(NCC[N+](=O)[O-])ccc1N1CCN(C)CC1 ZINC001345194476 964627062 /nfs/dbraw/zinc/62/70/62/964627062.db2.gz CNEUIXVZIAQLPJ-UHFFFAOYSA-N 0 1 278.356 1.435 20 5 CDBDMN C[C@@H](C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-] ZINC000090360167 967589214 /nfs/dbraw/zinc/58/92/14/967589214.db2.gz IRKXAASSNKLOAS-QMMMGPOBSA-N 0 1 297.267 1.656 20 5 CDBDMN CCN1CCN(c2nc(C)ncc2[N+](=O)[O-])C(C)(C)C1 ZINC001158563032 1163214057 /nfs/dbraw/zinc/21/40/57/1163214057.db2.gz SMCMDTOXWJESRD-UHFFFAOYSA-N 0 1 279.344 1.614 20 5 CDBDMN CC[N@H+]1CC[C@@H]1CNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001596416129 984034038 /nfs/dbraw/zinc/03/40/38/984034038.db2.gz VVQIUNPYBFOSSF-SECBINFHSA-N 0 1 294.311 1.503 20 5 CDBDMN CC(C)C[N@@H+](Cn1nccc1[N+](=O)[O-])CC(C)(C)C(=O)[O-] ZINC001591349424 992334774 /nfs/dbraw/zinc/33/47/74/992334774.db2.gz MFGOUJQXZDTXRA-UHFFFAOYSA-N 0 1 298.343 1.818 20 5 CDBDMN C[C@]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])(C(=O)[O-])C1CC1 ZINC001593292854 994679859 /nfs/dbraw/zinc/67/98/59/994679859.db2.gz QDQDQSIDVFICMM-CYBMUJFWSA-N 0 1 280.280 1.643 20 5 CDBDMN CC[C@H](Nc1nn(C)cc1[N+](=O)[O-])c1c[nH]nn1 ZINC001576290716 1171382544 /nfs/dbraw/zinc/38/25/44/1171382544.db2.gz LYZAVZGTYPUUAP-LURJTMIESA-N 0 1 251.250 1.010 20 5 CDBDMN CN(C(=O)c1c(F)cccc1[N+](=O)[O-])[C@H]1CCCN(C)C1 ZINC000601232231 342537527 /nfs/dbraw/zinc/53/75/27/342537527.db2.gz ORSBGHSSUJMPHK-JTQLQIEISA-N 0 1 295.314 1.900 20 5 CDBDMN CCCCN(CCOc1cccc([N+](=O)[O-])c1)CC(N)=O ZINC000048047728 342153934 /nfs/dbraw/zinc/15/39/34/342153934.db2.gz ZKKUSJUJZLMILT-UHFFFAOYSA-N 0 1 295.339 1.561 20 5 CDBDMN Cc1[nH]nc(C(=O)N2CCC(C)(C)C2)c1[N+](=O)[O-] ZINC000081352353 342214469 /nfs/dbraw/zinc/21/44/69/342214469.db2.gz OMOVIOUNZZUSAM-UHFFFAOYSA-N 0 1 252.274 1.498 20 5 CDBDMN NC(=O)CCSCc1cc(O)ccc1[N+](=O)[O-] 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Cc1[nH]nc(C(=O)N2CCC3(C2)CCOCC3)c1[N+](=O)[O-] ZINC000075339986 342308711 /nfs/dbraw/zinc/30/87/11/342308711.db2.gz SFMMSQOQFTWTSU-UHFFFAOYSA-N 0 1 294.311 1.269 20 5 CDBDMN Cc1noc(CN2CCc3cn[nH]c3C2)c1[N+](=O)[O-] ZINC000595394929 343047275 /nfs/dbraw/zinc/04/72/75/343047275.db2.gz KYOGSXSSGLRNRH-UHFFFAOYSA-N 0 1 263.257 1.173 20 5 CDBDMN COC[C@](C)(CC(=O)OC)NCc1ccccc1[N+](=O)[O-] ZINC000078662520 342339439 /nfs/dbraw/zinc/33/94/39/342339439.db2.gz JFCIITATEUTQRF-AWEZNQCLSA-N 0 1 296.323 1.653 20 5 CDBDMN CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)[O-] ZINC000595882156 343179848 /nfs/dbraw/zinc/17/98/48/343179848.db2.gz HOOCVFWTISRKSO-JTQLQIEISA-N 0 1 282.296 1.769 20 5 CDBDMN CC[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC000436969582 362160017 /nfs/dbraw/zinc/16/00/17/362160017.db2.gz ZCBLYTRRQGJJHS-UHFFFAOYSA-N 0 1 295.339 1.761 20 5 CDBDMN CCC(O)(CC)C(C)(C)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000597943524 343675051 /nfs/dbraw/zinc/67/50/51/343675051.db2.gz 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RQHCEDRBFARULO-SNVBAGLBSA-N 0 1 281.312 1.401 20 5 CDBDMN C[C@@H](CC(=O)c1ccco1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840393693 812867207 /nfs/dbraw/zinc/86/72/07/812867207.db2.gz XVJFSBDALZUHAG-DJLDLDEBSA-N 0 1 266.253 1.022 20 5 CDBDMN O=C(NCc1nc(C2CC2)cs1)[C@@H]1CC1[N+](=O)[O-] ZINC000839704661 813046914 /nfs/dbraw/zinc/04/69/14/813046914.db2.gz CYIRRZJMIDDTED-VXNVDRBHSA-N 0 1 267.310 1.302 20 5 CDBDMN O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCNCC1 ZINC000700631651 813049214 /nfs/dbraw/zinc/04/92/14/813049214.db2.gz KXBUCMZIEJLKGT-UHFFFAOYSA-N 0 1 269.688 1.294 20 5 CDBDMN CC1(CC(F)(F)F)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839793517 813086873 /nfs/dbraw/zinc/08/68/73/813086873.db2.gz UYWQBNONVOLOPE-RNFRBKRXSA-N 0 1 266.219 1.453 20 5 CDBDMN COC(=O)CCc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000839656740 813167928 /nfs/dbraw/zinc/16/79/28/813167928.db2.gz WZTWRSSCHZDMDW-VXGBXAGGSA-N 0 1 292.291 1.396 20 5 CDBDMN Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839572274 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O=[N+]([O-])c1ncccc1CN1CCC[C@@H](CO)CC1 ZINC000886218658 814386177 /nfs/dbraw/zinc/38/61/77/814386177.db2.gz ZZOQTXYPKBXQCF-LLVKDONJSA-N 0 1 265.313 1.584 20 5 CDBDMN CO[C@@H](C)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837454882 814397174 /nfs/dbraw/zinc/39/71/74/814397174.db2.gz KJXSUMKIMNWFRM-ZETCQYMHSA-N 0 1 255.226 1.379 20 5 CDBDMN O=[N+]([O-])c1cccc([C@H](O)CNC[C@H](O)C(F)(F)F)c1 ZINC000843062398 814406983 /nfs/dbraw/zinc/40/69/83/814406983.db2.gz IGGXSHQTYSSAEI-ZJUUUORDSA-N 0 1 294.229 1.141 20 5 CDBDMN O=[N+]([O-])c1ncccc1CN1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886816537 814606200 /nfs/dbraw/zinc/60/62/00/814606200.db2.gz VKDSAJRQFOYIMJ-DGCLKSJQSA-N 0 1 277.324 1.991 20 5 CDBDMN C[C@H]1OCC[C@@]1(C)NCc1cccnc1[N+](=O)[O-] ZINC000886170027 816794266 /nfs/dbraw/zinc/79/42/66/816794266.db2.gz NPIBLKHIYMJKDX-BXKDBHETSA-N 0 1 251.286 1.647 20 5 CDBDMN CCO[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839740072 816828729 /nfs/dbraw/zinc/82/87/29/816828729.db2.gz FRFRUABIOQJMBK-JHJVBQTASA-N 0 1 278.308 1.546 20 5 CDBDMN C[C@H]1OCC[C@H]1C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837611175 816846808 /nfs/dbraw/zinc/84/68/08/816846808.db2.gz DNSYYGQQZRPSFP-LDYMZIIASA-N 0 1 281.264 1.769 20 5 CDBDMN COc1ccc([C@@H](C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839690163 817298130 /nfs/dbraw/zinc/29/81/30/817298130.db2.gz HQPPXZDLGFIRHQ-ZLKJLUDKSA-N 0 1 292.335 1.970 20 5 CDBDMN CCOC(=O)C[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000851523867 817541984 /nfs/dbraw/zinc/54/19/84/817541984.db2.gz ZGCQBWKVOKESID-SSDOTTSWSA-N 0 1 270.241 1.421 20 5 CDBDMN CCN1CC[C@@H]1CNC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000882479097 817755539 /nfs/dbraw/zinc/75/55/39/817755539.db2.gz MQIOQEKOBPQMOI-LLVKDONJSA-N 0 1 292.339 1.461 20 5 CDBDMN CCCNc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839739730 817850293 /nfs/dbraw/zinc/85/02/93/817850293.db2.gz LDPOBCPJFQVZMH-CHWSQXEVSA-N 0 1 277.324 1.790 20 5 CDBDMN O=C(N[C@H]1CCc2ccccc2OC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839760179 817895923 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O=C([C@@H]1CC1[N+](=O)[O-])N1CCc2ccc(F)cc2C1 ZINC000839707245 936920700 /nfs/dbraw/zinc/92/07/00/936920700.db2.gz DGEDBLALQRUIHR-VXGBXAGGSA-N 0 1 264.256 1.376 20 5 CDBDMN CC(C)n1cc2c(n1)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])CCC2 ZINC000839725115 936922034 /nfs/dbraw/zinc/92/20/34/936922034.db2.gz LMUISGDGLIYFGB-IJLUTSLNSA-N 0 1 292.339 1.623 20 5 CDBDMN CCOC(=O)[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCC1 ZINC000842373734 937047880 /nfs/dbraw/zinc/04/78/80/937047880.db2.gz RIQNXKVKWITLIX-GMTAPVOTSA-N 0 1 285.296 1.317 20 5 CDBDMN C[C@@H]1CN(C2CN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C[C@@H](C)O1 ZINC001169053119 927671592 /nfs/dbraw/zinc/67/15/92/927671592.db2.gz HMLNHJAGTCXHOJ-YIYPIFLZSA-N 0 1 297.399 1.225 20 5 CDBDMN CC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H](O)c1ccccc1F ZINC001150199142 937223218 /nfs/dbraw/zinc/22/32/18/937223218.db2.gz VWOWFVWWUWYNAF-MGAJPHDKSA-N 0 1 296.298 1.419 20 5 CDBDMN CCN1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000882484903 930011832 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C[N@@H+]1CCO[C@H](CNc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC000164028745 940096785 /nfs/dbraw/zinc/09/67/85/940096785.db2.gz YFRAFPLYLCFANQ-SNVBAGLBSA-N 0 1 295.295 1.036 20 5 CDBDMN C[N@H+]1CCO[C@H](CNc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC000164028745 940096787 /nfs/dbraw/zinc/09/67/87/940096787.db2.gz YFRAFPLYLCFANQ-SNVBAGLBSA-N 0 1 295.295 1.036 20 5 CDBDMN Nc1ccc2c(=O)[nH]n(-c3ccc(O)c([N+](=O)[O-])c3)c2c1 ZINC001210397516 940688305 /nfs/dbraw/zinc/68/83/05/940688305.db2.gz DNWQQBVCIPOYRE-UHFFFAOYSA-N 0 1 286.247 1.927 20 5 CDBDMN O=C1CC[C@@H](COc2cc(O)ccc2[N+](=O)[O-])O1 ZINC001225491514 941869235 /nfs/dbraw/zinc/86/92/35/941869235.db2.gz PUXXZRQUIXFCNJ-QMMMGPOBSA-N 0 1 253.210 1.385 20 5 CDBDMN CC[N@H+]1CC[C@@H](Oc2cccc([O-])c2[N+](=O)[O-])C1 ZINC001225621146 941889578 /nfs/dbraw/zinc/88/95/78/941889578.db2.gz CIIWFQUYLPLTDV-SECBINFHSA-N 0 1 252.270 1.773 20 5 CDBDMN O=c1cc(C(F)(F)F)nc(O[C@H](C[N+](=O)[O-])C2CC2)[nH]1 ZINC001225980925 941935976 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288.263 1.490 20 5 CDBDMN O=C(N[C@@H]1CCC[C@@H]1F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000340771917 526903620 /nfs/dbraw/zinc/90/36/20/526903620.db2.gz DJHNSMJXJMLTOQ-WDEREUQCSA-N 0 1 268.244 1.921 20 5 CDBDMN C[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])C(C)(C)C ZINC000764279782 575896879 /nfs/dbraw/zinc/89/68/79/575896879.db2.gz NLHMGWHZMLZAFL-ZETCQYMHSA-N 0 1 254.290 1.730 20 5 CDBDMN O=C(NCc1cnc[nH]1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000748323427 576905530 /nfs/dbraw/zinc/90/55/30/576905530.db2.gz ZNDQSOKKJPSVMD-UHFFFAOYSA-N 0 1 291.223 1.156 20 5 CDBDMN O=C(Nc1nc2ccc(F)cn2n1)c1ccc([N+](=O)[O-])o1 ZINC000754632376 576906015 /nfs/dbraw/zinc/90/60/15/576906015.db2.gz VYVPTJSLTPSJRF-UHFFFAOYSA-N 0 1 291.198 1.622 20 5 CDBDMN C[C@H]1COC[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000932495555 617316738 /nfs/dbraw/zinc/31/67/38/617316738.db2.gz CIHWXJVOYYUBQK-KWQFWETISA-N 0 1 277.280 1.861 20 5 CDBDMN CCc1onc(C)c1CNCCn1cc([N+](=O)[O-])cn1 ZINC000893134384 617402695 /nfs/dbraw/zinc/40/26/95/617402695.db2.gz KVFWECCRHMAGLA-UHFFFAOYSA-N 0 1 279.300 1.440 20 5 CDBDMN Cn1ncc([N+](=O)[O-])c1NCCN1CC=CCC1 ZINC000893612463 617669784 /nfs/dbraw/zinc/66/97/84/617669784.db2.gz QEYYRCKHBUBYGM-UHFFFAOYSA-N 0 1 251.290 1.002 20 5 CDBDMN COCCOC[C@@H](C)NCc1cc([N+](=O)[O-])ccc1OC ZINC000892939657 617935640 /nfs/dbraw/zinc/93/56/40/617935640.db2.gz UGAJIXWVKOGMAQ-LLVKDONJSA-N 0 1 298.339 1.745 20 5 CDBDMN O=C(OCc1cccc(OC(F)F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000840671556 618432844 /nfs/dbraw/zinc/43/28/44/618432844.db2.gz WZQJBPTYVOYHJZ-NXEZZACHSA-N 0 1 287.218 1.996 20 5 CDBDMN Cc1nn(C)c(Cl)c1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672851 618761829 /nfs/dbraw/zinc/76/18/29/618761829.db2.gz VJWHHYRHBDURCJ-HTRCEHHLSA-N 0 1 273.676 1.090 20 5 CDBDMN CCOC(=O)CC(C)(C)CCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673384 618773797 /nfs/dbraw/zinc/77/37/97/618773797.db2.gz MQFAPLXTJQALFV-NXEZZACHSA-N 0 1 287.312 1.564 20 5 CDBDMN O=C(OCc1cc(Cl)cc2c1OCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000840673604 618782190 /nfs/dbraw/zinc/78/21/90/618782190.db2.gz UYMUUJVSOYXYJP-GHMZBOCLSA-N 0 1 297.694 1.983 20 5 CDBDMN CCC1(CC)[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H]1OC ZINC000842322336 630628969 /nfs/dbraw/zinc/62/89/69/630628969.db2.gz UBNPIRLFQNKRRW-CHWFTXMASA-N 0 1 271.313 1.789 20 5 CDBDMN CC[C@H]1CN(C)CCN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000814937976 1164102043 /nfs/dbraw/zinc/10/20/43/1164102043.db2.gz FCOGAQPLBHSJQP-NSHDSACASA-N 0 1 289.339 1.773 20 5 CDBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+](CCCO)C2CC2)c1 ZINC001608914329 1164683593 /nfs/dbraw/zinc/68/35/93/1164683593.db2.gz LVKBYIHQIUSGTH-UHFFFAOYSA-N 0 1 294.307 1.640 20 5 CDBDMN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCNCC1 ZINC001574428097 1170980238 /nfs/dbraw/zinc/98/02/38/1170980238.db2.gz AJUNVHWHDQHRAX-QWHCGFSZSA-N 0 1 275.308 1.130 20 5 CDBDMN C[NH2+]C(C)(C)CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001591214758 1173592249 /nfs/dbraw/zinc/59/22/49/1173592249.db2.gz BRHFRMXIXCGAMF-UHFFFAOYSA-N 0 1 297.344 1.246 20 5 CDBDMN C[NH2+]C(C)(C)CNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001591214758 1173592252 /nfs/dbraw/zinc/59/22/52/1173592252.db2.gz BRHFRMXIXCGAMF-UHFFFAOYSA-N 0 1 297.344 1.246 20 5 CDBDMN Cc1noc(C[N@@H+](C)C[C@H](C)C(=O)[O-])c1[N+](=O)[O-] ZINC001600812290 1174624140 /nfs/dbraw/zinc/62/41/40/1174624140.db2.gz FTKNPWYLTJNCTQ-LURJTMIESA-N 0 1 257.246 1.044 20 5 CDBDMN Cc1noc(C[N@H+](C)C[C@H](C)C(=O)[O-])c1[N+](=O)[O-] ZINC001600812290 1174624145 /nfs/dbraw/zinc/62/41/45/1174624145.db2.gz FTKNPWYLTJNCTQ-LURJTMIESA-N 0 1 257.246 1.044 20 5 CDBDMN O=C([O-])[C@H]1[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC001602204276 1175162600 /nfs/dbraw/zinc/16/26/00/1175162600.db2.gz IUYUFDBKDMMGBF-IAZYJMLFSA-N 0 1 280.255 1.496 20 5 CDBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000840672201 828372999 /nfs/dbraw/zinc/37/29/99/828372999.db2.gz GCBDKGCRIKUYNN-WHGOUJPWSA-N 0 1 280.236 1.864 20 5 CDBDMN O=[N+]([O-])c1ccc(CN[C@]2(CO)CCOC2)cc1Cl ZINC000783668705 822684887 /nfs/dbraw/zinc/68/48/87/822684887.db2.gz XNUHAWIGBXURGN-LBPRGKRZSA-N 0 1 286.715 1.489 20 5 CDBDMN O=C(N[C@H](c1cccs1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000840253920 822757057 /nfs/dbraw/zinc/75/70/57/822757057.db2.gz WWLKBMUMHQHFRI-KKZNHRDASA-N 0 1 266.322 1.981 20 5 CDBDMN CC(C)(C)[N@H+]1CC[C@@H]1COC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000845733891 823896762 /nfs/dbraw/zinc/89/67/62/823896762.db2.gz FMTNXSJFRUSDPR-SNVBAGLBSA-N 0 1 296.327 1.207 20 5 CDBDMN O=[N+]([O-])c1cccc(F)c1CN1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000886580828 824036344 /nfs/dbraw/zinc/03/63/44/824036344.db2.gz ZHHUCHGNYBCBSJ-ISTVAULSSA-N 0 1 280.299 1.937 20 5 CDBDMN O=C(O[C@@H]([C@@H]1CCCOC1)C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000841207774 824101996 /nfs/dbraw/zinc/10/19/96/824101996.db2.gz JKHNGMMNPGGTPU-BGZDPUMWSA-N 0 1 297.229 1.552 20 5 CDBDMN O=C(NCC1(c2ccc(F)cc2F)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839715820 828623774 /nfs/dbraw/zinc/62/37/74/828623774.db2.gz IDRNUZDKGNUGBK-BXKDBHETSA-N 0 1 296.273 1.778 20 5 CDBDMN CC(C)[C@H](C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)N(C)C ZINC000854497235 824200497 /nfs/dbraw/zinc/20/04/97/824200497.db2.gz LCESPGWWJNFQJK-GFCCVEGCSA-N 0 1 280.328 1.702 20 5 CDBDMN CCOC(=O)c1c(F)cccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841168257 824273637 /nfs/dbraw/zinc/27/36/37/824273637.db2.gz BMJFMYMCNDTKAF-GMSGAONNSA-N 0 1 296.254 1.606 20 5 CDBDMN Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOC[C@@H](C)C1 ZINC000878297986 824456963 /nfs/dbraw/zinc/45/69/63/824456963.db2.gz DALWWZIOWIXTOE-JTQLQIEISA-N 0 1 268.317 1.068 20 5 CDBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCOC[C@@H](C)C1 ZINC000878297986 824456969 /nfs/dbraw/zinc/45/69/69/824456969.db2.gz DALWWZIOWIXTOE-JTQLQIEISA-N 0 1 268.317 1.068 20 5 CDBDMN C[C@H](NCC[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC000791055307 824471255 /nfs/dbraw/zinc/47/12/55/824471255.db2.gz ROSZIVKLQGGKCB-NSHDSACASA-N 0 1 260.297 1.800 20 5 CDBDMN CN(Cc1cnc[nH]1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852287832 824825201 /nfs/dbraw/zinc/82/52/01/824825201.db2.gz HKMVZVHIIKCGSN-CYBMUJFWSA-N 0 1 276.296 1.483 20 5 CDBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@H]1C[C@@]12CCOC2 ZINC000837639683 824848747 /nfs/dbraw/zinc/84/87/47/824848747.db2.gz SGXITBSWUOMXCI-BXUZGUMPSA-N 0 1 293.275 1.770 20 5 CDBDMN O=C(NC[C@H]1CCCN(CC[N+](=O)[O-])C1)c1ccccc1 ZINC000929790047 824922641 /nfs/dbraw/zinc/92/26/41/824922641.db2.gz RLYUXQCYGFUTEN-CYBMUJFWSA-N 0 1 291.351 1.405 20 5 CDBDMN C[C@H](C(=O)OCc1c[nH]nn1)c1ccc([N+](=O)[O-])cc1F ZINC000838898457 825165525 /nfs/dbraw/zinc/16/55/25/825165525.db2.gz UUWVNZUPLNYRCQ-ZETCQYMHSA-N 0 1 294.242 1.699 20 5 CDBDMN C[C@@H](NCC[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000930230839 825231901 /nfs/dbraw/zinc/23/19/01/825231901.db2.gz XEACTBSCLSHHOM-LLVKDONJSA-N 0 1 260.297 1.800 20 5 CDBDMN C[C@H]1CC2(CN1C(=O)[C@@H]1CC1[N+](=O)[O-])CCOCC2 ZINC000843725776 825444170 /nfs/dbraw/zinc/44/41/70/825444170.db2.gz WXTDZHHUCFVJEN-HBNTYKKESA-N 0 1 268.313 1.069 20 5 CDBDMN CC[C@@H](C(=O)OC)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837667300 825472762 /nfs/dbraw/zinc/47/27/62/825472762.db2.gz NCYISCBDPYJXLQ-JTQLQIEISA-N 0 1 297.263 1.543 20 5 CDBDMN COCC(C)(C)COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000813995182 825710233 /nfs/dbraw/zinc/71/02/33/825710233.db2.gz RGXUXHNZYIUBGY-UHFFFAOYSA-N 0 1 256.258 1.752 20 5 CDBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])C1(O)CCCC1 ZINC000837431644 825807054 /nfs/dbraw/zinc/80/70/54/825807054.db2.gz STEVNUFIEOJOOH-UHFFFAOYSA-N 0 1 281.264 1.649 20 5 CDBDMN C[C@@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])C[C@H](C)N1C ZINC000814928914 825896848 /nfs/dbraw/zinc/89/68/48/825896848.db2.gz NDHRSUHLERAWOA-PHIMTYICSA-N 0 1 289.339 1.771 20 5 CDBDMN O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@H](O)C2)cc1 ZINC000776270204 826012464 /nfs/dbraw/zinc/01/24/64/826012464.db2.gz APKJHXDAGFOXLL-QWHCGFSZSA-N 0 1 266.297 1.085 20 5 CDBDMN CN(c1ccccc1)[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000856089101 826168491 /nfs/dbraw/zinc/16/84/91/826168491.db2.gz GOXYFWHUUYCMAQ-BFHYXJOUSA-N 0 1 289.335 1.389 20 5 CDBDMN Cc1c(CN[C@H]2CS(=O)(=O)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000711686174 826192422 /nfs/dbraw/zinc/19/24/22/826192422.db2.gz BKLVOABABGWRLA-SKDRFNHKSA-N 0 1 298.364 1.426 20 5 CDBDMN O=C1NCCN1CCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000886324445 826348778 /nfs/dbraw/zinc/34/87/78/826348778.db2.gz RFBZKGVHYGSZON-UHFFFAOYSA-N 0 1 298.730 1.363 20 5 CDBDMN CCC1(CC)[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H]1OC ZINC000839706236 826392031 /nfs/dbraw/zinc/39/20/31/826392031.db2.gz SYHGEVYUPNZZNZ-DBIOUOCHSA-N 0 1 270.329 1.362 20 5 CDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCS[C@@H]2CCCC[C@H]21 ZINC000839702289 826473829 /nfs/dbraw/zinc/47/38/29/826473829.db2.gz ZQSGYWRKNHHBSU-GWOFURMSSA-N 0 1 270.354 1.538 20 5 CDBDMN CO[C@@H]1COC[C@H]1NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000830102542 826684966 /nfs/dbraw/zinc/68/49/66/826684966.db2.gz KXHNVDVGRZYLIK-ZYHUDNBSSA-N 0 1 270.260 1.237 20 5 CDBDMN CCS[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839698914 826763532 /nfs/dbraw/zinc/76/35/32/826763532.db2.gz SLSGBDQKUBZPKC-UTINFBMNSA-N 0 1 258.343 1.442 20 5 CDBDMN C[C@@](N)(C(=O)N[C@@H]1CC=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000876943102 826820396 /nfs/dbraw/zinc/82/03/96/826820396.db2.gz BVINAONIUFCEBC-DOMZBBRYSA-N 0 1 289.335 1.994 20 5 CDBDMN O=C(OC[C@@H]1CCOc2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000842335424 826824728 /nfs/dbraw/zinc/82/47/28/826824728.db2.gz ACRPLIAWRRTZAK-MVWJERBFSA-N 0 1 277.276 1.761 20 5 CDBDMN CC1CC(CNC(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)C1 ZINC000870958416 826863862 /nfs/dbraw/zinc/86/38/62/826863862.db2.gz BWPOUQQEQMNRMD-NWHVRFAMSA-N 0 1 291.351 1.931 20 5 CDBDMN O=c1c(Cl)cc([N+](=O)[O-])cn1CCN1CCCC1 ZINC000776433097 827343992 /nfs/dbraw/zinc/34/39/92/827343992.db2.gz NUUFLZYPMODWSS-UHFFFAOYSA-N 0 1 271.704 1.506 20 5 CDBDMN Cc1c(CC(=O)NC[C@@H]2CCN2C)cccc1[N+](=O)[O-] ZINC000928560133 827410935 /nfs/dbraw/zinc/41/09/35/827410935.db2.gz SMEOTSYSUAUGFF-LBPRGKRZSA-N 0 1 277.324 1.266 20 5 CDBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)NCC1CCCCC1 ZINC000840672332 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O=C1C[C@H]2CC[C@@H](C1)N2C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000372453226 160122504 /nfs/dbraw/zinc/12/25/04/160122504.db2.gz GWTKMCNHTURMRF-ZOWXZIJZSA-N 0 1 290.319 1.824 20 5 CDBDMN NC(=O)C1(NCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000078660426 177367646 /nfs/dbraw/zinc/36/76/46/177367646.db2.gz HLKLSCMOHVTYMP-UHFFFAOYSA-N 0 1 277.324 1.873 20 5 CDBDMN Cc1ccccc1OCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000179577890 260055403 /nfs/dbraw/zinc/05/54/03/260055403.db2.gz XJCLKYFHTIINQY-UHFFFAOYSA-N 0 1 290.279 1.435 20 5 CDBDMN C[C@H](N[C@@H]1CCN(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000116388613 279344672 /nfs/dbraw/zinc/34/46/72/279344672.db2.gz DJRAUYINOATKNI-JOYOIKCWSA-N 0 1 263.297 1.476 20 5 CDBDMN COCC(C)(C)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000154884241 289220293 /nfs/dbraw/zinc/22/02/93/289220293.db2.gz XWGUXLABOVQNJU-UHFFFAOYSA-N 0 1 281.312 1.548 20 5 CDBDMN CO[C@H]1C[C@@H](C(=O)[O-])[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000583570108 325201987 /nfs/dbraw/zinc/20/19/87/325201987.db2.gz 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ZINC000050417759 527524163 /nfs/dbraw/zinc/52/41/63/527524163.db2.gz KNGKBOQMECSUOB-UHFFFAOYSA-N 0 1 261.285 1.056 20 5 CDBDMN CCCC[N@@H+](C)CCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160334214 528346688 /nfs/dbraw/zinc/34/66/88/528346688.db2.gz DWVKHABPNATEDC-UHFFFAOYSA-N 0 1 295.339 1.762 20 5 CDBDMN CC[C@@H](C)CON=c1[nH]ccc(C(N)=O)c1[N+](=O)[O-] ZINC000291850185 529329810 /nfs/dbraw/zinc/32/98/10/529329810.db2.gz MIOQODDRGWSSJO-SSDOTTSWSA-N 0 1 268.273 1.478 20 5 CDBDMN CCc1[nH]nc(-c2nc([C@H](N)CC(C)C)no2)c1[N+](=O)[O-] ZINC000414619229 535997227 /nfs/dbraw/zinc/99/72/27/535997227.db2.gz NSHOYXYNQDLPMQ-SSDOTTSWSA-N 0 1 294.315 1.976 20 5 CDBDMN CCc1cc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000732792582 575096563 /nfs/dbraw/zinc/09/65/63/575096563.db2.gz CVGCVEAAPRYKAH-UHFFFAOYSA-N 0 1 288.307 1.739 20 5 CDBDMN O=[N+]([O-])c1c(F)cccc1N1CCN(CCCCO)CC1 ZINC000750180440 576980830 /nfs/dbraw/zinc/98/08/30/576980830.db2.gz NSFFNXUIBGAEMO-UHFFFAOYSA-N 0 1 297.330 1.628 20 5 CDBDMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000054070631 597475109 /nfs/dbraw/zinc/47/51/09/597475109.db2.gz MILPCGGQMJUINN-SSDOTTSWSA-N 0 1 256.233 1.639 20 5 CDBDMN O=C([O-])[C@@]1(F)CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000833174150 601440431 /nfs/dbraw/zinc/44/04/31/601440431.db2.gz BNMKAHQIVQXDLG-CYBMUJFWSA-N 0 1 282.271 1.636 20 5 CDBDMN C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000251738848 601522571 /nfs/dbraw/zinc/52/25/71/601522571.db2.gz KSFBUSPDBKQAHL-GXSJLCMTSA-N 0 1 264.281 1.747 20 5 CDBDMN Cc1nn(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)c(C)c1[N+](=O)[O-] ZINC000833017123 601894618 /nfs/dbraw/zinc/89/46/18/601894618.db2.gz XLZPPLFMXMCIDS-LBPRGKRZSA-N 0 1 282.300 1.162 20 5 CDBDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000833419012 604862916 /nfs/dbraw/zinc/86/29/16/604862916.db2.gz CTDORDPCVZMXFR-SNVBAGLBSA-N 0 1 296.327 1.572 20 5 CDBDMN CC[C@H]1CN(Cc2ccc(O)c(OC)c2[N+](=O)[O-])C[C@H]1O ZINC000892242008 617573013 /nfs/dbraw/zinc/57/30/13/617573013.db2.gz NNMDJMRLVZPLKZ-JOYOIKCWSA-N 0 1 296.323 1.512 20 5 CDBDMN CC(C)C[C@H]1COCC[C@H]1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000893494740 617992912 /nfs/dbraw/zinc/99/29/12/617992912.db2.gz TZIUHDDTKOPESZ-IRCOFANPSA-N 0 1 271.313 1.646 20 5 CDBDMN CC(=O)c1ccc(N2CC[C@H]3CN(C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000893941923 618206585 /nfs/dbraw/zinc/20/65/85/618206585.db2.gz XOJFFACUFLJZKG-SWLSCSKDSA-N 0 1 289.335 1.938 20 5 CDBDMN CCOc1ccc(COC(=O)[C@@H]2CC2[N+](=O)[O-])nc1 ZINC000840670876 618418224 /nfs/dbraw/zinc/41/82/24/618418224.db2.gz MHVUJDSPMOMSOG-GHMZBOCLSA-N 0 1 266.253 1.189 20 5 CDBDMN COC(=O)c1cccc(COC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000840672426 618502176 /nfs/dbraw/zinc/50/21/76/618502176.db2.gz QCLKXEVPLZRXFT-GHMZBOCLSA-N 0 1 279.248 1.182 20 5 CDBDMN C[C@H](NC(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccs1 ZINC000840672410 618502311 /nfs/dbraw/zinc/50/23/11/618502311.db2.gz LHISHEFBRZGBAP-DJLDLDEBSA-N 0 1 298.320 1.134 20 5 CDBDMN Cc1ccc(-c2cc(C(=O)O[C@@H](C)C[N+](=O)[O-])[nH]n2)o1 ZINC000814045810 618697889 /nfs/dbraw/zinc/69/78/89/618697889.db2.gz ZXFSOUOJQVYZDC-QMMMGPOBSA-N 0 1 279.252 1.800 20 5 CDBDMN Cc1ccc(CNCC[N+](=O)[O-])c(-n2cc(Cl)cn2)n1 ZINC000905227617 626683641 /nfs/dbraw/zinc/68/36/41/626683641.db2.gz DHHXILJQFOJJIO-UHFFFAOYSA-N 0 1 295.730 1.595 20 5 CDBDMN Nc1nnc(C(F)(F)F)n1-c1ccc(O)c([N+](=O)[O-])c1 ZINC001210393242 1167360211 /nfs/dbraw/zinc/36/02/11/1167360211.db2.gz WJGRFQRANMAHLE-UHFFFAOYSA-N 0 1 289.173 1.482 20 5 CDBDMN C[C@@H]1CCC[C@H](n2cc([N+](=O)[O-])c(-c3nn[nH]n3)n2)C1 ZINC001590255282 1173324535 /nfs/dbraw/zinc/32/45/35/1173324535.db2.gz UJQAKGNABCPPSL-SFYZADRCSA-N 0 1 277.288 1.723 20 5 CDBDMN CN1CCO[C@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000301752538 719372525 /nfs/dbraw/zinc/37/25/25/719372525.db2.gz VNSLRFGAIYZINC-MNOVXSKESA-N 0 1 298.730 1.162 20 5 CDBDMN CC(C)[N@@H+](CCO)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001609705090 1165048983 /nfs/dbraw/zinc/04/89/83/1165048983.db2.gz MIQZDBGOFKWUMI-UHFFFAOYSA-N 0 1 282.296 1.496 20 5 CDBDMN C[C@H]([N@@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C(C)(C)O ZINC001609760441 1165070774 /nfs/dbraw/zinc/07/07/74/1165070774.db2.gz GGZLUFOCCLYDIF-VIFPVBQESA-N 0 1 296.323 1.884 20 5 CDBDMN COC[C@@](C)(CO)NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000716801168 828897701 /nfs/dbraw/zinc/89/77/01/828897701.db2.gz MVLUBJXRPHCJJB-GFCCVEGCSA-N 0 1 272.276 1.221 20 5 CDBDMN CC(=O)c1ccc(N2C[C@H]3CC[N@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000828987867 828824776 /nfs/dbraw/zinc/82/47/76/828824776.db2.gz MQGREIDBAPBOJG-DOMZBBRYSA-N 0 1 289.335 1.938 20 5 CDBDMN CC(=O)c1ccc(N2C[C@H]3CCN(C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000828987867 828824779 /nfs/dbraw/zinc/82/47/79/828824779.db2.gz MQGREIDBAPBOJG-DOMZBBRYSA-N 0 1 289.335 1.938 20 5 CDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(c2ncco2)CC1 ZINC000862106837 833108019 /nfs/dbraw/zinc/10/80/19/833108019.db2.gz WUIHSAVZQNMHBG-NXEZZACHSA-N 0 1 265.269 1.046 20 5 CDBDMN CO[C@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccccc1 ZINC000840674095 828835764 /nfs/dbraw/zinc/83/57/64/828835764.db2.gz GUFYOGDSHBFULG-YNEHKIRRSA-N 0 1 279.292 1.453 20 5 CDBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)OCc1c[nH]nn1 ZINC000817734313 828860765 /nfs/dbraw/zinc/86/07/65/828860765.db2.gz DYXQFNHJGAKJSM-UHFFFAOYSA-N 0 1 276.252 1.687 20 5 CDBDMN O=[N+]([O-])CCN1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000929809186 828969071 /nfs/dbraw/zinc/96/90/71/828969071.db2.gz KRWPHQLKXHWRML-QWRGUYRKSA-N 0 1 270.354 1.913 20 5 CDBDMN O=[N+]([O-])c1ccc(CNCCO[C@@H]2CCOC2)c(F)c1 ZINC000922939553 828995215 /nfs/dbraw/zinc/99/52/15/828995215.db2.gz GWKQGVLCGSIMAL-GFCCVEGCSA-N 0 1 284.287 1.629 20 5 CDBDMN CO[C@@H]1CCOC[C@H]1NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000724880989 829041977 /nfs/dbraw/zinc/04/19/77/829041977.db2.gz WSYCYDFRMFTRFM-TZMCWYRMSA-N 0 1 280.324 1.797 20 5 CDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H](OC2CCC2)C1 ZINC000848304773 829188799 /nfs/dbraw/zinc/18/87/99/829188799.db2.gz UMNWGXMJNDXBLS-IJLUTSLNSA-N 0 1 268.313 1.212 20 5 CDBDMN O=C(CC[C@@H]1CCCCO1)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840674532 829395449 /nfs/dbraw/zinc/39/54/49/829395449.db2.gz MCALZJUNFYDLPD-QJPTWQEYSA-N 0 1 285.296 1.113 20 5 CDBDMN CCS[C@H]1CCC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839697377 829872036 /nfs/dbraw/zinc/87/20/36/829872036.db2.gz GGOHEUMPNHZAMY-LMLFDSFASA-N 0 1 272.370 1.832 20 5 CDBDMN CC1(C)C[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C(C)(C)O1 ZINC000842341580 830309729 /nfs/dbraw/zinc/30/97/29/830309729.db2.gz QAWFFCBZTPXKAD-IWSPIJDZSA-N 0 1 257.286 1.541 20 5 CDBDMN O=[N+]([O-])c1ccc(-c2ncn(CN3CCCC3)n2)cc1 ZINC000029498534 830706806 /nfs/dbraw/zinc/70/68/06/830706806.db2.gz TVCJVABDZLPOKF-UHFFFAOYSA-N 0 1 273.296 1.907 20 5 CDBDMN COC[C@H](CO)NCc1cccc([N+](=O)[O-])c1C ZINC000229174407 832086700 /nfs/dbraw/zinc/08/67/00/832086700.db2.gz JJMBCERONNDDMT-NSHDSACASA-N 0 1 254.286 1.000 20 5 CDBDMN O=C(NCc1noc2ccccc12)[C@@H]1CC1[N+](=O)[O-] ZINC000847277408 832194691 /nfs/dbraw/zinc/19/46/91/832194691.db2.gz VCONZXSHVWZJHP-PSASIEDQSA-N 0 1 261.237 1.109 20 5 CDBDMN CN[C@@H](C)c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000848627667 832345615 /nfs/dbraw/zinc/34/56/15/832345615.db2.gz OSTXGUIFGNWWLC-YFKPBYRVSA-N 0 1 254.271 1.987 20 5 CDBDMN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000088059353 832399050 /nfs/dbraw/zinc/39/90/50/832399050.db2.gz VLANPCLDVFIEOP-SECBINFHSA-N 0 1 264.285 1.420 20 5 CDBDMN C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839721412 832539652 /nfs/dbraw/zinc/53/96/52/832539652.db2.gz LWOKJMSDNGCPGP-FNCVBFRFSA-N 0 1 280.246 1.841 20 5 CDBDMN O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)[C@@H]1CC1[N+](=O)[O-] ZINC000839626392 832649859 /nfs/dbraw/zinc/64/98/59/832649859.db2.gz QIIBWGYGEZYDSA-AAVRWANBSA-N 0 1 290.319 1.688 20 5 CDBDMN COc1cccc2c1CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC000839785653 832803321 /nfs/dbraw/zinc/80/33/21/832803321.db2.gz JLJDBGATRJABHS-ZYHUDNBSSA-N 0 1 276.292 1.245 20 5 CDBDMN CCOC(=O)c1ccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000840247482 832843244 /nfs/dbraw/zinc/84/32/44/832843244.db2.gz OVMFCOWAWANMLX-GHMZBOCLSA-N 0 1 279.248 1.434 20 5 CDBDMN CCc1nc(CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])n[nH]1 ZINC000828268628 834029735 /nfs/dbraw/zinc/02/97/35/834029735.db2.gz ZMBHWYJFNRRMBD-UHFFFAOYSA-N 0 1 292.255 1.796 20 5 CDBDMN CC(C)(O)[C@H]1CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886315659 834188381 /nfs/dbraw/zinc/18/83/81/834188381.db2.gz WIUIHCZGZLQHSG-NSHDSACASA-N 0 1 265.313 1.583 20 5 CDBDMN O=[N+]([O-])c1ccccc1OCCN1C[C@H]2C[C@@]2(CO)C1 ZINC000782617870 834539819 /nfs/dbraw/zinc/53/98/19/834539819.db2.gz GHUPAVHICMPPMA-RISCZKNCSA-N 0 1 278.308 1.288 20 5 CDBDMN O=C(O[C@H]1CCN(c2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000851185319 834563048 /nfs/dbraw/zinc/56/30/48/834563048.db2.gz XPOLUVRVLZVHOP-YNEHKIRRSA-N 0 1 276.292 1.474 20 5 CDBDMN O=[N+]([O-])c1ccc(CN[C@@H](CO)C[C@H]2CCCO2)c(F)c1 ZINC000886227097 834834040 /nfs/dbraw/zinc/83/40/40/834834040.db2.gz WKUIBXGZIYVCLE-DGCLKSJQSA-N 0 1 298.314 1.754 20 5 CDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H](C(F)(F)F)C1 ZINC000888023546 834859336 /nfs/dbraw/zinc/85/93/36/834859336.db2.gz XYRHMEGBDRTDLL-RRKCRQDMSA-N 0 1 252.192 1.062 20 5 CDBDMN C[C@@]1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])OCCc2ccccc21 ZINC000882325400 834981162 /nfs/dbraw/zinc/98/11/62/834981162.db2.gz ZYDSOMLGICTGRQ-KYOSRNDESA-N 0 1 290.319 1.256 20 5 CDBDMN C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000828448194 835021319 /nfs/dbraw/zinc/02/13/19/835021319.db2.gz BSIVHLZBSVBSEG-MNOVXSKESA-N 0 1 294.307 1.626 20 5 CDBDMN CC(C)(C)C(=O)NCCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000797984567 835080592 /nfs/dbraw/zinc/08/05/92/835080592.db2.gz ZFQNEWHNZIMIHY-UHFFFAOYSA-N 0 1 283.284 1.242 20 5 CDBDMN Cc1ccc(NCC[N@H+](C)CCOCCO)c([N+](=O)[O-])c1 ZINC000882951578 835230272 /nfs/dbraw/zinc/23/02/72/835230272.db2.gz LGUDYBTWBDAZBR-UHFFFAOYSA-N 0 1 297.355 1.256 20 5 CDBDMN O=C(NCC[C@@H]1CCCC1(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000881589491 835369698 /nfs/dbraw/zinc/36/96/98/835369698.db2.gz VQRASINPQHKWKH-DJLDLDEBSA-N 0 1 262.256 1.593 20 5 CDBDMN O=C(OC1CN(Cc2ccc(F)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000842348655 835381881 /nfs/dbraw/zinc/38/18/81/835381881.db2.gz KNURQVYCEASXKM-CHWSQXEVSA-N 0 1 294.282 1.218 20 5 CDBDMN C[C@@H](COc1cccc(F)c1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839567092 835499285 /nfs/dbraw/zinc/49/92/85/835499285.db2.gz FUCGWDAJBFYOIP-XXILOJSOSA-N 0 1 282.271 1.374 20 5 CDBDMN CCc1coc(CN[C@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168965252 927587188 /nfs/dbraw/zinc/58/71/88/927587188.db2.gz YOTRRLZQMRZFTC-ONGXEEELSA-N 0 1 253.302 1.772 20 5 CDBDMN Cc1c(NC[C@H]2COCCN2)cc(F)cc1[N+](=O)[O-] ZINC001170045574 929142059 /nfs/dbraw/zinc/14/20/59/929142059.db2.gz RICIZTMCCDSSRU-JTQLQIEISA-N 0 1 269.276 1.443 20 5 CDBDMN CC[C@@](N)(CO)Nc1cc([N+](=O)[O-])c(C)cc1OC ZINC001170862307 930498339 /nfs/dbraw/zinc/49/83/39/930498339.db2.gz HXJFOJUOBQORHV-LBPRGKRZSA-N 0 1 269.301 1.381 20 5 CDBDMN CC[C@](N)(CO)Nc1cccc(OC)c1[N+](=O)[O-] ZINC001170865233 930516300 /nfs/dbraw/zinc/51/63/00/930516300.db2.gz KXSNHIPKHTXROK-LLVKDONJSA-N 0 1 255.274 1.073 20 5 CDBDMN CC[C@](N)(CO)Nc1cc(F)cc(F)c1[N+](=O)[O-] ZINC001170865721 930531633 /nfs/dbraw/zinc/53/16/33/930531633.db2.gz QBNDKXNDPSTNMF-SNVBAGLBSA-N 0 1 261.228 1.342 20 5 CDBDMN O=C1NC(=O)[C@@H](Nc2ccc3[nH]cc([N+](=O)[O-])c3n2)S1 ZINC001155842261 937680332 /nfs/dbraw/zinc/68/03/32/937680332.db2.gz KPWZLEBZJTWURC-VIFPVBQESA-N 0 1 293.264 1.192 20 5 CDBDMN CN1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC001156590571 938390591 /nfs/dbraw/zinc/39/05/91/938390591.db2.gz NASQKIGPOQZKKA-GFCCVEGCSA-N 0 1 295.314 1.804 20 5 CDBDMN O=[N+]([O-])c1cccc(NCCN2CCSCC2)n1 ZINC001157044463 938448971 /nfs/dbraw/zinc/44/89/71/938448971.db2.gz XSVDKSYRTKIQOK-UHFFFAOYSA-N 0 1 268.342 1.451 20 5 CDBDMN O=[N+]([O-])c1cc(NCc2noc3c2CNCC3)cnc1F ZINC001163134652 939209559 /nfs/dbraw/zinc/20/95/59/939209559.db2.gz ZPLNRVWHGVMVPF-UHFFFAOYSA-N 0 1 293.258 1.375 20 5 CDBDMN Cn1cncc1-n1c2ccccc2nc2cc(N)c(=O)cc1-2 ZINC001211252631 940741061 /nfs/dbraw/zinc/74/10/61/940741061.db2.gz RMCMSSQGFVUOBA-UHFFFAOYSA-N 0 1 291.314 1.806 20 5 CDBDMN O=[N+]([O-])c1ccc(O)cc1OC1CCC(O)CC1 ZINC001218365889 941210498 /nfs/dbraw/zinc/21/04/98/941210498.db2.gz KYNXUOPSLLTFJZ-UHFFFAOYSA-N 0 1 253.254 1.983 20 5 CDBDMN CC(C)[N@@H+]1CC[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225666448 941897024 /nfs/dbraw/zinc/89/70/24/941897024.db2.gz IYRMJRSUXNJHNO-SECBINFHSA-N 0 1 267.285 1.557 20 5 CDBDMN CC(C)[N@H+]1CC[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225666448 941897026 /nfs/dbraw/zinc/89/70/26/941897026.db2.gz IYRMJRSUXNJHNO-SECBINFHSA-N 0 1 267.285 1.557 20 5 CDBDMN O=c1nc2ccc([N+](=O)[O-])cc2c(OC[C@@H]2CCCO2)[nH]1 ZINC001227094497 942131577 /nfs/dbraw/zinc/13/15/77/942131577.db2.gz CZRJXJHRDGIOTP-VIFPVBQESA-N 0 1 291.263 1.801 20 5 CDBDMN CCC(=O)[C@@H](CC)Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229382524 942461975 /nfs/dbraw/zinc/46/19/75/942461975.db2.gz 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C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)C1=NN(C)CC1=O ZINC001304544225 956203305 /nfs/dbraw/zinc/20/33/05/956203305.db2.gz IJYNLRWAWMVYAV-LURJTMIESA-N 0 1 296.308 1.586 20 5 CDBDMN CC(C)(C)[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC001308169518 956486988 /nfs/dbraw/zinc/48/69/88/956486988.db2.gz ZRWAVGPEWRGECE-ZDUSSCGKSA-N 0 1 296.371 1.928 20 5 CDBDMN COc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001331384683 957012248 /nfs/dbraw/zinc/01/22/48/957012248.db2.gz BYNSNPMHFJHWSH-GGZOMVNGSA-N 0 1 293.275 1.475 20 5 CDBDMN C[C@@H](C[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000042705844 957426215 /nfs/dbraw/zinc/42/62/15/957426215.db2.gz FZMKHSJCYACMBK-QMMMGPOBSA-N 0 1 270.260 1.886 20 5 CDBDMN CC[C@@H](CO)N(CC[N+](=O)[O-])Cc1ccccc1 ZINC001332869857 957906288 /nfs/dbraw/zinc/90/62/88/957906288.db2.gz XOHICUZNGLKCJS-ZDUSSCGKSA-N 0 1 252.314 1.536 20 5 CDBDMN O=C(N[C@@H]1CN2CCC1CC2)c1ccc([N+](=O)[O-])cc1F ZINC001339141587 962194984 /nfs/dbraw/zinc/19/49/84/962194984.db2.gz 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COCCN1CCC[C@@H](Nc2ncc(C)cc2[N+](=O)[O-])C1 ZINC000078660357 350839901 /nfs/dbraw/zinc/83/99/01/350839901.db2.gz DKJWINAEMWMXIW-GFCCVEGCSA-N 0 1 294.355 1.821 20 5 CDBDMN C[C@@H](NC(=O)C[C@@H]1COCCN1)c1cccc([N+](=O)[O-])c1 ZINC000130272831 187483005 /nfs/dbraw/zinc/48/30/05/187483005.db2.gz ZLWSITUGYUGYPX-ZYHUDNBSSA-N 0 1 293.323 1.151 20 5 CDBDMN CC(C)[N@@H+](C)CCNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000394390604 356018976 /nfs/dbraw/zinc/01/89/76/356018976.db2.gz CCYKFXIMHIKELG-UHFFFAOYSA-N 0 1 282.300 1.440 20 5 CDBDMN CSc1ccc([N+](=O)[O-])c(C(=O)NCc2nnc[nH]2)c1 ZINC000037920688 356562942 /nfs/dbraw/zinc/56/29/42/356562942.db2.gz BZORPBATQRAEFG-UHFFFAOYSA-N 0 1 293.308 1.365 20 5 CDBDMN CC[C@H]1C[N@H+](C)CCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000566875158 358507081 /nfs/dbraw/zinc/50/70/81/358507081.db2.gz QHRFESNCNLLKHL-NSHDSACASA-N 0 1 293.323 1.467 20 5 CDBDMN CC[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000566875158 358507083 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AHXPHHQFPIVOBV-UHFFFAOYSA-N 0 1 274.280 1.810 20 5 CDBDMN C[C@@H]1[C@H](C)N(c2nc3ccccn3c2[N+](=O)[O-])CCN1C ZINC000771286829 575564797 /nfs/dbraw/zinc/56/47/97/575564797.db2.gz GQHFMLYZKFCBHN-MNOVXSKESA-N 0 1 289.339 1.771 20 5 CDBDMN O=C(OC[C@H]1CCCOC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000766306489 576094073 /nfs/dbraw/zinc/09/40/73/576094073.db2.gz INQHVQOSHPVYOQ-QMMMGPOBSA-N 0 1 254.242 1.506 20 5 CDBDMN CCOC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000768192814 576263806 /nfs/dbraw/zinc/26/38/06/576263806.db2.gz VRICXQOZTCSEMD-ZCFIWIBFSA-N 0 1 256.214 1.031 20 5 CDBDMN COc1cc(CN[C@H]2COC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000932487458 617314326 /nfs/dbraw/zinc/31/43/26/617314326.db2.gz BLJFMIZEZQTLKD-KWQFWETISA-N 0 1 284.287 1.867 20 5 CDBDMN O=C(NCCCOc1cccc(F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000891240869 617390150 /nfs/dbraw/zinc/39/01/50/617390150.db2.gz PTZSWMVLHKTXPV-VXGBXAGGSA-N 0 1 282.271 1.376 20 5 CDBDMN COc1ccc(CN[C@@H]2COCC[C@H]2OC)cc1[N+](=O)[O-] ZINC000934044359 617867385 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CC(=O)c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000906212484 627149356 /nfs/dbraw/zinc/14/93/56/627149356.db2.gz QOMQWMXFJVFIKS-MWLCHTKSSA-N 0 1 266.228 1.632 20 5 CDBDMN CC[C@@H]1C[N@@H+](C)CCN1c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000910356707 629024626 /nfs/dbraw/zinc/02/46/26/629024626.db2.gz GTDPYECKDFJYTK-SECBINFHSA-N 0 1 294.311 1.218 20 5 CDBDMN CCC1(CC)[C@@H](OC)C[C@@H]1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842322364 630628987 /nfs/dbraw/zinc/62/89/87/630628987.db2.gz UBNPIRLFQNKRRW-ZNSHCXBVSA-N 0 1 271.313 1.789 20 5 CDBDMN CC[C@@H](c1ccccc1)n1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 ZINC001577057507 1171593480 /nfs/dbraw/zinc/59/34/80/1171593480.db2.gz GDZJFOSLNJVTQN-JTQLQIEISA-N 0 1 299.294 1.971 20 5 CDBDMN O=C([O-])CCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC001601991100 1175101982 /nfs/dbraw/zinc/10/19/82/1175101982.db2.gz YNIVYQUUPVDJRI-UHFFFAOYSA-N 0 1 265.269 1.213 20 5 CDBDMN O=C([O-])[C@]12CCC[C@H]1[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC001602223119 1175174450 /nfs/dbraw/zinc/17/44/50/1175174450.db2.gz UGAUXKRGVFWUCY-MFKMUULPSA-N 0 1 294.311 1.121 20 5 CDBDMN CCCN[C@@H](C)c1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 ZINC000843222800 697633737 /nfs/dbraw/zinc/63/37/37/697633737.db2.gz VLCBOQDAOOGDIC-ZETCQYMHSA-N 0 1 294.315 1.747 20 5 CDBDMN COc1ccccc1O[C@@H](C)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839692339 697866429 /nfs/dbraw/zinc/86/64/29/697866429.db2.gz SNQOGICUEZVYOS-HBNTYKKESA-N 0 1 294.307 1.244 20 5 CDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](c2ccncc2)C1 ZINC000844143873 697899803 /nfs/dbraw/zinc/89/98/03/697899803.db2.gz XUAFYUJJINUPJR-YNEHKIRRSA-N 0 1 275.308 1.453 20 5 CDBDMN Cc1cc([C@H]2CCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])on1 ZINC000839535517 697938303 /nfs/dbraw/zinc/93/83/03/697938303.db2.gz HRXVJPWTAUQYKL-OPRDCNLKSA-N 0 1 265.269 1.312 20 5 CDBDMN Cc1c(CN[C@H](C)C(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000049098646 697977696 /nfs/dbraw/zinc/97/76/96/697977696.db2.gz LSSFPKIDSSOZJT-SNVBAGLBSA-N 0 1 265.313 1.470 20 5 CDBDMN COC(=O)c1ccc(OC)cc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840334511 697985392 /nfs/dbraw/zinc/98/53/92/697985392.db2.gz FCKBWQSPEYRHCP-MWLCHTKSSA-N 0 1 294.263 1.086 20 5 CDBDMN CCCOCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837472621 697989040 /nfs/dbraw/zinc/98/90/40/697989040.db2.gz UXIXSHBYVBISRB-UHFFFAOYSA-N 0 1 269.253 1.770 20 5 CDBDMN C[C@@H](NC(=O)CN1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000928247849 698221101 /nfs/dbraw/zinc/22/11/01/698221101.db2.gz DWFOVKBDJXKKMR-LLVKDONJSA-N 0 1 277.324 1.868 20 5 CDBDMN CCN1CC[C@H]1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000882959914 698228316 /nfs/dbraw/zinc/22/83/16/698228316.db2.gz TXSLCLGLOMYITI-JTQLQIEISA-N 0 1 250.302 1.683 20 5 CDBDMN Cn1cc(CN2CC[C@@]3(CO)CCC[C@@H]23)c([N+](=O)[O-])n1 ZINC000886636118 698277408 /nfs/dbraw/zinc/27/74/08/698277408.db2.gz GLTIYUNOTJDKQY-DGCLKSJQSA-N 0 1 280.328 1.065 20 5 CDBDMN Cc1nn(CN2CC[C@H]([C@@H]3CCCO3)C2)c(C)c1[N+](=O)[O-] ZINC000884482453 698308925 /nfs/dbraw/zinc/30/89/25/698308925.db2.gz BJWTWJWOHIMMFN-STQMWFEESA-N 0 1 294.355 1.867 20 5 CDBDMN CN(C[C@H]1OCCc2ccccc21)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839622399 698335369 /nfs/dbraw/zinc/33/53/69/698335369.db2.gz QZIRXVQXJJLIOB-MGPQQGTHSA-N 0 1 290.319 1.424 20 5 CDBDMN C[C@H](O)C[C@H]1CCCN1Cc1cccnc1[N+](=O)[O-] ZINC000886082906 698662565 /nfs/dbraw/zinc/66/25/65/698662565.db2.gz CCCNVVCIKUECTD-CMPLNLGQSA-N 0 1 265.313 1.725 20 5 CDBDMN O=[N+]([O-])c1c(NCc2n[nH]c(C3CC3)n2)nc2ccccn21 ZINC000828511295 698743792 /nfs/dbraw/zinc/74/37/92/698743792.db2.gz LWZSRMZLKBVGKH-UHFFFAOYSA-N 0 1 299.294 1.850 20 5 CDBDMN CC(C)n1cc([C@@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC000839681509 698780688 /nfs/dbraw/zinc/78/06/88/698780688.db2.gz RFEXKPWWLOPZRM-FBIMIBRVSA-N 0 1 266.301 1.306 20 5 CDBDMN CS[C@H]1CC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000121378380 698804912 /nfs/dbraw/zinc/80/49/12/698804912.db2.gz HWDZSJKLEBDGTG-BQBZGAKWSA-N 0 1 270.314 1.332 20 5 CDBDMN C[C@@H]1COC[C@@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000932503176 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CC[C@@H]1CN(C)CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886218020 698999028 /nfs/dbraw/zinc/99/90/28/698999028.db2.gz MMFMGXMDEUQALX-GFCCVEGCSA-N 0 1 264.329 1.516 20 5 CDBDMN O=C(N[C@H]1c2ccccc2CC[C@@H]1F)[C@@H]1CC1[N+](=O)[O-] ZINC000882703493 704848468 /nfs/dbraw/zinc/84/84/68/704848468.db2.gz CVBGIAJWYSWYOA-XQHKEYJVSA-N 0 1 278.283 1.793 20 5 CDBDMN CCOC(=O)CC[C@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000930076854 704935124 /nfs/dbraw/zinc/93/51/24/704935124.db2.gz QMWFVJMPDOTKPO-LLVKDONJSA-N 0 1 258.318 1.318 20 5 CDBDMN O=C(NCCC[C@@H]1CC1(Cl)Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000844959666 704938709 /nfs/dbraw/zinc/93/87/09/704938709.db2.gz SVTRQLSEIYBJBO-BWZBUEFSSA-N 0 1 281.139 1.742 20 5 CDBDMN O=[N+]([O-])c1ccc(Cl)cc1CNC/C=C\CO ZINC000717561907 705081794 /nfs/dbraw/zinc/08/17/94/705081794.db2.gz MAXVMZVEFIHGAS-UPHRSURJSA-N 0 1 256.689 1.886 20 5 CDBDMN C[C@H](O)[C@@H]1CCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886081222 705127157 /nfs/dbraw/zinc/12/71/57/705127157.db2.gz KDFXUSYWZHXIGM-WDEREUQCSA-N 0 1 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/nfs/dbraw/zinc/66/76/55/848667655.db2.gz LPHVLZJSIDMKJG-FDYHWXHSSA-N 0 1 284.356 1.752 20 5 CDBDMN CC1(C)CCC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839790166 848743818 /nfs/dbraw/zinc/74/38/18/848743818.db2.gz SLFUHUAPXNBSKP-HBNTYKKESA-N 0 1 254.330 1.984 20 5 CDBDMN C[C@@H](Cc1cccc(F)c1)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839798712 848749121 /nfs/dbraw/zinc/74/91/21/848749121.db2.gz WPDAVSDIEMCULA-ZWKOPEQDSA-N 0 1 280.299 1.880 20 5 CDBDMN C[C@H](CCCC(F)(F)F)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839735845 848781774 /nfs/dbraw/zinc/78/17/74/848781774.db2.gz GSKGOVNXRRDTRE-BWZBUEFSSA-N 0 1 268.235 1.889 20 5 CDBDMN CC(C)(O)c1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839727418 848849108 /nfs/dbraw/zinc/84/91/08/848849108.db2.gz BXMUEZCFLQADAJ-VXGBXAGGSA-N 0 1 278.308 1.195 20 5 CDBDMN Cc1ccc(O[C@H](C)CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839693851 848939032 /nfs/dbraw/zinc/93/90/32/848939032.db2.gz WMYBAXZBTJEDGD-RAIGVLPGSA-N 0 1 278.308 1.544 20 5 CDBDMN C[C@H](CNC(=O)C1(N(C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC000887400835 848975641 /nfs/dbraw/zinc/97/56/41/848975641.db2.gz LAWYOXZRLGINCW-LLVKDONJSA-N 0 1 291.351 1.909 20 5 CDBDMN CC[C@]1(CO)CCCN1Cc1cccnc1[N+](=O)[O-] ZINC000886161982 849126871 /nfs/dbraw/zinc/12/68/71/849126871.db2.gz BTQVFXSFLMSIDK-CYBMUJFWSA-N 0 1 265.313 1.727 20 5 CDBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1COC[C@@H]1C ZINC000932493555 849478001 /nfs/dbraw/zinc/47/80/01/849478001.db2.gz HWIRIRCYJYZDKX-QWRGUYRKSA-N 0 1 293.323 1.466 20 5 CDBDMN O=C(OCCc1ccc2c(c1)CCO2)[C@@H]1CC1[N+](=O)[O-] ZINC000840670228 849738669 /nfs/dbraw/zinc/73/86/69/849738669.db2.gz DHBVKVDCQXVQMX-VXGBXAGGSA-N 0 1 277.276 1.372 20 5 CDBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](CF)C2)c1[N+](=O)[O-] ZINC000881667321 849824101 /nfs/dbraw/zinc/82/41/01/849824101.db2.gz IAMWIDZTCPUXKJ-ZETCQYMHSA-N 0 1 270.264 1.312 20 5 CDBDMN Nc1ccc(NS(=O)(=O)c2ccoc2)cc1[N+](=O)[O-] ZINC000795287261 850184031 /nfs/dbraw/zinc/18/40/31/850184031.db2.gz 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O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC2(CCO2)CC1 ZINC000619732017 350839595 /nfs/dbraw/zinc/83/95/95/350839595.db2.gz DNNLRPHAMOFIAW-UHFFFAOYSA-N 0 1 292.291 1.696 20 5 CDBDMN CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000036794691 363050761 /nfs/dbraw/zinc/05/07/61/363050761.db2.gz KLJRZZLNOPBJSH-VHSXEESVSA-N 0 1 265.313 1.770 20 5 CDBDMN O=[N+]([O-])c1ccc(SCCN2CCCOCC2)nc1 ZINC000413001051 363054568 /nfs/dbraw/zinc/05/45/68/363054568.db2.gz PCDRYKOQWOWMCR-UHFFFAOYSA-N 0 1 283.353 1.804 20 5 CDBDMN O=[N+]([O-])c1cnc2ccccc2c1NC[C@H]1COCCN1 ZINC000236411862 363158795 /nfs/dbraw/zinc/15/87/95/363158795.db2.gz PXPAUTIMRBQRNG-JTQLQIEISA-N 0 1 288.307 1.543 20 5 CDBDMN CCN1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000062351267 363186089 /nfs/dbraw/zinc/18/60/89/363186089.db2.gz CFDUEYZHNZMZAI-AWEZNQCLSA-N 0 1 279.340 1.266 20 5 CDBDMN Cc1cc(NC(=O)N[C@@H](C)c2nnc[nH]2)ccc1[N+](=O)[O-] ZINC000153673598 188097322 /nfs/dbraw/zinc/09/73/22/188097322.db2.gz ASTMPHDMRTYDNS-QMMMGPOBSA-N 0 1 290.283 1.904 20 5 CDBDMN C[C@H]1CC[C@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)O1 ZINC000457352071 366153384 /nfs/dbraw/zinc/15/33/84/366153384.db2.gz CNBWOKBWZFDUQE-QPUJVOFHSA-N 0 1 280.280 1.598 20 5 CDBDMN Cc1ccc(CN[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000034994442 355928805 /nfs/dbraw/zinc/92/88/05/355928805.db2.gz AWJQUYLPCHQJEA-NSHDSACASA-N 0 1 284.337 1.180 20 5 CDBDMN CCN1CCN(c2ncc(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000286204285 356231390 /nfs/dbraw/zinc/23/13/90/356231390.db2.gz BYNYHTSRCUQBOO-LLVKDONJSA-N 0 1 264.329 1.829 20 5 CDBDMN C[C@@H](CN(C)C)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000286460709 356434088 /nfs/dbraw/zinc/43/40/88/356434088.db2.gz PLRCTVZEUYFCIP-QMMMGPOBSA-N 0 1 291.311 1.606 20 5 CDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCOC2(CCC2)C1 ZINC000272677991 363554865 /nfs/dbraw/zinc/55/48/65/363554865.db2.gz MQJDXGWEPUBHIL-UHFFFAOYSA-N 0 1 292.291 1.696 20 5 CDBDMN CC(C)c1[nH]nc(C(=O)N2CCC(C)(O)CC2)c1[N+](=O)[O-] ZINC000269581508 357091703 /nfs/dbraw/zinc/09/17/03/357091703.db2.gz LBYUUNGDTFRRHT-UHFFFAOYSA-N 0 1 296.327 1.428 20 5 CDBDMN O=[N+]([O-])c1ccccc1N1CCN(Cc2c[nH]nn2)CC1 ZINC000284392979 357657605 /nfs/dbraw/zinc/65/76/05/357657605.db2.gz VUGKRTHFEISQSP-UHFFFAOYSA-N 0 1 288.311 1.035 20 5 CDBDMN C[C@@H](C(=O)[O-])[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000567742633 358727539 /nfs/dbraw/zinc/72/75/39/358727539.db2.gz NSFZCGOMIPJDLB-VIFPVBQESA-N 0 1 252.270 1.542 20 5 CDBDMN CC[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)CCN1C[C@@H](C)O ZINC000105790763 358986936 /nfs/dbraw/zinc/98/69/36/358986936.db2.gz WQTZKFIWHRWIFD-VXGBXAGGSA-N 0 1 294.355 1.271 20 5 CDBDMN CC(=O)c1cc([N+](=O)[O-])ccc1NCCc1nc[nH]n1 ZINC000287782890 359120682 /nfs/dbraw/zinc/12/06/82/359120682.db2.gz IQLOXEPRYCGWRT-UHFFFAOYSA-N 0 1 275.268 1.570 20 5 CDBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000339084910 359285194 /nfs/dbraw/zinc/28/51/94/359285194.db2.gz RXLXWTBYDKBION-BHYNMZESSA-N 0 1 278.308 1.503 20 5 CDBDMN CO[C@@H]1COC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000570208763 359292936 /nfs/dbraw/zinc/29/29/36/359292936.db2.gz ZUNSEMYNNZYKBA-VXGBXAGGSA-N 0 1 252.270 1.098 20 5 CDBDMN CN(Cc1ccon1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339004772 359268413 /nfs/dbraw/zinc/26/84/13/359268413.db2.gz XVEKVTVNWHFSHS-UHFFFAOYSA-N 0 1 263.253 1.920 20 5 CDBDMN O=C([O-])[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000164557409 237244016 /nfs/dbraw/zinc/24/40/16/237244016.db2.gz HNTMNQVHDGHNLL-LLVKDONJSA-N 0 1 294.307 1.770 20 5 CDBDMN O=[N+]([O-])c1cccc2c1CCN(C[C@H]1C[C@@H](O)C1)C2 ZINC000571990565 359704948 /nfs/dbraw/zinc/70/49/48/359704948.db2.gz RQJPMRRIPJVSRT-KLPPZKSPSA-N 0 1 262.309 1.724 20 5 CDBDMN COc1ccc(CN2C[C@@H](C)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000351794658 359835552 /nfs/dbraw/zinc/83/55/52/359835552.db2.gz FGKOJNBXVLNQLB-SKDRFNHKSA-N 0 1 266.297 1.416 20 5 CDBDMN COc1ccc(C[N@H+]2CC[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000051887782 359949560 /nfs/dbraw/zinc/94/95/60/359949560.db2.gz TWLOKDICSYTTJJ-NSHDSACASA-N 0 1 266.297 1.418 20 5 CDBDMN COc1ccc(CN2CC[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000051887782 359949563 /nfs/dbraw/zinc/94/95/63/359949563.db2.gz TWLOKDICSYTTJJ-NSHDSACASA-N 0 1 266.297 1.418 20 5 CDBDMN O=C([O-])[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000178904318 189153813 /nfs/dbraw/zinc/15/38/13/189153813.db2.gz IZVVYYPISPQNBB-JTQLQIEISA-N 0 1 280.280 1.380 20 5 CDBDMN CCc1[nH]nc(C(=O)N(CC)CC(C)C)c1[N+](=O)[O-] ZINC000179493466 189197607 /nfs/dbraw/zinc/19/76/07/189197607.db2.gz FPECUKBAAVVAGN-UHFFFAOYSA-N 0 1 268.317 1.998 20 5 CDBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H](c2ccsc2)O1 ZINC000370456072 361220246 /nfs/dbraw/zinc/22/02/46/361220246.db2.gz FDBSHDMYNALQEO-HJQYOEGKSA-N 0 1 296.348 1.702 20 5 CDBDMN Cc1nc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2N)n[nH]1 ZINC000286534230 239143442 /nfs/dbraw/zinc/14/34/42/239143442.db2.gz YSUHBKHZAWLHCN-LURJTMIESA-N 0 1 290.283 1.095 20 5 CDBDMN CNC(=O)CCN(C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000231789384 364090004 /nfs/dbraw/zinc/09/00/04/364090004.db2.gz GUDYHYDAPIUCSL-UHFFFAOYSA-N 0 1 269.276 1.302 20 5 CDBDMN CC[C@@H](C)NC(=O)CCNCc1ccccc1[N+](=O)[O-] ZINC000038013913 364237702 /nfs/dbraw/zinc/23/77/02/364237702.db2.gz OZSVZQIRVGUUQE-LLVKDONJSA-N 0 1 279.340 1.989 20 5 CDBDMN CCCc1[nH]nc(C(=O)N2CC(CF)C2)c1[N+](=O)[O-] ZINC000412522671 240257568 /nfs/dbraw/zinc/25/75/68/240257568.db2.gz VVFQLECZNCVKHC-UHFFFAOYSA-N 0 1 270.264 1.312 20 5 CDBDMN CO[C@](C)([C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-])C1CC1 ZINC000412593965 240288901 /nfs/dbraw/zinc/28/89/01/240288901.db2.gz MXHJBJQBXVVJMF-JVXZTZIISA-N 0 1 282.300 1.251 20 5 CDBDMN O=C1CCCN1[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000270966924 366949402 /nfs/dbraw/zinc/94/94/02/366949402.db2.gz VRHKHWBZTORJBG-CQSZACIVSA-N 0 1 289.335 1.792 20 5 CDBDMN CC(C)c1nnc([C@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])[nH]1 ZINC000271008573 366953573 /nfs/dbraw/zinc/95/35/73/366953573.db2.gz YZCZRAKGGTZJBT-LURJTMIESA-N 0 1 293.287 1.050 20 5 CDBDMN CC(C)c1nc([C@H](C)NC(=O)c2[nH]ncc2[N+](=O)[O-])n[nH]1 ZINC000271008573 366953579 /nfs/dbraw/zinc/95/35/79/366953579.db2.gz YZCZRAKGGTZJBT-LURJTMIESA-N 0 1 293.287 1.050 20 5 CDBDMN CC[C@H](C)N1CCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000295989324 370822620 /nfs/dbraw/zinc/82/26/20/370822620.db2.gz LVMWCUDQGOIHNN-JTQLQIEISA-N 0 1 279.344 1.614 20 5 CDBDMN O=C(NCCOCC(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000351905444 370858806 /nfs/dbraw/zinc/85/88/06/370858806.db2.gz IINXONWLEQCWRC-UHFFFAOYSA-N 0 1 290.222 1.312 20 5 CDBDMN COC[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000330462359 202855253 /nfs/dbraw/zinc/85/52/53/202855253.db2.gz YJHPUJLHQMERCU-MFKMUULPSA-N 0 1 296.323 1.536 20 5 CDBDMN CC1(C)CN(CCn2ccc([N+](=O)[O-])n2)[C@@H]1[C@@H]1CCCO1 ZINC000368073290 371507031 /nfs/dbraw/zinc/50/70/31/371507031.db2.gz KZUAHTBWFLRMDF-WCQYABFASA-N 0 1 294.355 1.681 20 5 CDBDMN Cn1cnc(-c2ccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2)n1 ZINC000368344599 373586866 /nfs/dbraw/zinc/58/68/66/373586866.db2.gz LZEGUXJRIVVPIA-GHMZBOCLSA-N 0 1 287.279 1.086 20 5 CDBDMN O=[N+]([O-])c1ccccc1S(=O)(=O)NCC(F)(F)F ZINC000298682956 373765807 /nfs/dbraw/zinc/76/58/07/373765807.db2.gz LUYCCLVWQBOEAS-UHFFFAOYSA-N 0 1 284.215 1.435 20 5 CDBDMN CC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421776269 374332990 /nfs/dbraw/zinc/33/29/90/374332990.db2.gz ZTMZCYPGNBWVAX-UHFFFAOYSA-N 0 1 279.340 1.893 20 5 CDBDMN O=C([O-])CC[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000424256905 374404903 /nfs/dbraw/zinc/40/49/03/374404903.db2.gz JSRSTYIFZLSTBY-LLVKDONJSA-N 0 1 296.327 1.511 20 5 CDBDMN O=C1C[C@@H](NCc2csc([N+](=O)[O-])c2)[C@H]2CCCCN12 ZINC000370287418 374390595 /nfs/dbraw/zinc/39/05/95/374390595.db2.gz GCZSTHGBIWQQKV-GHMZBOCLSA-N 0 1 295.364 1.899 20 5 CDBDMN O=[N+]([O-])c1ccc2ncnc(NCCc3nc[nH]n3)c2c1 ZINC000081590154 374527492 /nfs/dbraw/zinc/52/74/92/374527492.db2.gz YCKRVODDNQOSBX-UHFFFAOYSA-N 0 1 285.267 1.311 20 5 CDBDMN C[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000330571927 374865971 /nfs/dbraw/zinc/86/59/71/374865971.db2.gz DFQQCMJQDHVNAP-RYUDHWBXSA-N 0 1 291.351 1.688 20 5 CDBDMN Cc1n[nH]c(C(=O)N2CCN(CC(C)C)CC2)c1[N+](=O)[O-] ZINC000330520951 374860442 /nfs/dbraw/zinc/86/04/42/374860442.db2.gz LGEXBEJWQXHFIZ-UHFFFAOYSA-N 0 1 295.343 1.040 20 5 CDBDMN C[C@@H]1CC[S@@](=O)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000332215367 375017053 /nfs/dbraw/zinc/01/70/53/375017053.db2.gz IFYQYNNSAYIGJF-CFMSYZGJSA-N 0 1 298.364 1.643 20 5 CDBDMN C[C@H](NCc1cnn(C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284184760 375131687 /nfs/dbraw/zinc/13/16/87/375131687.db2.gz RDYBILKSXVAPSG-VIFPVBQESA-N 0 1 275.312 1.761 20 5 CDBDMN CC(C)CN1CCO[C@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000354524796 375721092 /nfs/dbraw/zinc/72/10/92/375721092.db2.gz CMTSIESBRMEMNC-GFCCVEGCSA-N 0 1 295.343 1.154 20 5 CDBDMN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1ncn[nH]1 ZINC000345031331 375726343 /nfs/dbraw/zinc/72/63/43/375726343.db2.gz AOLOGUCNEGZNPM-UHFFFAOYSA-N 0 1 281.659 1.296 20 5 CDBDMN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1nc[nH]n1 ZINC000345031331 375726347 /nfs/dbraw/zinc/72/63/47/375726347.db2.gz AOLOGUCNEGZNPM-UHFFFAOYSA-N 0 1 281.659 1.296 20 5 CDBDMN O=C1CCCN1CCNCc1ccccc1[N+](=O)[O-] ZINC000405412521 375910463 /nfs/dbraw/zinc/91/04/63/375910463.db2.gz XSPVIEZWTLPDOM-UHFFFAOYSA-N 0 1 263.297 1.307 20 5 CDBDMN C[C@@H](NC[C@H](C)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000358248955 375958245 /nfs/dbraw/zinc/95/82/45/375958245.db2.gz IQIJVDXEAHNOFK-VHSXEESVSA-N 0 1 286.353 1.679 20 5 CDBDMN C[C@@H]1C[C@@H]1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000032390685 375943248 /nfs/dbraw/zinc/94/32/48/375943248.db2.gz VFNVZBOBFVZANO-HTQZYQBOSA-N 0 1 274.280 1.857 20 5 CDBDMN O=[N+]([O-])c1cccc(CN2CCC[C@@H](OCCO)C2)c1 ZINC000172296689 377432121 /nfs/dbraw/zinc/43/21/21/377432121.db2.gz AOUXRIIYFGITPY-CQSZACIVSA-N 0 1 280.324 1.568 20 5 CDBDMN Cc1cc(N2CCN(CCO)CC2)ccc1[N+](=O)[O-] ZINC000040444199 378074794 /nfs/dbraw/zinc/07/47/94/378074794.db2.gz NDZKSLMDYZASTB-UHFFFAOYSA-N 0 1 265.313 1.018 20 5 CDBDMN COc1ccc(OCCN2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000173504744 378495491 /nfs/dbraw/zinc/49/54/91/378495491.db2.gz DQLJLPNILPUSMK-UHFFFAOYSA-N 0 1 295.339 1.230 20 5 CDBDMN C[C@@H]1CC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245937626 379364121 /nfs/dbraw/zinc/36/41/21/379364121.db2.gz ZSYHVHIYHXHQON-VGMNWLOBSA-N 0 1 266.301 1.872 20 5 CDBDMN CCO[C@@H]1COC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000449722689 250986596 /nfs/dbraw/zinc/98/65/96/250986596.db2.gz WBBSLWUSUOHTKE-CHWSQXEVSA-N 0 1 266.297 1.488 20 5 CDBDMN O=[N+]([O-])c1ccc(CN(C[C@@H]2COCCO2)C2CC2)cc1 ZINC000450651121 251390234 /nfs/dbraw/zinc/39/02/34/251390234.db2.gz RQQKQFFLWTWFEL-OAHLLOKOSA-N 0 1 292.335 1.975 20 5 CDBDMN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCN1CCC1 ZINC000492240961 253180851 /nfs/dbraw/zinc/18/08/51/253180851.db2.gz ZBXDNTSNJZBQJY-AATRIKPKSA-N 0 1 275.308 1.430 20 5 CDBDMN COCCOCCN(C)Cc1cccc([N+](=O)[O-])c1C ZINC000289031623 197219035 /nfs/dbraw/zinc/21/90/35/197219035.db2.gz OVIJHPKKKYUOLP-UHFFFAOYSA-N 0 1 282.340 1.998 20 5 CDBDMN C[C@@H](C(N)=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551348 390629928 /nfs/dbraw/zinc/62/99/28/390629928.db2.gz UKTFPVSGVHPRQU-JQWIXIFHSA-N 0 1 277.324 1.648 20 5 CDBDMN C[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])C(F)(F)F ZINC000358924695 390852934 /nfs/dbraw/zinc/85/29/34/390852934.db2.gz DHKQNOUBLFVKGC-SCSAIBSYSA-N 0 1 266.179 1.246 20 5 CDBDMN C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1nnc[nH]1 ZINC000176224486 533277979 /nfs/dbraw/zinc/27/79/79/533277979.db2.gz GPJQWMPYYUMIPC-ZCFIWIBFSA-N 0 1 295.686 1.857 20 5 CDBDMN COC[C@H](C)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088608102 391442853 /nfs/dbraw/zinc/44/28/53/391442853.db2.gz DCSUMUCBRBKZOH-JTQLQIEISA-N 0 1 250.298 1.988 20 5 CDBDMN Cc1[nH]nc(C(=O)N2CCC(F)(F)[C@H](C)C2)c1[N+](=O)[O-] ZINC000290910688 391567500 /nfs/dbraw/zinc/56/75/00/391567500.db2.gz LPRDBOCWVVMYTI-ZCFIWIBFSA-N 0 1 288.254 1.744 20 5 CDBDMN CCN(C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000442972409 392512046 /nfs/dbraw/zinc/51/20/46/392512046.db2.gz ZRWJUBCEBSNAGU-HZRUHFOJSA-N 0 1 289.335 1.818 20 5 CDBDMN C[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000269103144 132112703 /nfs/dbraw/zinc/11/27/03/132112703.db2.gz AKENITYUDCXWDW-IUCAKERBSA-N 0 1 280.280 1.550 20 5 CDBDMN O=[N+]([O-])c1cn(Cc2n[nH]c(C3CC3)n2)nc1C1CC1 ZINC000195046977 393049877 /nfs/dbraw/zinc/04/98/77/393049877.db2.gz SCKILWCYIJHWEL-UHFFFAOYSA-N 0 1 274.284 1.713 20 5 CDBDMN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000532247467 393069503 /nfs/dbraw/zinc/06/95/03/393069503.db2.gz NYZBIQJOZCAWNP-JTQLQIEISA-N 0 1 289.295 1.464 20 5 CDBDMN C[C@H](NC[C@H](O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000224438047 140174403 /nfs/dbraw/zinc/17/44/03/140174403.db2.gz FUQKFXSTJKVODL-XVKPBYJWSA-N 0 1 260.240 1.871 20 5 CDBDMN C[C@H](O)CN1CCN(Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000249529657 140295388 /nfs/dbraw/zinc/29/53/88/140295388.db2.gz ZVEBGXDEZJUREW-STQMWFEESA-N 0 1 293.367 1.482 20 5 CDBDMN Cc1cc(NCC(=O)N(C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000228460610 397708109 /nfs/dbraw/zinc/70/81/09/397708109.db2.gz JWHWILRFYKVGMA-UHFFFAOYSA-N 0 1 288.307 1.952 20 5 CDBDMN O=C(NCc1cnc[nH]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000093631665 147058785 /nfs/dbraw/zinc/05/87/85/147058785.db2.gz MGIYZRMYWZVDOH-UHFFFAOYSA-N 0 1 264.216 1.387 20 5 CDBDMN CCN1C[C@@H](C)N(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000346007134 153022737 /nfs/dbraw/zinc/02/27/37/153022737.db2.gz ZKKMJCARLWQBFF-DTWKUNHWSA-N 0 1 295.343 1.181 20 5 CDBDMN C[C@H]1CCN(C)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000354005506 156220090 /nfs/dbraw/zinc/22/00/90/156220090.db2.gz HAFALSKSKKVUMG-JTQLQIEISA-N 0 1 295.314 1.900 20 5 CDBDMN O=C(Nc1nncs1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356061685 157339010 /nfs/dbraw/zinc/33/90/10/157339010.db2.gz BNPGEEHXJBEQQG-UHFFFAOYSA-N 0 1 266.238 1.404 20 5 CDBDMN CCC[C@@H]1CNCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000359195282 158158241 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710480444 /nfs/dbraw/zinc/48/04/44/710480444.db2.gz UNHOSBBITCPAON-YRRQLQLVSA-N 0 1 262.309 1.960 20 5 CDBDMN O=C(N[C@@H](c1ccccn1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000928614411 710533727 /nfs/dbraw/zinc/53/37/27/710533727.db2.gz ZNVJYJIMPBOJFM-YUSALJHKSA-N 0 1 261.281 1.314 20 5 CDBDMN C[C@@H](C[N+](=O)[O-])OC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000814048098 710776545 /nfs/dbraw/zinc/77/65/45/710776545.db2.gz HVQFOJDAFQCRRG-QMMMGPOBSA-N 0 1 276.252 1.294 20 5 CDBDMN O=C(NCC[C@H]1CCc2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000839781126 711547457 /nfs/dbraw/zinc/54/74/57/711547457.db2.gz JACYMMXTMWAMSU-MRVWCRGKSA-N 0 1 274.320 1.888 20 5 CDBDMN Cc1noc(CN2CC[C@H]([C@@H]3CCCO3)C2)c1[N+](=O)[O-] ZINC000886815264 711588276 /nfs/dbraw/zinc/58/82/76/711588276.db2.gz AMRNDKZGWXKQLD-QWRGUYRKSA-N 0 1 281.312 1.892 20 5 CDBDMN CSCc1n[nH]c(CNCc2cccc([N+](=O)[O-])c2)n1 ZINC000886329042 711693527 /nfs/dbraw/zinc/69/35/27/711693527.db2.gz XEWONDCABNUUHQ-UHFFFAOYSA-N 0 1 293.352 1.866 20 5 CDBDMN CSCc1nnc(CNCc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000886329042 711693529 /nfs/dbraw/zinc/69/35/29/711693529.db2.gz XEWONDCABNUUHQ-UHFFFAOYSA-N 0 1 293.352 1.866 20 5 CDBDMN O=C(N[C@@H](CCO)C1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839716097 711753699 /nfs/dbraw/zinc/75/36/99/711753699.db2.gz ZGVFGNVQUHPYMQ-GRYCIOLGSA-N 0 1 270.329 1.099 20 5 CDBDMN Cc1nc([C@H](C)OC(=O)c2cccc([N+](=O)[O-])c2N)n[nH]1 ZINC000840288542 711769615 /nfs/dbraw/zinc/76/96/15/711769615.db2.gz NLHVYTMHRMAIIL-LURJTMIESA-N 0 1 291.267 1.522 20 5 CDBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000839723112 711782711 /nfs/dbraw/zinc/78/27/11/711782711.db2.gz PFNZBJPFLOLCNO-LZQZFOIKSA-N 0 1 252.314 1.689 20 5 CDBDMN Cc1nc(COC(=O)c2cc(F)ccc2[N+](=O)[O-])n[nH]1 ZINC000795355984 711784815 /nfs/dbraw/zinc/78/48/15/711784815.db2.gz QZAYEWUMQBCPFJ-UHFFFAOYSA-N 0 1 280.215 1.517 20 5 CDBDMN Cc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1N(C)C ZINC000839521119 711792264 /nfs/dbraw/zinc/79/22/64/711792264.db2.gz NFJCCRMKQJUICO-ZYHUDNBSSA-N 0 1 263.297 1.665 20 5 CDBDMN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841022230 711796413 /nfs/dbraw/zinc/79/64/13/711796413.db2.gz HUXSNABNUJVCGQ-SPGJFGJESA-N 0 1 287.178 1.477 20 5 CDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H](c2cccnc2)C1 ZINC000843636489 711805380 /nfs/dbraw/zinc/80/53/80/711805380.db2.gz LITWXKBAFGDZPM-QJPTWQEYSA-N 0 1 261.281 1.063 20 5 CDBDMN CSCCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839723884 711808852 /nfs/dbraw/zinc/80/88/52/711808852.db2.gz XHQNUCNMUYWLEH-NXEZZACHSA-N 0 1 260.359 1.691 20 5 CDBDMN CN(Cc1nnc[nH]1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783572137 711812587 /nfs/dbraw/zinc/81/25/87/711812587.db2.gz NFLFWRNJOFBTKB-UHFFFAOYSA-N 0 1 281.703 1.998 20 5 CDBDMN CC(=O)Nc1cc(Cl)ccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840325692 711817290 /nfs/dbraw/zinc/81/72/90/711817290.db2.gz LXTTXEGHNUEKJY-LDYMZIIASA-N 0 1 297.698 1.902 20 5 CDBDMN CCc1[nH]nc(C(=O)N2CCCSC[C@@H]2C)c1[N+](=O)[O-] ZINC000889914433 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C[C@](N)(C(=O)N[C@@H]1C=CCCC1)c1cccc([N+](=O)[O-])c1 ZINC001119056437 937692115 /nfs/dbraw/zinc/69/21/15/937692115.db2.gz QSAPRZYZLFYWBP-IUODEOHRSA-N 0 1 289.335 1.994 20 5 CDBDMN O=[N+]([O-])c1nc[nH]c1-c1nc(-c2cc(F)ccn2)no1 ZINC001212894020 934880852 /nfs/dbraw/zinc/88/08/52/934880852.db2.gz KMIDGORUGUIICT-UHFFFAOYSA-N 0 1 276.187 1.569 20 5 CDBDMN O=C(NCCNCc1ccccc1[N+](=O)[O-])C1CCC1 ZINC001122455946 937933118 /nfs/dbraw/zinc/93/31/18/937933118.db2.gz JCEJDKCNFXFSBQ-UHFFFAOYSA-N 0 1 277.324 1.601 20 5 CDBDMN CN1CC[C@H](Nc2cc(Cl)ncc2[N+](=O)[O-])C1 ZINC001156580906 938388653 /nfs/dbraw/zinc/38/86/53/938388653.db2.gz ZUXKSNODAUUJPC-ZETCQYMHSA-N 0 1 256.693 1.759 20 5 CDBDMN CN1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3F)C[C@H]21 ZINC001157266056 938471597 /nfs/dbraw/zinc/47/15/97/938471597.db2.gz NHWGVIKLTZQEDP-JOYOIKCWSA-N 0 1 280.303 1.659 20 5 CDBDMN CCO[C@H]1CCN(C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])C1 ZINC001157931604 938565370 /nfs/dbraw/zinc/56/53/70/938565370.db2.gz ANVAEIKRVNGPHL-QMMMGPOBSA-N 0 1 282.300 1.131 20 5 CDBDMN COc1ccc([N+](=O)[O-])nc1N[C@H]1CN2CCC1CC2 ZINC001163392687 939260975 /nfs/dbraw/zinc/26/09/75/939260975.db2.gz BCIHSNFOZMTTBI-JTQLQIEISA-N 0 1 278.312 1.505 20 5 CDBDMN Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1nccc(=O)[nH]1 ZINC001226326524 941985930 /nfs/dbraw/zinc/98/59/30/941985930.db2.gz LABBTEVCEVXZDK-SSDOTTSWSA-N 0 1 279.256 1.063 20 5 CDBDMN Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1nccc(=O)[nH]1 ZINC001226326529 941986207 /nfs/dbraw/zinc/98/62/07/941986207.db2.gz LABBTEVCEVXZDK-ZETCQYMHSA-N 0 1 279.256 1.063 20 5 CDBDMN O=c1nc2cc([N+](=O)[O-])ccc2c(O[C@@H]2COC[C@H]2F)[nH]1 ZINC001228240563 942283743 /nfs/dbraw/zinc/28/37/43/942283743.db2.gz PNUUEKDIQFGZGW-PSASIEDQSA-N 0 1 295.226 1.359 20 5 CDBDMN O=c1ncc(Cl)c(O[C@@H](C[N+](=O)[O-])C2CC2)[nH]1 ZINC001228482125 942325240 /nfs/dbraw/zinc/32/52/40/942325240.db2.gz KJRGBXLJOMTZQM-ZETCQYMHSA-N 0 1 259.649 1.270 20 5 CDBDMN Cc1nc(O[C@@H]2CCn3ccnc32)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229376077 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279.275 1.483 20 5 CDBDMN Cc1[nH]nc(C(=O)N2CCC([C@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000593829394 342842592 /nfs/dbraw/zinc/84/25/92/342842592.db2.gz FEGIGQFPCBJWSH-MRVPVSSYSA-N 0 1 296.327 1.107 20 5 CDBDMN COc1cc([N+](=O)[O-])ccc1CN(C[C@H](C)O)C1CC1 ZINC000594061970 342869959 /nfs/dbraw/zinc/86/99/59/342869959.db2.gz FCOLTGOLQVINKD-JTQLQIEISA-N 0 1 280.324 1.949 20 5 CDBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H](C)CC(N)=O ZINC000595021112 342996285 /nfs/dbraw/zinc/99/62/85/342996285.db2.gz PRNLUOICUOFMFS-DTWKUNHWSA-N 0 1 281.312 1.518 20 5 CDBDMN C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000595279063 343022184 /nfs/dbraw/zinc/02/21/84/343022184.db2.gz DVBCWYIXSSXBBZ-PHIMTYICSA-N 0 1 264.281 1.890 20 5 CDBDMN CN(Cc1nnc[nH]1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595341549 343042892 /nfs/dbraw/zinc/04/28/92/343042892.db2.gz CKJNUWZFHCMJTE-UHFFFAOYSA-N 0 1 265.248 1.484 20 5 CDBDMN CNC(=O)[C@@H](C)CN(C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595343824 343043688 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O=[N+]([O-])c1cc(F)ccc1CN1C[C@@H]2COC[C@@H]2C1 ZINC000601971327 344299985 /nfs/dbraw/zinc/29/99/85/344299985.db2.gz AHOLIJNIEKLCIZ-PHIMTYICSA-N 0 1 266.272 1.812 20 5 CDBDMN Cc1cc(C(=O)N2CCNC[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000602528497 344455364 /nfs/dbraw/zinc/45/53/64/344455364.db2.gz NIPAJDLATYTMQL-AWEZNQCLSA-N 0 1 291.351 1.973 20 5 CDBDMN O=[N+]([O-])c1ccc(CCNCc2nnc3n2CCC3)cc1 ZINC000602511610 344458901 /nfs/dbraw/zinc/45/89/01/344458901.db2.gz PCFYQNQPARJBRV-UHFFFAOYSA-N 0 1 287.323 1.465 20 5 CDBDMN Cc1nc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000293156765 362534060 /nfs/dbraw/zinc/53/40/60/362534060.db2.gz MSFXBWDACYWYSH-MRVPVSSYSA-N 0 1 261.285 1.872 20 5 CDBDMN CCNC(=O)[C@@H](NCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000293205600 362540304 /nfs/dbraw/zinc/54/03/04/362540304.db2.gz IZHPBXQDGDUFJJ-ZDUSSCGKSA-N 0 1 279.340 1.845 20 5 CDBDMN O=C(Oc1ccc(N2CCOC2=O)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000052339987 345262314 /nfs/dbraw/zinc/26/23/14/345262314.db2.gz 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FZCODLHMGJDDEN-UHFFFAOYSA-N 0 1 277.284 1.224 20 5 CDBDMN Cc1c([C@H](C)NCCS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000178135708 189092486 /nfs/dbraw/zinc/09/24/86/189092486.db2.gz POGPTLYUDDEEHF-JTQLQIEISA-N 0 1 286.353 1.598 20 5 CDBDMN Cc1nn(C)c(NCc2cn[nH]c2C)c1[N+](=O)[O-] ZINC000038011922 364141973 /nfs/dbraw/zinc/14/19/73/364141973.db2.gz ZBQZCGFDZFFXAE-UHFFFAOYSA-N 0 1 250.262 1.280 20 5 CDBDMN CSc1nsc(NC(=O)c2c[nH]nc2[N+](=O)[O-])n1 ZINC000582432747 364088005 /nfs/dbraw/zinc/08/80/05/364088005.db2.gz SCKBTJDEZZVQDS-UHFFFAOYSA-N 0 1 286.298 1.144 20 5 CDBDMN Cc1c(CNC[C@@H](O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000231885836 364997643 /nfs/dbraw/zinc/99/76/43/364997643.db2.gz JCRUCHYRFRNLLY-SNVBAGLBSA-N 0 1 278.230 1.916 20 5 CDBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)[C@@H]1COC[C@H]1O ZINC000348636916 367598549 /nfs/dbraw/zinc/59/85/49/367598549.db2.gz SBNJVKNERPLBRY-JDBPXVJJSA-N 0 1 292.335 1.690 20 5 CDBDMN CCc1[nH]nc(C(=O)N(CC)C[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000171677807 368348569 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CC(C)(C)[C@H](CCO)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274812061 374683776 /nfs/dbraw/zinc/68/37/76/374683776.db2.gz OZVBONHXCLJCLT-LBPRGKRZSA-N 0 1 296.323 1.827 20 5 CDBDMN C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C)CN1C ZINC000330571929 374866941 /nfs/dbraw/zinc/86/69/41/374866941.db2.gz DFQQCMJQDHVNAP-VXGBXAGGSA-N 0 1 291.351 1.688 20 5 CDBDMN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CC(C)(C)OC1(C)C ZINC000331302288 374925025 /nfs/dbraw/zinc/92/50/25/374925025.db2.gz SEAVTYVFUSJWIQ-JTQLQIEISA-N 0 1 282.344 1.764 20 5 CDBDMN CC(C)NC(=O)CCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332655853 375041362 /nfs/dbraw/zinc/04/13/62/375041362.db2.gz AGXLHHGDIHYYDN-UHFFFAOYSA-N 0 1 292.339 1.263 20 5 CDBDMN CC1(C)C(CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1(C)C ZINC000280633766 375008407 /nfs/dbraw/zinc/00/84/07/375008407.db2.gz SRPLUHRGORTRGV-UHFFFAOYSA-N 0 1 266.301 1.730 20 5 CDBDMN CCN(CCOCCO)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000282237436 375072655 /nfs/dbraw/zinc/07/26/55/375072655.db2.gz 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CPJGKXBEJABHOB-SSDOTTSWSA-N 0 1 276.252 1.939 20 5 CDBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@@H](CF)C2)c1[N+](=O)[O-] ZINC000881672178 712225967 /nfs/dbraw/zinc/22/59/67/712225967.db2.gz VXQWQJFGQSRVSM-QMMMGPOBSA-N 0 1 284.291 1.873 20 5 CDBDMN Cc1nn(CN2CC[C@@H]([C@H]3CCCO3)C2)c(C)c1[N+](=O)[O-] ZINC000884482450 712260311 /nfs/dbraw/zinc/26/03/11/712260311.db2.gz BJWTWJWOHIMMFN-CHWSQXEVSA-N 0 1 294.355 1.867 20 5 CDBDMN Cc1cccc(CN2CCN(CC[N+](=O)[O-])CC2)c1 ZINC000791054664 712321416 /nfs/dbraw/zinc/32/14/16/712321416.db2.gz XLEWCXXWTLZPES-UHFFFAOYSA-N 0 1 263.341 1.389 20 5 CDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1[C@@H]1CCCCC1=O ZINC000840389256 712538348 /nfs/dbraw/zinc/53/83/48/712538348.db2.gz NJMZJJRJZOLBNG-IRCOFANPSA-N 0 1 280.324 1.402 20 5 CDBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])C1(O)CCC1 ZINC000837459389 712704601 /nfs/dbraw/zinc/70/46/01/712704601.db2.gz OFGFYNZOQGTVJT-UHFFFAOYSA-N 0 1 267.237 1.259 20 5 CDBDMN COc1c(O)ccc(CN2CC[C@@H](C)[C@@H]2CO)c1[N+](=O)[O-] ZINC000893907007 712748385 /nfs/dbraw/zinc/74/83/85/712748385.db2.gz GIGUXBPQZPTNKV-KOLCDFICSA-N 0 1 296.323 1.512 20 5 CDBDMN CO[C@@H]1CCOC[C@H]1NCc1cccc([N+](=O)[O-])c1C ZINC000724880197 712757883 /nfs/dbraw/zinc/75/78/83/712757883.db2.gz MFZNPUBQMHHBCV-TZMCWYRMSA-N 0 1 280.324 1.797 20 5 CDBDMN COc1nc(N2C[C@@H](C)N(C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001164635697 719169717 /nfs/dbraw/zinc/16/97/17/719169717.db2.gz LGVHDMBTJXGVLT-ZJUUUORDSA-N 0 1 280.328 1.527 20 5 CDBDMN Cc1ccnc(N2C[C@H](C)N(C)C[C@H]2C)c1[N+](=O)[O-] ZINC001164635776 719171290 /nfs/dbraw/zinc/17/12/90/719171290.db2.gz LSBNGKCCAYIVHP-WDEREUQCSA-N 0 1 264.329 1.827 20 5 CDBDMN C[C@@H](CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)[NH+](C)C ZINC001609114220 1164775327 /nfs/dbraw/zinc/77/53/27/1164775327.db2.gz ZZPFSFMSRCOQQM-QMMMGPOBSA-N 0 1 291.315 1.137 20 5 CDBDMN C[C@@H](CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)[NH+](C)C ZINC001609114220 1164775332 /nfs/dbraw/zinc/77/53/32/1164775332.db2.gz ZZPFSFMSRCOQQM-QMMMGPOBSA-N 0 1 291.315 1.137 20 5 CDBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCC(C)=O)c1F ZINC001173176554 912281049 /nfs/dbraw/zinc/28/10/49/912281049.db2.gz HXATUHVZIYFCTC-MRVPVSSYSA-N 0 1 284.287 1.852 20 5 CDBDMN CC(=O)NC[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000842317042 909706845 /nfs/dbraw/zinc/70/68/45/909706845.db2.gz PMWHJYRGLMRYPM-UPJWGTAASA-N 0 1 292.291 1.072 20 5 CDBDMN O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1C[C@@H](O)[C@@H](F)C1)CC2 ZINC001172904762 912039856 /nfs/dbraw/zinc/03/98/56/912039856.db2.gz AJAVQNMQCWZEJQ-AEGPPILISA-N 0 1 294.326 1.857 20 5 CDBDMN COC(=O)c1onc(C)c1Nc1ccc([N+](=O)[O-])nc1 ZINC001203569052 918503748 /nfs/dbraw/zinc/50/37/48/918503748.db2.gz PJBDSWILZQOYGV-UHFFFAOYSA-N 0 1 278.224 1.816 20 5 CDBDMN O=C(NCc1cc(-c2ccccc2)on1)[C@@H]1CC1[N+](=O)[O-] ZINC000839623444 936917161 /nfs/dbraw/zinc/91/71/61/936917161.db2.gz BNVCEGFKWVYDOL-VXGBXAGGSA-N 0 1 287.275 1.623 20 5 CDBDMN CC(C)C[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839703162 936920577 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O=C(OCCOC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000840673223 936956695 /nfs/dbraw/zinc/95/66/95/936956695.db2.gz UPYGYBCRYFOCDQ-GHMZBOCLSA-N 0 1 279.248 1.052 20 5 CDBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ncccc1F ZINC000841207771 936983429 /nfs/dbraw/zinc/98/34/29/936983429.db2.gz FUOCKWIWTHYBKS-ZXFLCMHBSA-N 0 1 254.217 1.490 20 5 CDBDMN O=C(Nc1c2c(ccc1Cl)OCC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841214658 936984449 /nfs/dbraw/zinc/98/44/49/936984449.db2.gz QJFZTNZFQVHUAL-VXNVDRBHSA-N 0 1 282.683 1.879 20 5 CDBDMN O=C([O-])C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000851707091 927605875 /nfs/dbraw/zinc/60/58/75/927605875.db2.gz RUMDVJVHBUGUNW-ZDUSSCGKSA-N 0 1 294.307 1.567 20 5 CDBDMN CN(Cc1nnc2ccccn21)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011838 927617571 /nfs/dbraw/zinc/61/75/71/927617571.db2.gz MRGSOZWMIOOUFA-VXGBXAGGSA-N 0 1 289.339 1.607 20 5 CDBDMN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCc3nc(Cl)ncc3C2)C1 ZINC001169038447 927650912 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539114287 /nfs/dbraw/zinc/11/42/87/539114287.db2.gz FYAYEFIXHDHCKI-UHFFFAOYSA-N 0 1 298.251 1.042 20 5 CDBDMN CC(C)c1[nH]nc(C(=O)N2CC(F)(F)C2)c1[N+](=O)[O-] ZINC000611906609 346905012 /nfs/dbraw/zinc/90/50/12/346905012.db2.gz GFPKHNWUUHFAIB-UHFFFAOYSA-N 0 1 274.227 1.532 20 5 CDBDMN COC[C@H](O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595038117 342998018 /nfs/dbraw/zinc/99/80/18/342998018.db2.gz HDWHOUVRLQEBKO-MWLCHTKSSA-N 0 1 284.312 1.261 20 5 CDBDMN COC[C@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595038116 342998030 /nfs/dbraw/zinc/99/80/30/342998030.db2.gz HDWHOUVRLQEBKO-GXSJLCMTSA-N 0 1 284.312 1.261 20 5 CDBDMN Cc1noc(CN2CC[C@@H](c3nccn3C)C2)c1[N+](=O)[O-] ZINC000595394647 343047083 /nfs/dbraw/zinc/04/70/83/343047083.db2.gz YHWRMKQZKDMXIU-SNVBAGLBSA-N 0 1 291.311 1.614 20 5 CDBDMN CC[C@@H]1[C@H](CO)CCN1Cc1onc(C)c1[N+](=O)[O-] ZINC000595524775 343088919 /nfs/dbraw/zinc/08/89/19/343088919.db2.gz MPZRDIBATVBOBN-VHSXEESVSA-N 0 1 269.301 1.484 20 5 CDBDMN COc1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])c(C)c1 ZINC000535018020 282222740 /nfs/dbraw/zinc/22/27/40/282222740.db2.gz IGZNBVDIGSXMQK-UHFFFAOYSA-N 0 1 290.279 1.565 20 5 CDBDMN NC(=O)C[C@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000588977539 342446316 /nfs/dbraw/zinc/44/63/16/342446316.db2.gz PZFXHVQVBUPHHW-SECBINFHSA-N 0 1 281.287 1.431 20 5 CDBDMN CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000178771635 529839131 /nfs/dbraw/zinc/83/91/31/529839131.db2.gz QJZXWRNADQOXGQ-NSHDSACASA-N 0 1 293.323 1.502 20 5 CDBDMN C[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000598644835 343854962 /nfs/dbraw/zinc/85/49/62/343854962.db2.gz AQMURWWMHJIWRR-CHWSQXEVSA-N 0 1 294.351 1.924 20 5 CDBDMN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@H](C)N1 ZINC000598914371 343919569 /nfs/dbraw/zinc/91/95/69/343919569.db2.gz BPAIMYUQGHFYQM-DTORHVGOSA-N 0 1 296.302 1.948 20 5 CDBDMN CN(CCOc1ccc([N+](=O)[O-])cc1)Cc1cn[nH]c1 ZINC000085825667 344161432 /nfs/dbraw/zinc/16/14/32/344161432.db2.gz MJLRIZCKJMYECB-UHFFFAOYSA-N 0 1 276.296 1.829 20 5 CDBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCNC[C@@H]1C(C)C ZINC000602531680 344456124 /nfs/dbraw/zinc/45/61/24/344456124.db2.gz WOSQBRKOKLUKLR-CQSZACIVSA-N 0 1 291.351 1.973 20 5 CDBDMN CSc1ccc(CNCCn2cc([N+](=O)[O-])cn2)o1 ZINC000603428428 344802501 /nfs/dbraw/zinc/80/25/01/344802501.db2.gz SEJPRKXZJMLFIB-UHFFFAOYSA-N 0 1 282.325 1.896 20 5 CDBDMN O=C(N[C@H](CCO)C1CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000127334133 187297901 /nfs/dbraw/zinc/29/79/01/187297901.db2.gz DLGMQYDJQMTLLJ-SNVBAGLBSA-N 0 1 296.327 1.379 20 5 CDBDMN C[NH+]1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000211856120 345776833 /nfs/dbraw/zinc/77/68/33/345776833.db2.gz PVBDSHCJLISPJU-UHFFFAOYSA-N 0 1 265.269 1.045 20 5 CDBDMN Cc1cc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000610005618 346057081 /nfs/dbraw/zinc/05/70/81/346057081.db2.gz ZWVIBGBVERGSFN-UHFFFAOYSA-N 0 1 296.308 1.105 20 5 CDBDMN C[C@@H](CNC/C=C/c1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000539529371 282460877 /nfs/dbraw/zinc/46/08/77/282460877.db2.gz OXPNSVPEMOHYAX-ZRQQLDRUSA-N 0 1 298.364 1.631 20 5 CDBDMN O=[N+]([O-])c1cccc(N2CCN([C@@H]3CCCOC3)CC2)c1 ZINC000610569992 346315225 /nfs/dbraw/zinc/31/52/25/346315225.db2.gz LUNVAJJHSKIBBV-OAHLLOKOSA-N 0 1 291.351 1.896 20 5 CDBDMN CCN1CCN(c2ccc([N+](=O)[O-])c(C)n2)C[C@@H]1C ZINC000611084788 346604180 /nfs/dbraw/zinc/60/41/80/346604180.db2.gz TWRSWZYAHOPCCS-JTQLQIEISA-N 0 1 264.329 1.829 20 5 CDBDMN Cc1nc(N2CCN(C)[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000611299031 346740717 /nfs/dbraw/zinc/74/07/17/346740717.db2.gz JDXUSGOKBSAWOM-GHMZBOCLSA-N 0 1 264.329 1.827 20 5 CDBDMN C[C@H]1COCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000068102052 347560570 /nfs/dbraw/zinc/56/05/70/347560570.db2.gz BQFFHWWPDRRQTM-QMMMGPOBSA-N 0 1 290.279 1.332 20 5 CDBDMN CC[C@H]1CN(Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000270822781 190828600 /nfs/dbraw/zinc/82/86/00/190828600.db2.gz BLBVUJNPLWMOHR-AAEUAGOBSA-N 0 1 280.324 1.806 20 5 CDBDMN O=C(N[C@@H]1C[C@H]2OCCC[C@@H]12)c1cc(O)cc([N+](=O)[O-])c1 ZINC000615295207 348425500 /nfs/dbraw/zinc/42/55/00/348425500.db2.gz JSWVKQWZANNNGH-YNEHKIRRSA-N 0 1 292.291 1.598 20 5 CDBDMN CC1(C)COCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000619871757 350867309 /nfs/dbraw/zinc/86/73/09/350867309.db2.gz WSEPCGYBZBUKSU-UHFFFAOYSA-N 0 1 290.279 1.680 20 5 CDBDMN O=C([O-])[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000062134255 363013997 /nfs/dbraw/zinc/01/39/97/363013997.db2.gz GZEIATKOZFBZFN-SNVBAGLBSA-N 0 1 250.254 1.501 20 5 CDBDMN CN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@H]1CCCN(C)C1 ZINC000157350167 188311766 /nfs/dbraw/zinc/31/17/66/188311766.db2.gz WZTVUKGKBMRXDO-JTQLQIEISA-N 0 1 292.339 1.343 20 5 CDBDMN CCCCc1nnc(NC(=O)c2n[nH]cc2[N+](=O)[O-])s1 ZINC000159610395 188433946 /nfs/dbraw/zinc/43/39/46/188433946.db2.gz NNOXZYYANHJKKR-UHFFFAOYSA-N 0 1 296.312 1.764 20 5 CDBDMN CC(C)(CC(N)=O)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000227060297 356092798 /nfs/dbraw/zinc/09/27/98/356092798.db2.gz HRYKADKHLJBRCW-UHFFFAOYSA-N 0 1 296.283 1.247 20 5 CDBDMN Cc1[nH]ncc1CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000037990047 356600174 /nfs/dbraw/zinc/60/01/74/356600174.db2.gz FEFMOJNFDDPVMK-UHFFFAOYSA-N 0 1 274.280 1.865 20 5 CDBDMN Cn1c(-c2nc(C3(N)CCC3)no2)ccc1[N+](=O)[O-] ZINC000261934643 357343340 /nfs/dbraw/zinc/34/33/40/357343340.db2.gz LYGGYONXWVIZQF-UHFFFAOYSA-N 0 1 263.257 1.321 20 5 CDBDMN CO[C@H]1COC[C@@H]1N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294418609 199032608 /nfs/dbraw/zinc/03/26/08/199032608.db2.gz UFBXUAQSMDPGKN-QWRKXWFKSA-N 0 1 281.312 1.241 20 5 CDBDMN Cc1[nH]nc(C(=O)N2CCO[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000408143331 358180852 /nfs/dbraw/zinc/18/08/52/358180852.db2.gz USONPBMRWHFNBF-VIFPVBQESA-N 0 1 282.300 1.123 20 5 CDBDMN CO[C@@H](C)CS(=O)(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000193110368 358265858 /nfs/dbraw/zinc/26/58/58/358265858.db2.gz IXQCBNRBSZGDIC-ZETCQYMHSA-N 0 1 292.288 1.511 20 5 CDBDMN Cc1nc([C@@H](C)NC(=O)Nc2ccncc2[N+](=O)[O-])n[nH]1 ZINC000287232096 358328843 /nfs/dbraw/zinc/32/88/43/358328843.db2.gz WDIPNEBROXJPDP-ZCFIWIBFSA-N 0 1 291.271 1.299 20 5 CDBDMN COc1ccc([N+](=O)[O-])c(C(=O)NCc2cn[nH]c2C)c1 ZINC000051381054 358693420 /nfs/dbraw/zinc/69/34/20/358693420.db2.gz RFDXYHZUVUGYTL-UHFFFAOYSA-N 0 1 290.279 1.565 20 5 CDBDMN C[C@H]1CC[N@@H+](CCNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000541729900 358755656 /nfs/dbraw/zinc/75/56/56/358755656.db2.gz PQRYYLHLACWMMX-JTQLQIEISA-N 0 1 293.323 1.372 20 5 CDBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CS(=O)(=O)C[C@@H]1C ZINC000342411653 359047647 /nfs/dbraw/zinc/04/76/47/359047647.db2.gz CZBFWIYQTAJJEN-GWCFXTLKSA-N 0 1 298.364 1.426 20 5 CDBDMN Cc1ccc([N+](=O)[O-])c(NCCN2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000450790465 359006341 /nfs/dbraw/zinc/00/63/41/359006341.db2.gz KTUDOTHDLJGKDH-TXEJJXNPSA-N 0 1 292.339 1.573 20 5 CDBDMN Nc1ccc(NCCN2CC=CCC2)c([N+](=O)[O-])c1 ZINC000287617664 359090754 /nfs/dbraw/zinc/09/07/54/359090754.db2.gz GLLSSWSXESVCEG-UHFFFAOYSA-N 0 1 262.313 1.851 20 5 CDBDMN O=[N+]([O-])c1cccc(CNc2ncnc3[nH]cnc32)c1 ZINC000049389873 359303393 /nfs/dbraw/zinc/30/33/93/359303393.db2.gz XRBLGYUGFSEASE-UHFFFAOYSA-N 0 1 270.252 1.873 20 5 CDBDMN C[C@H](N[C@@H]1CCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000050394674 359439807 /nfs/dbraw/zinc/43/98/07/359439807.db2.gz XALOKMJUUDCNCG-JOYOIKCWSA-N 0 1 263.297 1.524 20 5 CDBDMN Nc1cc(N)nc(SCc2cccc([N+](=O)[O-])c2)n1 ZINC000029427078 359603995 /nfs/dbraw/zinc/60/39/95/359603995.db2.gz FNNHXEDAOJJUHG-UHFFFAOYSA-N 0 1 277.309 1.842 20 5 CDBDMN CC(C)c1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c[nH]2)n[nH]1 ZINC000342744652 360054713 /nfs/dbraw/zinc/05/47/13/360054713.db2.gz MXYDSPNWKOVKOC-SSDOTTSWSA-N 0 1 292.299 1.655 20 5 CDBDMN C[C@H](C(=O)NCc1cnc[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000235429023 360110619 /nfs/dbraw/zinc/11/06/19/360110619.db2.gz WHJODCANTGPHDG-VIFPVBQESA-N 0 1 274.280 1.738 20 5 CDBDMN CC(C)N(CCO)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000177972153 189082465 /nfs/dbraw/zinc/08/24/65/189082465.db2.gz WILCBDVRRAOITL-UHFFFAOYSA-N 0 1 296.323 1.664 20 5 CDBDMN O=C(CSc1c[nH]nn1)Nc1ccccc1[N+](=O)[O-] ZINC000177370929 238294009 /nfs/dbraw/zinc/29/40/09/238294009.db2.gz XGDQACWCDNZCID-UHFFFAOYSA-N 0 1 279.281 1.444 20 5 CDBDMN C[C@@H]1CN(c2ncc([N+](=O)[O-])s2)CCN(C2CC2)C1 ZINC000294891601 361609277 /nfs/dbraw/zinc/60/92/77/361609277.db2.gz HCGTXIZASVIYFW-VIFPVBQESA-N 0 1 282.369 1.972 20 5 CDBDMN C[C@@H]1CSCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000174870917 364586278 /nfs/dbraw/zinc/58/62/78/364586278.db2.gz LZSXVRPIFKFMQH-SECBINFHSA-N 0 1 256.331 1.229 20 5 CDBDMN Cc1c(CNCc2cccc([N+](=O)[O-])c2)cnn1C ZINC000093650240 364886214 /nfs/dbraw/zinc/88/62/14/364886214.db2.gz XPZFZJZCWFJGCT-UHFFFAOYSA-N 0 1 260.297 1.927 20 5 CDBDMN CC(C)c1[nH]nc(C(=O)N2CC(C(C)(C)O)C2)c1[N+](=O)[O-] ZINC000275458492 193045651 /nfs/dbraw/zinc/04/56/51/193045651.db2.gz DEFBORUFHSASLJ-UHFFFAOYSA-N 0 1 296.327 1.284 20 5 CDBDMN CCCc1[nH]nc(C(=O)N2CCC=C(F)C2)c1[N+](=O)[O-] ZINC000272134975 367146814 /nfs/dbraw/zinc/14/68/14/367146814.db2.gz SSXRMOIFQJUGST-UHFFFAOYSA-N 0 1 282.275 1.970 20 5 CDBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000272219997 367498912 /nfs/dbraw/zinc/49/89/12/367498912.db2.gz KFBGRMIHVPAJIQ-CBAPKCEASA-N 0 1 268.273 1.005 20 5 CDBDMN C[C@H](NC(=O)N1CCN[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000417128050 242329736 /nfs/dbraw/zinc/32/97/36/242329736.db2.gz HOTCHTGUSLDEGM-QWRGUYRKSA-N 0 1 292.339 1.659 20 5 CDBDMN O=C(NC[C@H]1CCOC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272541366 367750731 /nfs/dbraw/zinc/75/07/31/367750731.db2.gz JPTGBJCCTUYHIP-MRVPVSSYSA-N 0 1 266.253 1.067 20 5 CDBDMN CN(Cc1ccc([N+](=O)[O-])c(F)c1)CC(C)(CO)CO ZINC000276279574 193268996 /nfs/dbraw/zinc/26/89/96/193268996.db2.gz FMOWRTUPENZNDH-UHFFFAOYSA-N 0 1 286.303 1.157 20 5 CDBDMN CC1(C)CC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000352151861 373724323 /nfs/dbraw/zinc/72/43/23/373724323.db2.gz WIKKRVMZTDGGFP-SSDOTTSWSA-N 0 1 252.274 1.626 20 5 CDBDMN COC(=O)c1cnc(N[C@@H](C)c2nnc[nH]2)c([N+](=O)[O-])c1 ZINC000276836128 374752206 /nfs/dbraw/zinc/75/22/06/374752206.db2.gz VUVPHRGPAXGTEI-LURJTMIESA-N 0 1 292.255 1.068 20 5 CDBDMN CC[C@@H](CO)[N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000449378778 374803824 /nfs/dbraw/zinc/80/38/24/374803824.db2.gz XWJTXZHSSIFISP-JTQLQIEISA-N 0 1 254.286 1.503 20 5 CDBDMN CCC(=O)[C@@H]1CCCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000331040769 374882101 /nfs/dbraw/zinc/88/21/01/374882101.db2.gz DCCLONRNEBXVAL-VIFPVBQESA-N 0 1 294.311 1.600 20 5 CDBDMN CO[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1OC ZINC000330434298 374853151 /nfs/dbraw/zinc/85/31/51/374853151.db2.gz AAZPPWGCUAIXKA-BETUJISGSA-N 0 1 282.296 1.146 20 5 CDBDMN CC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C1CCOCC1 ZINC000330547453 374862432 /nfs/dbraw/zinc/86/24/32/374862432.db2.gz ZSEMZINTKUDKQM-VIFPVBQESA-N 0 1 282.300 1.253 20 5 CDBDMN CC1(C)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@@H]1O ZINC000279445737 374904587 /nfs/dbraw/zinc/90/45/87/374904587.db2.gz VHFKBTMPPHBVBP-NSHDSACASA-N 0 1 280.280 1.143 20 5 CDBDMN O=C(NC1(c2ccccc2F)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000161932377 375223474 /nfs/dbraw/zinc/22/34/74/375223474.db2.gz IBIVKJJHIVESMM-UHFFFAOYSA-N 0 1 290.254 1.876 20 5 CDBDMN CCCc1[nH]nc(C(=O)N(C)[C@@H]2CCSC2)c1[N+](=O)[O-] ZINC000162600518 375389526 /nfs/dbraw/zinc/38/95/26/375389526.db2.gz VYZHEDUWEJNKHF-MRVPVSSYSA-N 0 1 298.368 1.848 20 5 CDBDMN CCc1[nH]nc(C(=O)N2C[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000294008646 375623789 /nfs/dbraw/zinc/62/37/89/375623789.db2.gz INALXMPABWXKFL-NKWVEPMBSA-N 0 1 252.274 1.361 20 5 CDBDMN Cc1[nH]nc(C(=O)N(C)[C@@H]2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000430448527 247622811 /nfs/dbraw/zinc/62/28/11/247622811.db2.gz HWLAQMDODABPOD-VXNVDRBHSA-N 0 1 266.301 1.887 20 5 CDBDMN CCCCN(C)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000171398187 376571426 /nfs/dbraw/zinc/57/14/26/376571426.db2.gz PIRYKINIUQONOL-UHFFFAOYSA-N 0 1 254.290 1.752 20 5 CDBDMN O=[N+]([O-])c1ccccc1CN1CCC[C@H](OCCO)C1 ZINC000172295124 377432160 /nfs/dbraw/zinc/43/21/60/377432160.db2.gz GGYPZFZBLHUCAK-ZDUSSCGKSA-N 0 1 280.324 1.568 20 5 CDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H](c2cccc(F)c2)C1 ZINC000369010143 377692396 /nfs/dbraw/zinc/69/23/96/377692396.db2.gz MSXOHBJJMVJAOJ-CYZMBNFOSA-N 0 1 278.283 1.807 20 5 CDBDMN CC[C@H]1C(=O)NCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093049580 378027884 /nfs/dbraw/zinc/02/78/84/378027884.db2.gz CAPJWXOWHFFXML-NSHDSACASA-N 0 1 279.296 1.011 20 5 CDBDMN Cc1cc(NCc2n[nH]c(C3CC3)n2)ncc1[N+](=O)[O-] ZINC000450631084 251376891 /nfs/dbraw/zinc/37/68/91/251376891.db2.gz ZSGGYWVKNNTYCT-UHFFFAOYSA-N 0 1 274.284 1.906 20 5 CDBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC2(CC2)C1 ZINC000452272812 252004066 /nfs/dbraw/zinc/00/40/66/252004066.db2.gz PRIRIEZPTXPCSS-UHFFFAOYSA-N 0 1 272.264 1.707 20 5 CDBDMN Cc1[nH]nc(C(=O)N(CC2CCC2)[C@H](C)CO)c1[N+](=O)[O-] ZINC000280937441 195037902 /nfs/dbraw/zinc/03/79/02/195037902.db2.gz YTONVOWWUAARAT-MRVPVSSYSA-N 0 1 296.327 1.249 20 5 CDBDMN Cc1[nH]nc(C(=O)N2CCC(C)(C)CC2)c1[N+](=O)[O-] ZINC000339274824 390794810 /nfs/dbraw/zinc/79/48/10/390794810.db2.gz JUFWFKIIWAUCHP-UHFFFAOYSA-N 0 1 266.301 1.889 20 5 CDBDMN CCCc1[nH]nc(C(=O)N(C)CC(F)F)c1[N+](=O)[O-] ZINC000158867867 390942287 /nfs/dbraw/zinc/94/22/87/390942287.db2.gz QPSHITVGPAAAJX-UHFFFAOYSA-N 0 1 276.243 1.608 20 5 CDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC(OC(F)F)C1 ZINC000437610196 391661103 /nfs/dbraw/zinc/66/11/03/391661103.db2.gz ATJVGIJNMFMDGL-UHFFFAOYSA-N 0 1 288.206 1.364 20 5 CDBDMN Cc1c(CN2CCN(C[C@@H](C)O)CC2)cccc1[N+](=O)[O-] ZINC000189375066 391759520 /nfs/dbraw/zinc/75/95/20/391759520.db2.gz PYEUHRHSAOVLCI-GFCCVEGCSA-N 0 1 293.367 1.402 20 5 CDBDMN COc1ccc(OCC[N@@H+](C)[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000262680424 131250736 /nfs/dbraw/zinc/25/07/36/131250736.db2.gz VSYWRJWCJPABEO-SECBINFHSA-N 0 1 298.295 1.387 20 5 CDBDMN O=C(Nc1cccc(-c2cn[nH]n2)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000442668442 392448538 /nfs/dbraw/zinc/44/85/38/392448538.db2.gz DIVZUETZVXBHFT-UHFFFAOYSA-N 0 1 299.250 1.355 20 5 CDBDMN CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269200563 132129700 /nfs/dbraw/zinc/12/97/00/132129700.db2.gz QZYDHAYSACIFJT-SNVBAGLBSA-N 0 1 295.339 1.761 20 5 CDBDMN O=[N+]([O-])c1cc(F)ccc1N1CC[C@H](c2nc[nH]n2)C1 ZINC000425275521 393014076 /nfs/dbraw/zinc/01/40/76/393014076.db2.gz AIOGCTSHKIFVPT-QMMMGPOBSA-N 0 1 277.259 1.846 20 5 CDBDMN Cc1ncc([N+](=O)[O-])n1Cc1nnc(C(C)C)[nH]1 ZINC000488238217 393084464 /nfs/dbraw/zinc/08/44/64/393084464.db2.gz UEFZSCOJCKCCJP-UHFFFAOYSA-N 0 1 250.262 1.390 20 5 CDBDMN COc1cc([N+](=O)[O-])ccc1CN(C[C@@H](C)O)[C@H](C)CO ZINC000430198145 393090734 /nfs/dbraw/zinc/09/07/34/393090734.db2.gz YBSMTTRBDJPWLV-GHMZBOCLSA-N 0 1 298.339 1.167 20 5 CDBDMN COc1cc([N+](=O)[O-])ccc1CN1C[C@H](O)[C@@H](C)C1 ZINC000430206820 393092969 /nfs/dbraw/zinc/09/29/69/393092969.db2.gz PNYUQRSIYJSNSP-CABZTGNLSA-N 0 1 266.297 1.416 20 5 CDBDMN COc1cc([N+](=O)[O-])ccc1CN1CCc2n[nH]nc2C1 ZINC000430242013 393095006 /nfs/dbraw/zinc/09/50/06/393095006.db2.gz XDLWFGLWHCEGMH-UHFFFAOYSA-N 0 1 289.295 1.280 20 5 CDBDMN Cc1cccc(N2CCN(CCO)C(C)(C)C2)c1[N+](=O)[O-] ZINC000302522709 393199863 /nfs/dbraw/zinc/19/98/63/393199863.db2.gz YLOBQWBVSQGHKR-UHFFFAOYSA-N 0 1 293.367 1.796 20 5 CDBDMN CNc1c(C(=O)N[C@H](C)c2nnc[nH]2)cccc1[N+](=O)[O-] ZINC000231523972 140216178 /nfs/dbraw/zinc/21/61/78/140216178.db2.gz PKXLJINHVRUBAX-SSDOTTSWSA-N 0 1 290.283 1.246 20 5 CDBDMN Cc1c(CN(C)CCOCCO)cccc1[N+](=O)[O-] ZINC000311513228 149215931 /nfs/dbraw/zinc/21/59/31/149215931.db2.gz CDFHUPDHKXKUFG-UHFFFAOYSA-N 0 1 268.313 1.344 20 5 CDBDMN Cc1c(Nc2ncc([N+](=O)[O-])c(N)n2)cnn1CC(C)C ZINC000346697769 153279468 /nfs/dbraw/zinc/27/94/68/153279468.db2.gz GSYNSYGJDLGVTA-UHFFFAOYSA-N 0 1 291.315 1.702 20 5 CDBDMN CC(C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000078267556 177329749 /nfs/dbraw/zinc/32/97/49/177329749.db2.gz VYEHZKKNSIASNC-UHFFFAOYSA-N 0 1 293.323 1.467 20 5 CDBDMN C[C@H](CS(C)(=O)=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000078640032 177364036 /nfs/dbraw/zinc/36/40/36/177364036.db2.gz FFSKGHPXSORJHA-SECBINFHSA-N 0 1 272.326 1.118 20 5 CDBDMN C[C@@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CCN1 ZINC000214007041 260223280 /nfs/dbraw/zinc/22/32/80/260223280.db2.gz JBIVXQFICLWQHT-JMEBYUIHSA-N 0 1 275.308 1.428 20 5 CDBDMN O=[N+]([O-])c1cnn(CCNCc2cc(O)cc(F)c2)c1 ZINC000185583842 270257747 /nfs/dbraw/zinc/25/77/47/270257747.db2.gz SBHMEDXFVKMRAY-UHFFFAOYSA-N 0 1 280.259 1.426 20 5 CDBDMN O=C(C=Cc1ccccc1[N+](=O)[O-])NCCc1nc[nH]n1 ZINC000211329904 280085211 /nfs/dbraw/zinc/08/52/11/280085211.db2.gz HMDSZOCCVSDBIH-WAYWQWQTSA-N 0 1 287.279 1.085 20 5 CDBDMN C[C@@H](C(=O)NCCc1nc[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000235148703 280126753 /nfs/dbraw/zinc/12/67/53/280126753.db2.gz AAULIIROINUGMC-SECBINFHSA-N 0 1 289.295 1.175 20 5 CDBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](O)CN(C)C ZINC000154310057 289201622 /nfs/dbraw/zinc/20/16/22/289201622.db2.gz UQTXMLKLYUMEND-WCQYABFASA-N 0 1 281.356 1.476 20 5 CDBDMN O=C([O-])CCC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000568451925 294037226 /nfs/dbraw/zinc/03/72/26/294037226.db2.gz ZQLUEBPIGKQJOC-UHFFFAOYSA-N 0 1 280.280 1.654 20 5 CDBDMN O=C([O-])CCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000568451925 294037228 /nfs/dbraw/zinc/03/72/28/294037228.db2.gz ZQLUEBPIGKQJOC-UHFFFAOYSA-N 0 1 280.280 1.654 20 5 CDBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@]1(C)CO ZINC000571210947 294389992 /nfs/dbraw/zinc/38/99/92/294389992.db2.gz RNCPMIZXRCMTMN-AWEZNQCLSA-N 0 1 280.324 1.950 20 5 CDBDMN CO[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000563637803 316349150 /nfs/dbraw/zinc/34/91/50/316349150.db2.gz PKOGHOMMPKLVMW-DGCLKSJQSA-N 0 1 294.307 1.659 20 5 CDBDMN CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(=O)[O-] ZINC000566979574 482449503 /nfs/dbraw/zinc/44/95/03/482449503.db2.gz VTIVBPDONTVQSU-UHFFFAOYSA-N 0 1 268.269 1.380 20 5 CDBDMN O=[N+]([O-])CCN(CCCO)[C@@H]1CCc2ccccc21 ZINC000791051340 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1165459386 /nfs/dbraw/zinc/45/93/86/1165459386.db2.gz FXZHQDVBGDZOTH-LBPRGKRZSA-N 0 1 292.291 1.250 20 5 CDBDMN O=[N+]([O-])c1c(NCc2c[nH]nn2)ccc2cnccc21 ZINC001472713201 1167760670 /nfs/dbraw/zinc/76/06/70/1167760670.db2.gz DZDHWJUSTBBVDW-UHFFFAOYSA-N 0 1 270.252 1.873 20 5 CDBDMN Cc1nc(N2C[C@@H](C)N(C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000408067966 719153632 /nfs/dbraw/zinc/15/36/32/719153632.db2.gz QDQDSWQBPFTNNH-NXEZZACHSA-N 0 1 264.329 1.827 20 5 CDBDMN C[C@@](N)(C(=O)NCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000867953572 1164887452 /nfs/dbraw/zinc/88/74/52/1164887452.db2.gz ACPNROZKALHZNJ-JTQLQIEISA-N 0 1 291.229 1.447 20 5 CDBDMN Cc1ccc(CN2CCC(CO)(CO)CC2)cc1[N+](=O)[O-] ZINC000877797669 1166102876 /nfs/dbraw/zinc/10/28/76/1166102876.db2.gz PBGKLVXLEOZNIJ-UHFFFAOYSA-N 0 1 294.351 1.470 20 5 CDBDMN O=C(NCc1ccc(Cl)nc1)c1n[nH]cc1[N+](=O)[O-] ZINC000136832178 1166528646 /nfs/dbraw/zinc/52/86/46/1166528646.db2.gz ZEOFQNUXCNRNQC-UHFFFAOYSA-N 0 1 281.659 1.296 20 5 CDBDMN Cc1nnc(CN)n1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173228954 912321373 /nfs/dbraw/zinc/32/13/73/912321373.db2.gz OJCVLPBYDIRNQY-VIFPVBQESA-N 0 1 275.312 1.757 20 5 CDBDMN O=C(NCCNCc1csc([N+](=O)[O-])c1)C(F)F ZINC001122372287 913670354 /nfs/dbraw/zinc/67/03/54/913670354.db2.gz AEKRNTOVAPGSNL-UHFFFAOYSA-N 0 1 279.268 1.127 20 5 CDBDMN CCN1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000051121414 896023025 /nfs/dbraw/zinc/02/30/25/896023025.db2.gz INLMVPANLIZAEE-UHFFFAOYSA-N 0 1 267.304 1.871 20 5 CDBDMN CNCc1cn(Cc2cc(Cl)ccc2[N+](=O)[O-])nn1 ZINC000093634334 900633887 /nfs/dbraw/zinc/63/38/87/900633887.db2.gz RIKKIOXHGOTNTN-UHFFFAOYSA-N 0 1 281.703 1.607 20 5 CDBDMN CC(=O)N1CCC[C@H](Oc2cc(O)ccc2[N+](=O)[O-])C1 ZINC001225488709 902793279 /nfs/dbraw/zinc/79/32/79/902793279.db2.gz JIERMKWNNDOAEF-NSHDSACASA-N 0 1 280.280 1.690 20 5 CDBDMN CC1(C)[C@H](O)C[C@H]1NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000128517269 909643618 /nfs/dbraw/zinc/64/36/18/909643618.db2.gz XAYLYMCHHCMGRF-VXGBXAGGSA-N 0 1 295.295 1.752 20 5 CDBDMN C[C@@H]1[C@H](O)CC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832219414 936565468 /nfs/dbraw/zinc/56/54/68/936565468.db2.gz DYFNRPDVFULDOI-OASPWFOLSA-N 0 1 266.297 1.083 20 5 CDBDMN O=[N+]([O-])c1cccc([C@@H](O)CNC[C@H](O)C(F)(F)F)c1 ZINC000843062393 919400459 /nfs/dbraw/zinc/40/04/59/919400459.db2.gz IGGXSHQTYSSAEI-UWVGGRQHSA-N 0 1 294.229 1.141 20 5 CDBDMN CC(C)c1nc([C@@H](C)NC(=O)CCC(C)(C)[N+](=O)[O-])n[nH]1 ZINC000827526668 936597731 /nfs/dbraw/zinc/59/77/31/936597731.db2.gz SDULEQGZDBVUPM-SECBINFHSA-N 0 1 297.359 1.941 20 5 CDBDMN COCCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837497385 936844794 /nfs/dbraw/zinc/84/47/94/936844794.db2.gz RFJOWXFYWSXSRM-UHFFFAOYSA-N 0 1 255.226 1.380 20 5 CDBDMN Cc1cccc(C)c1OC[C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839576176 936915852 /nfs/dbraw/zinc/91/58/52/936915852.db2.gz ZDJXMQAKVWXRJE-JHJVBQTASA-N 0 1 292.335 1.852 20 5 CDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCO[C@@H](c2ccccc2)C1 ZINC000839658067 936917919 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Cc1cnc([C@@H](C)CNC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC000839725550 936922008 /nfs/dbraw/zinc/92/20/08/936922008.db2.gz JTFAPAPKSKKIFO-NBEYISGCSA-N 0 1 269.326 1.336 20 5 CDBDMN COc1cccc(C2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC000839776908 936925572 /nfs/dbraw/zinc/92/55/72/936925572.db2.gz NZNBOQZUGLLADL-CHWSQXEVSA-N 0 1 290.319 1.508 20 5 CDBDMN Cc1cc2cc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])ccc2[nH]1 ZINC000839765346 936924743 /nfs/dbraw/zinc/92/47/43/936924743.db2.gz PJJQYHDEYVJENC-DGCLKSJQSA-N 0 1 273.292 1.758 20 5 CDBDMN O=C(NC[C@H]1CCC[C@@H]1C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839806971 936926872 /nfs/dbraw/zinc/92/68/72/936926872.db2.gz AEEKQHQRDYXRLT-DDHJBXDOSA-N 0 1 252.314 1.594 20 5 CDBDMN O=[N+]([O-])c1cnn(CN2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000840119341 936938816 /nfs/dbraw/zinc/93/88/16/936938816.db2.gz HGDNQVCFLLCWEM-JHJVBQTASA-N 0 1 280.328 1.374 20 5 CDBDMN CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840377773 936949224 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Cc1cc(O)c([N+](=O)[O-])c(O[C@@H](C[N+](=O)[O-])C2CC2)n1 ZINC001231265169 925690282 /nfs/dbraw/zinc/69/02/82/925690282.db2.gz ZLZZKQRUKCZDNT-VIFPVBQESA-N 0 1 283.240 1.438 20 5 CDBDMN NCc1ncccc1N[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168988861 927627772 /nfs/dbraw/zinc/62/77/72/927627772.db2.gz UFDQEDSVIHPAFK-ZJUUUORDSA-N 0 1 250.302 1.398 20 5 CDBDMN CCOC(=O)[C@@H]1CCCN1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039887 927653175 /nfs/dbraw/zinc/65/31/75/927653175.db2.gz VJQGJFYWLCCTAO-TUAOUCFPSA-N 0 1 270.329 1.459 20 5 CDBDMN CC[C@@H](NC)c1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 ZINC000854153052 928164735 /nfs/dbraw/zinc/16/47/35/928164735.db2.gz DJCFUFJWWXCIFX-SSDOTTSWSA-N 0 1 280.288 1.357 20 5 CDBDMN COc1c(F)cc(NC[C@@H]2COCCN2)cc1[N+](=O)[O-] ZINC001170045909 929143515 /nfs/dbraw/zinc/14/35/15/929143515.db2.gz XISYFCKEUVNLDR-SECBINFHSA-N 0 1 285.275 1.143 20 5 CDBDMN Cc1c(CC(=O)OCCN2CCC2)cccc1[N+](=O)[O-] ZINC000861389636 929290326 /nfs/dbraw/zinc/29/03/26/929290326.db2.gz SIWRWKOHZZBANS-UHFFFAOYSA-N 0 1 278.308 1.695 20 5 CDBDMN O=C(NC[C@@H]1C=CCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000881494806 929854111 /nfs/dbraw/zinc/85/41/11/929854111.db2.gz CWPFWCVKYCQUNT-SECBINFHSA-N 0 1 262.265 1.996 20 5 CDBDMN C[C@@H](NC1COC(C)(C)OC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815615980 930066974 /nfs/dbraw/zinc/06/69/74/930066974.db2.gz CMHJPSCXPBLUFX-SECBINFHSA-N 0 1 295.339 1.979 20 5 CDBDMN CC[C@@](N)(CO)Nc1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001159743448 930785061 /nfs/dbraw/zinc/78/50/61/930785061.db2.gz FZLIGZPZJQZESZ-ZDUSSCGKSA-N 0 1 276.296 1.612 20 5 CDBDMN O=C(NCc1ccccc1[N+](=O)[O-])c1n[nH]cc1[N+](=O)[O-] ZINC000136457023 930785830 /nfs/dbraw/zinc/78/58/30/930785830.db2.gz WOQZSKGKHAPNCK-UHFFFAOYSA-N 0 1 291.223 1.156 20 5 CDBDMN O=[N+]([O-])c1ncccc1CN1CCN(C2CCC2)CC1 ZINC000886010380 930787478 /nfs/dbraw/zinc/78/74/78/930787478.db2.gz ICWWPAQWIKLMJL-UHFFFAOYSA-N 0 1 276.340 1.660 20 5 CDBDMN C[C@@]1(CO)CCCN1Cc1cccnc1[N+](=O)[O-] ZINC000886134675 930812766 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O=[N+]([O-])CCN(CCO)[C@@H]1CCc2ccccc21 ZINC000929796359 933271467 /nfs/dbraw/zinc/27/14/67/933271467.db2.gz ABVDHOYTIASZTB-CYBMUJFWSA-N 0 1 250.298 1.245 20 5 CDBDMN O=[N+]([O-])CCN[C@H](c1cccs1)C1(CO)CCC1 ZINC000930666606 933426629 /nfs/dbraw/zinc/42/66/29/933426629.db2.gz LFJORGWYKXTPJF-LLVKDONJSA-N 0 1 270.354 1.818 20 5 CDBDMN O=[N+]([O-])c1cccc(F)c1CN1CC[C@@H](C2OCCO2)C1 ZINC000932006281 933649308 /nfs/dbraw/zinc/64/93/08/933649308.db2.gz JJBACSWYZVIQPY-SNVBAGLBSA-N 0 1 296.298 1.929 20 5 CDBDMN O=[N+]([O-])c1cc(F)ccc1CN1CC[C@@H](C2OCCO2)C1 ZINC000718991198 934838457 /nfs/dbraw/zinc/83/84/57/934838457.db2.gz ZWMBQTYGFWIGJT-LLVKDONJSA-N 0 1 296.298 1.929 20 5 CDBDMN Cc1ccc(-c2noc(-c3[nH]cnc3[N+](=O)[O-])n2)nc1 ZINC001212893021 934881096 /nfs/dbraw/zinc/88/10/96/934881096.db2.gz IXAFBPMSLOPTJM-UHFFFAOYSA-N 0 1 272.224 1.738 20 5 CDBDMN CNC(=O)C1(NCc2ccc([N+](=O)[O-])c(F)c2)CCCC1 ZINC000801522971 935995966 /nfs/dbraw/zinc/99/59/66/935995966.db2.gz HVAGAOFMBLMKNP-UHFFFAOYSA-N 0 1 295.314 1.882 20 5 CDBDMN Cc1nc(N2CCN(C(C)C)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC001158501182 938630503 /nfs/dbraw/zinc/63/05/03/938630503.db2.gz NJJNGCLUWZPXSZ-JTQLQIEISA-N 0 1 279.344 1.612 20 5 CDBDMN CNc1cc([N+](=O)[O-])cnc1N[C@H]1CN2CCC1CC2 ZINC001163386843 939260314 /nfs/dbraw/zinc/26/03/14/939260314.db2.gz ZLBBTJALMOFOSW-LBPRGKRZSA-N 0 1 277.328 1.538 20 5 CDBDMN CC(C)N1CCN(c2ncc([N+](=O)[O-])cc2N)C[C@H]1C ZINC001165200412 939522935 /nfs/dbraw/zinc/52/29/35/939522935.db2.gz XSWNKCFAWFNNJJ-SNVBAGLBSA-N 0 1 279.344 1.491 20 5 CDBDMN COCc1nn(-c2ncc([N+](=O)[O-])cc2F)c2c1CNC2 ZINC001165631569 939572408 /nfs/dbraw/zinc/57/24/08/939572408.db2.gz CDAWKDGVKJQCDI-UHFFFAOYSA-N 0 1 293.258 1.064 20 5 CDBDMN C[N@H+]1CCC[C@@H](Oc2cc(O)cc([O-])c2[N+](=O)[O-])CC1 ZINC001228972560 942401513 /nfs/dbraw/zinc/40/15/13/942401513.db2.gz YSBCZKCBMKINRY-SNVBAGLBSA-N 0 1 282.296 1.869 20 5 CDBDMN Cc1nc(O[C@@H]2CCC[N@H+](C)CC2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229375788 942460392 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CO[C@@H]1COC[C@H]1N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000564966806 365557621 /nfs/dbraw/zinc/55/76/21/365557621.db2.gz PIVVEKFEYKDDNF-MPKXVKKWSA-N 0 1 280.324 1.968 20 5 CDBDMN O=[N+]([O-])c1cnc(N2CCc3cn[nH]c3C2)c(F)c1 ZINC000591151050 342619141 /nfs/dbraw/zinc/61/91/41/342619141.db2.gz XUQVBCHCCFFVDL-UHFFFAOYSA-N 0 1 263.232 1.415 20 5 CDBDMN O=[N+]([O-])c1sccc1N1CC[C@H](c2nc[nH]n2)C1 ZINC000591830136 342648071 /nfs/dbraw/zinc/64/80/71/342648071.db2.gz OLFOATHRZRSDQS-ZETCQYMHSA-N 0 1 265.298 1.768 20 5 CDBDMN CC1(C)[C@H](NCc2c(F)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000594003741 342862570 /nfs/dbraw/zinc/86/25/70/342862570.db2.gz SIFNTKSVCKYHKT-NEPJUHHUSA-N 0 1 268.288 1.983 20 5 CDBDMN CN1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595288331 343023709 /nfs/dbraw/zinc/02/37/09/343023709.db2.gz YVZSFFMLGUIGFK-UHFFFAOYSA-N 0 1 253.277 1.481 20 5 CDBDMN CCN1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])C[C@H]1C ZINC000596173339 343259678 /nfs/dbraw/zinc/25/96/78/343259678.db2.gz TULUCKKHWRSESI-SECBINFHSA-N 0 1 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IPEKFISFSBBMKW-ZDUSSCGKSA-N 0 1 298.364 1.652 20 5 CDBDMN Cc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000609595008 345821634 /nfs/dbraw/zinc/82/16/34/345821634.db2.gz LKIKYGKIZHTYSC-UHFFFAOYSA-N 0 1 278.243 1.695 20 5 CDBDMN CN(CCOC(C)(C)C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000611185434 346634008 /nfs/dbraw/zinc/63/40/08/346634008.db2.gz VYQFHDBWAHDBKR-UHFFFAOYSA-N 0 1 297.355 1.503 20 5 CDBDMN CCN1C[C@@H](C)N(c2ncccc2[N+](=O)[O-])C[C@H]1C ZINC000611222043 346696490 /nfs/dbraw/zinc/69/64/90/346696490.db2.gz PWKFTLDEXJTQJU-GHMZBOCLSA-N 0 1 264.329 1.909 20 5 CDBDMN Cc1cc([N+](=O)[O-])cnc1N1CCc2cn[nH]c2C1 ZINC000611298532 346740746 /nfs/dbraw/zinc/74/07/46/346740746.db2.gz XSEHAXXDYWNYIT-UHFFFAOYSA-N 0 1 259.269 1.584 20 5 CDBDMN COCCN1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000105832055 186077124 /nfs/dbraw/zinc/07/71/24/186077124.db2.gz ZOWVYRXRVMRYLG-CYBMUJFWSA-N 0 1 293.367 1.747 20 5 CDBDMN O=C(NC1(C2CC2)CCOCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000364246186 362967710 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Cc1c(CNCc2cncn2C)cccc1[N+](=O)[O-] ZINC000231884035 140220091 /nfs/dbraw/zinc/22/00/91/140220091.db2.gz VZZSQOMMNUQHQJ-UHFFFAOYSA-N 0 1 260.297 1.927 20 5 CDBDMN Cn1cnc([N+](=O)[O-])c1CN[C@@H]1CCC[C@H]1OC(F)F ZINC000348522799 153917003 /nfs/dbraw/zinc/91/70/03/153917003.db2.gz ZTOLVNPUNNCYON-VXNVDRBHSA-N 0 1 290.270 1.578 20 5 CDBDMN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H]2COCC[C@H]21 ZINC000362446926 159151104 /nfs/dbraw/zinc/15/11/04/159151104.db2.gz IVDNAZICKNRTNR-WDEREUQCSA-N 0 1 280.328 1.329 20 5 CDBDMN CS(=O)(=O)CCCNCc1csc([N+](=O)[O-])c1 ZINC000038047790 174058199 /nfs/dbraw/zinc/05/81/99/174058199.db2.gz SEPXAUQTXKRVKB-UHFFFAOYSA-N 0 1 278.355 1.181 20 5 CDBDMN C[C@@H](O)CN1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000189397153 274270101 /nfs/dbraw/zinc/27/01/01/274270101.db2.gz SLMUNYONMCQRRH-LLVKDONJSA-N 0 1 297.330 1.232 20 5 CDBDMN CN1CCC[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000156524090 277057212 /nfs/dbraw/zinc/05/72/12/277057212.db2.gz FLRQPODOLIYONP-CQSZACIVSA-N 0 1 289.335 1.574 20 5 CDBDMN C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)CCCN1C ZINC000343480484 279124770 /nfs/dbraw/zinc/12/47/70/279124770.db2.gz DLADSRKBJNDBEU-NOZJJQNGSA-N 0 1 295.314 1.946 20 5 CDBDMN C[C@H](N[C@@H]1CC(=O)N(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000336817609 279501114 /nfs/dbraw/zinc/50/11/14/279501114.db2.gz QZOYASITDQUHMH-GXSJLCMTSA-N 0 1 263.297 1.476 20 5 CDBDMN Cc1c(C(=O)N2C[C@@H](C)N[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000070076343 280211646 /nfs/dbraw/zinc/21/16/46/280211646.db2.gz USSSMWQFWQJGQX-AOOOYVTPSA-N 0 1 277.324 1.726 20 5 CDBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCCOCC1 ZINC000332257158 280369090 /nfs/dbraw/zinc/36/90/90/280369090.db2.gz ZQUHZAFUCSBRCN-UHFFFAOYSA-N 0 1 252.270 1.523 20 5 CDBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCCc2n[nH]cc21 ZINC000356431599 280369103 /nfs/dbraw/zinc/36/91/03/280369103.db2.gz SGNNHAGOWZQHQS-UHFFFAOYSA-N 0 1 274.280 1.976 20 5 CDBDMN CCc1[nH]nc(C(=O)N2CCC3(CCC3)C2)c1[N+](=O)[O-] ZINC000177455301 281362456 /nfs/dbraw/zinc/36/24/56/281362456.db2.gz YHCYWCMEIZRCCR-UHFFFAOYSA-N 0 1 278.312 1.897 20 5 CDBDMN CCc1[nH]nc(C(=O)N2C[C@@H](C)OC[C@@H]2CC)c1[N+](=O)[O-] ZINC000278621906 281362972 /nfs/dbraw/zinc/36/29/72/281362972.db2.gz PCVKCRHJRUDZRC-BDAKNGLRSA-N 0 1 296.327 1.520 20 5 CDBDMN CCc1[nH]nc(C(=O)N2CCOC[C@@]2(C)CC)c1[N+](=O)[O-] ZINC000331287047 281363188 /nfs/dbraw/zinc/36/31/88/281363188.db2.gz NQGDKANWAVOEEA-CYBMUJFWSA-N 0 1 296.327 1.521 20 5 CDBDMN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ncccc2O)c1 ZINC000180995374 323225634 /nfs/dbraw/zinc/22/56/34/323225634.db2.gz JBWSCBNSAJHKEC-UHFFFAOYSA-N 0 1 289.247 1.956 20 5 CDBDMN O=[N+]([O-])c1c(F)cc(F)cc1NC[C@H]1COCCN1 ZINC000236276612 1159453674 /nfs/dbraw/zinc/45/36/74/1159453674.db2.gz APCPGVBCXBOXCL-QMMMGPOBSA-N 0 1 273.239 1.273 20 5 CDBDMN C[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)N1 ZINC000153174810 534306126 /nfs/dbraw/zinc/30/61/26/534306126.db2.gz FZKDBLMQTHQXIF-GHMZBOCLSA-N 0 1 293.323 1.182 20 5 CDBDMN CC(C)OCCS(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000080782508 519769916 /nfs/dbraw/zinc/76/99/16/519769916.db2.gz GAUGQSFCSAOBJE-UHFFFAOYSA-N 0 1 288.325 1.762 20 5 CDBDMN COC[C@@H](C)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000149975992 522203615 /nfs/dbraw/zinc/20/36/15/522203615.db2.gz KXNOUUIULJOFHD-QMMMGPOBSA-N 0 1 292.295 1.483 20 5 CDBDMN Cc1c(CN[C@@H]2CCCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000069144232 525728998 /nfs/dbraw/zinc/72/89/98/525728998.db2.gz UVIPSUJVBHUGPI-GFCCVEGCSA-N 0 1 298.364 1.570 20 5 CDBDMN O=C(CNCc1ccc([N+](=O)[O-])cc1)NCC1CC1 ZINC000037668633 526883324 /nfs/dbraw/zinc/88/33/24/526883324.db2.gz WVXZHSYRTQLTRL-UHFFFAOYSA-N 0 1 263.297 1.211 20 5 CDBDMN NC(=O)c1cccc(NCCN2CC=CCC2)c1[N+](=O)[O-] ZINC000338710448 527085422 /nfs/dbraw/zinc/08/54/22/527085422.db2.gz HUQOHBCQQCFXMY-UHFFFAOYSA-N 0 1 290.323 1.368 20 5 CDBDMN CNC(=O)C[C@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000323048567 536299051 /nfs/dbraw/zinc/29/90/51/536299051.db2.gz QBFSZSWBRUTFPX-QMMMGPOBSA-N 0 1 285.731 1.862 20 5 CDBDMN COCCS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000763087734 576711592 /nfs/dbraw/zinc/71/15/92/576711592.db2.gz UJZWFHSMYXDRCT-UHFFFAOYSA-N 0 1 278.261 1.122 20 5 CDBDMN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@H]1COCCO1 ZINC000084439878 679859507 /nfs/dbraw/zinc/85/95/07/679859507.db2.gz WHFOULNBOKSZBH-LLVKDONJSA-N 0 1 286.715 1.753 20 5 CDBDMN C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC000111614631 601499161 /nfs/dbraw/zinc/49/91/61/601499161.db2.gz FOOSLIYMCCOYHX-CABZTGNLSA-N 0 1 264.281 1.747 20 5 CDBDMN COc1cc(CN[C@H]2COC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000932487457 617314278 /nfs/dbraw/zinc/31/42/78/617314278.db2.gz BLJFMIZEZQTLKD-KCJUWKMLSA-N 0 1 284.287 1.867 20 5 CDBDMN C[C@@H]1CCc2n[nH]c(C(=O)OCC(C)(C)[N+](=O)[O-])c2C1 ZINC000893160549 617420235 /nfs/dbraw/zinc/42/02/35/617420235.db2.gz YYKCXMDPRPNNGH-MRVPVSSYSA-N 0 1 281.312 1.747 20 5 CDBDMN CCn1cc(CCOC(=O)c2ccc([N+](=O)[O-])[nH]2)cn1 ZINC000781664953 617987401 /nfs/dbraw/zinc/98/74/01/617987401.db2.gz LYXZNCSPZQDSJE-UHFFFAOYSA-N 0 1 278.268 1.539 20 5 CDBDMN CN1C[C@H]2CCN(c3ncc([N+](=O)[O-])s3)[C@H]2C1 ZINC000893938840 618201241 /nfs/dbraw/zinc/20/12/41/618201241.db2.gz GNEKWRSQGIDKKL-SFYZADRCSA-N 0 1 254.315 1.192 20 5 CDBDMN Cc1cc(F)ccc1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673471 618776884 /nfs/dbraw/zinc/77/68/84/618776884.db2.gz OTXUCNRJGGTCOG-GHMZBOCLSA-N 0 1 253.229 1.843 20 5 CDBDMN COC(=O)N1CC(C)(NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000894541746 618951016 /nfs/dbraw/zinc/95/10/16/618951016.db2.gz CLLNRXFATUBPQW-UHFFFAOYSA-N 0 1 293.323 1.834 20 5 CDBDMN CC1(C)CNC(=O)[C@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000895319271 619552474 /nfs/dbraw/zinc/55/24/74/619552474.db2.gz WLWYKAFWQIAQLH-VUDGCMKMSA-N 0 1 289.335 1.722 20 5 CDBDMN CN1CC[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000895775450 619839185 /nfs/dbraw/zinc/83/91/85/619839185.db2.gz AFBRNBJGIXQXBF-SNVBAGLBSA-N 0 1 290.323 1.596 20 5 CDBDMN O=[N+]([O-])CCNCCc1nc(-c2cccc(Cl)c2)no1 ZINC000905116652 626628282 /nfs/dbraw/zinc/62/82/82/626628282.db2.gz IAPIWQOIENQFGC-UHFFFAOYSA-N 0 1 296.714 1.799 20 5 CDBDMN CO[C@@H](c1ccccc1F)[C@@H](C)NCC[N+](=O)[O-] ZINC000905204139 626690244 /nfs/dbraw/zinc/69/02/44/626690244.db2.gz YALFJFUIPJTIOC-BXKDBHETSA-N 0 1 256.277 1.768 20 5 CDBDMN CC1(C)C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C(C)(C)O1 ZINC000885833240 683348024 /nfs/dbraw/zinc/34/80/24/683348024.db2.gz YJEMFMZFGMUUKQ-IVZWLZJFSA-N 0 1 270.329 1.362 20 5 CDBDMN O=C(CCc1nc[nH]n1)OCc1ccc([N+](=O)[O-])cc1 ZINC000125858200 679719284 /nfs/dbraw/zinc/71/92/84/679719284.db2.gz VEGKSARGWJCREO-UHFFFAOYSA-N 0 1 276.252 1.389 20 5 CDBDMN CC(C)(O)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837486435 679726538 /nfs/dbraw/zinc/72/65/38/679726538.db2.gz ZDWHHCCHDBIXFE-UHFFFAOYSA-N 0 1 255.226 1.115 20 5 CDBDMN O=C(Nc1cccc(N2CCC2=O)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839748328 679730892 /nfs/dbraw/zinc/73/08/92/679730892.db2.gz JGCQIIAZLGXZHQ-GHMZBOCLSA-N 0 1 275.264 1.027 20 5 CDBDMN CCN(C[C@H]1CCOC1)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779865811 679750137 /nfs/dbraw/zinc/75/01/37/679750137.db2.gz QWGXAKDZJRKHIP-LLVKDONJSA-N 0 1 268.317 1.416 20 5 CDBDMN Cc1nn(C)c(-c2nc([C@H](N)C(C)C)no2)c1[N+](=O)[O-] ZINC000843149405 679750732 /nfs/dbraw/zinc/75/07/32/679750732.db2.gz MJLQZVMONBBFAG-SSDOTTSWSA-N 0 1 280.288 1.343 20 5 CDBDMN CC[C@@](C)(O)CN(CC[N+](=O)[O-])Cc1ccccc1 ZINC000930248023 679795423 /nfs/dbraw/zinc/79/54/23/679795423.db2.gz HEIKSPJTAKEFAE-CQSZACIVSA-N 0 1 266.341 1.926 20 5 CDBDMN CC(C)C[N@H+](CC(=O)[O-])C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000846265111 679811395 /nfs/dbraw/zinc/81/13/95/679811395.db2.gz ZJGQBGDMFKGPGR-CYBMUJFWSA-N 0 1 296.323 1.671 20 5 CDBDMN O=C(OCc1ccc2[nH]ccc2c1)[C@@H]1CC1[N+](=O)[O-] ZINC000873553227 679809569 /nfs/dbraw/zinc/80/95/69/679809569.db2.gz FLXVJZTXAPXDNU-ZYHUDNBSSA-N 0 1 260.249 1.876 20 5 CDBDMN O=C(Nc1cccc([N+](=O)[O-])c1Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841222730 679742316 /nfs/dbraw/zinc/74/23/16/679742316.db2.gz JNGVPIXTPHENMJ-SVGQVSJJSA-N 0 1 285.643 1.852 20 5 CDBDMN Cc1c(CN[C@H](C)C(=O)NC(C)C)cccc1[N+](=O)[O-] ZINC000229012703 679835216 /nfs/dbraw/zinc/83/52/16/679835216.db2.gz IAXRYJWFCNOWEC-LLVKDONJSA-N 0 1 279.340 1.906 20 5 CDBDMN CCc1[nH]nc(C(=O)OCCN2CCCCC2)c1[N+](=O)[O-] ZINC000795616330 679835493 /nfs/dbraw/zinc/83/54/93/679835493.db2.gz RHJFLBKLZURJHV-UHFFFAOYSA-N 0 1 296.327 1.523 20 5 CDBDMN C[C@](O)(CNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCCC1 ZINC000839732849 679872188 /nfs/dbraw/zinc/87/21/88/679872188.db2.gz FGPFDSMSIWYYLN-WZRBSPASSA-N 0 1 270.329 1.099 20 5 CDBDMN CCON(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839790851 681892758 /nfs/dbraw/zinc/89/27/58/681892758.db2.gz ANSBZHUBXNQASU-VXGBXAGGSA-N 0 1 264.281 1.632 20 5 CDBDMN COC[C@@H](CNCc1ccc(Cl)cc1[N+](=O)[O-])OC ZINC000234709385 682049303 /nfs/dbraw/zinc/04/93/03/682049303.db2.gz FRKWWXZTURRMCS-LLVKDONJSA-N 0 1 288.731 1.999 20 5 CDBDMN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839752670 682276189 /nfs/dbraw/zinc/27/61/89/682276189.db2.gz GYNZSDGJKFOQEM-UQPQVDFHSA-N 0 1 296.367 1.440 20 5 CDBDMN Cc1nc([N+](=O)[O-])cn1CCc1nc([C@H](N)C(C)C)no1 ZINC000843155642 682325118 /nfs/dbraw/zinc/32/51/18/682325118.db2.gz WJOODFSVLQRMHX-LLVKDONJSA-N 0 1 294.315 1.381 20 5 CDBDMN O=C(NC[C@@H]1CCOC2(CCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839783018 682495663 /nfs/dbraw/zinc/49/56/63/682495663.db2.gz OTEUCRRJSOWYMW-GMTAPVOTSA-N 0 1 268.313 1.117 20 5 CDBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1COC[C@H]1C ZINC000932493554 682792950 /nfs/dbraw/zinc/79/29/50/682792950.db2.gz HWIRIRCYJYZDKX-MNOVXSKESA-N 0 1 293.323 1.466 20 5 CDBDMN CC[C@@H](CO)NCc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000931775084 682828077 /nfs/dbraw/zinc/82/80/77/682828077.db2.gz QXRXXEDIWGKUHL-VIFPVBQESA-N 0 1 272.276 1.603 20 5 CDBDMN C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839704792 683064708 /nfs/dbraw/zinc/06/47/08/683064708.db2.gz BNWPCXLIMYZMEQ-BXGBBSSXSA-N 0 1 296.298 1.419 20 5 CDBDMN Cc1c(CN[C@@H]2CCC(=O)N(C)C2=O)cccc1[N+](=O)[O-] ZINC000090030364 683214952 /nfs/dbraw/zinc/21/49/52/683214952.db2.gz ZUQVBHPRTKKIFM-LLVKDONJSA-N 0 1 291.307 1.140 20 5 CDBDMN O=[N+]([O-])CCN[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000791054699 683230418 /nfs/dbraw/zinc/23/04/18/683230418.db2.gz PLAUGYWFPMCESJ-AWEZNQCLSA-N 0 1 278.308 1.775 20 5 CDBDMN COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930176251 683241924 /nfs/dbraw/zinc/24/19/24/683241924.db2.gz XIHRMGBBRNFPCH-SNVBAGLBSA-N 0 1 258.318 1.174 20 5 CDBDMN COC(=O)C(C)(C)[C@@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000930176251 683241933 /nfs/dbraw/zinc/24/19/33/683241933.db2.gz XIHRMGBBRNFPCH-SNVBAGLBSA-N 0 1 258.318 1.174 20 5 CDBDMN O=[N+]([O-])c1ccc(CNCCO[C@H]2CCOC2)c(F)c1 ZINC000922939555 683477462 /nfs/dbraw/zinc/47/74/62/683477462.db2.gz GWKQGVLCGSIMAL-LBPRGKRZSA-N 0 1 284.287 1.629 20 5 CDBDMN Cc1ccc(CN2C[C@H](O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000714028980 683584825 /nfs/dbraw/zinc/58/48/25/683584825.db2.gz INJALYPWZCIZGP-GWCFXTLKSA-N 0 1 250.298 1.716 20 5 CDBDMN O=C(Oc1ccc2c(c1)C(=O)CCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000842350659 683788324 /nfs/dbraw/zinc/78/83/24/683788324.db2.gz YQDNLHRNFRKFKS-VXGBXAGGSA-N 0 1 275.260 1.776 20 5 CDBDMN Cc1cccc([C@@H](C)CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839691490 683868501 /nfs/dbraw/zinc/86/85/01/683868501.db2.gz HVGHSRHWEANWQZ-CYZMBNFOSA-N 0 1 262.309 1.880 20 5 CDBDMN CC(C)(CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1F ZINC000839619839 683900671 /nfs/dbraw/zinc/90/06/71/683900671.db2.gz YXAWMISTWUSMPF-BXKDBHETSA-N 0 1 280.299 1.885 20 5 CDBDMN CN(Cn1nccc1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC000170727724 683987504 /nfs/dbraw/zinc/98/75/04/683987504.db2.gz LKYKJWFQEPZGLX-UHFFFAOYSA-N 0 1 250.302 1.869 20 5 CDBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CC2=CCCCC2)C1 ZINC001042704907 684068331 /nfs/dbraw/zinc/06/83/31/684068331.db2.gz BBEPLAJSUJBTHI-ZIAGYGMSSA-N 0 1 293.367 1.295 20 5 CDBDMN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H](C)N(C)C)CC2 ZINC000821706201 684209146 /nfs/dbraw/zinc/20/91/46/684209146.db2.gz QCIFYAOXVDXHLS-SNVBAGLBSA-N 0 1 277.324 1.742 20 5 CDBDMN Cc1c(F)cnc(NCC2CN(C)C2)c1[N+](=O)[O-] ZINC001170252114 1162325022 /nfs/dbraw/zinc/32/50/22/1162325022.db2.gz KGODZYHREKEQGS-UHFFFAOYSA-N 0 1 254.265 1.411 20 5 CDBDMN COC(=O)c1cc(C)nc(NCC2CN(C)C2)c1[N+](=O)[O-] ZINC001170254211 1162325754 /nfs/dbraw/zinc/32/57/54/1162325754.db2.gz XMQLPTNPNREKKX-UHFFFAOYSA-N 0 1 294.311 1.058 20 5 CDBDMN COC(=O)c1ncc([N+](=O)[O-])c(C)c1NCC1CN(C)C1 ZINC001170254554 1162326170 /nfs/dbraw/zinc/32/61/70/1162326170.db2.gz PUVJLKOXQAZDER-UHFFFAOYSA-N 0 1 294.311 1.058 20 5 CDBDMN C[C@H]1COC[C@@H]1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000699781525 1161171955 /nfs/dbraw/zinc/17/19/55/1161171955.db2.gz UBLXWMKLKPBZEE-KWQFWETISA-N 0 1 254.261 1.858 20 5 CDBDMN O=C(N[C@H]1CN2CCC1CC2)c1cc(F)ccc1[N+](=O)[O-] ZINC000037669480 1165783383 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ZINC001600993767 1174696759 /nfs/dbraw/zinc/69/67/59/1174696759.db2.gz XKKUMPUFWRYUAR-UHFFFAOYSA-N 0 1 291.263 1.648 20 5 CDBDMN O=C([O-])[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC001601679496 1174942689 /nfs/dbraw/zinc/94/26/89/1174942689.db2.gz TYLYMEXPVSYHHO-LBPRGKRZSA-N 0 1 291.263 1.689 20 5 CDBDMN CC(C)[N@@H+](C)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001603869335 1175656694 /nfs/dbraw/zinc/65/66/94/1175656694.db2.gz MLKJHAKQMXBHPY-UHFFFAOYSA-N 0 1 282.296 1.898 20 5 CDBDMN O=C([O-])[C@H]1C[C@@H](O)C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC001608601724 1164568109 /nfs/dbraw/zinc/56/81/09/1164568109.db2.gz MFXCYJDXWOTFGQ-DTWKUNHWSA-N 0 1 298.270 1.001 20 5 CDBDMN O=C([O-])[C@H]1C[C@@H](O)C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC001608601724 1164568115 /nfs/dbraw/zinc/56/81/15/1164568115.db2.gz MFXCYJDXWOTFGQ-DTWKUNHWSA-N 0 1 298.270 1.001 20 5 CDBDMN CNC(=O)CN(C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173229412 912320051 /nfs/dbraw/zinc/32/00/51/912320051.db2.gz UQHOFXVHUUCLQI-JTQLQIEISA-N 0 1 265.313 1.204 20 5 CDBDMN C/C=C(\C)C(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001125437572 895486121 /nfs/dbraw/zinc/48/61/21/895486121.db2.gz JDGSLNHACZEDAK-QDEBKDIKSA-N 0 1 277.324 1.767 20 5 CDBDMN CC[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])Oc1ccccc1F ZINC000839697791 936920525 /nfs/dbraw/zinc/92/05/25/936920525.db2.gz IRFRJRNSXKNHQS-HOSYDEDBSA-N 0 1 296.298 1.765 20 5 CDBDMN Cc1cc(C)c([N+](=O)[O-])c(C)c1NC[C@H]1COCCN1 ZINC001170045675 929142177 /nfs/dbraw/zinc/14/21/77/929142177.db2.gz UHBZEGVLBBKPBD-LBPRGKRZSA-N 0 1 279.340 1.920 20 5 CDBDMN CC[C@](N)(CO)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001159743294 930783540 /nfs/dbraw/zinc/78/35/40/930783540.db2.gz HTMQYYCBBHOFBU-CYBMUJFWSA-N 0 1 276.296 1.612 20 5 CDBDMN C[C@@H]1CCC[C@@H](C)N1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000819637352 930829544 /nfs/dbraw/zinc/82/95/44/930829544.db2.gz OYRRMNUWDNGKOZ-HTQZYQBOSA-N 0 1 267.289 1.226 20 5 CDBDMN O=C1NC(=O)[C@@H](Nc2nccc(Cl)c2[N+](=O)[O-])S1 ZINC001155837600 937679964 /nfs/dbraw/zinc/67/99/64/937679964.db2.gz PSHQNZHFHYYIIK-ZETCQYMHSA-N 0 1 288.672 1.364 20 5 CDBDMN C[C@@](N)(C(=O)N[C@@H]1C=CCCC1)c1cccc([N+](=O)[O-])c1 ZINC001119056436 937692260 /nfs/dbraw/zinc/69/22/60/937692260.db2.gz QSAPRZYZLFYWBP-DOMZBBRYSA-N 0 1 289.335 1.994 20 5 CDBDMN COc1cc(-c2noc(-c3[nH]cnc3[N+](=O)[O-])n2)ccn1 ZINC001212893041 934881156 /nfs/dbraw/zinc/88/11/56/934881156.db2.gz JPFAPOSZSKWYAE-UHFFFAOYSA-N 0 1 288.223 1.439 20 5 CDBDMN COc1ccnc(-c2noc(-c3[nH]cnc3[N+](=O)[O-])n2)c1 ZINC001212893338 934881178 /nfs/dbraw/zinc/88/11/78/934881178.db2.gz YVASEXPWKVXWJB-UHFFFAOYSA-N 0 1 288.223 1.439 20 5 CDBDMN O=[N+]([O-])c1ccc(F)cc1OS(=O)(=O)c1c[nH]cn1 ZINC000114211985 935601000 /nfs/dbraw/zinc/60/10/00/935601000.db2.gz ZKXXMYDVKZZWPR-UHFFFAOYSA-N 0 1 287.228 1.225 20 5 CDBDMN CC(C)N1CC(Nc2ccc3[nH]cc([N+](=O)[O-])c3n2)C1 ZINC001157530878 938505460 /nfs/dbraw/zinc/50/54/60/938505460.db2.gz GXBRNBNEOQSMHA-UHFFFAOYSA-N 0 1 275.312 1.976 20 5 CDBDMN Cc1nc(C)c(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)[nH]1 ZINC001160696710 938815827 /nfs/dbraw/zinc/81/58/27/938815827.db2.gz NMBACRBFKROIRW-UHFFFAOYSA-N 0 1 275.268 1.769 20 5 CDBDMN Cc1cnc(N2CC[C@@H](N)C(F)(F)C2)c([N+](=O)[O-])c1 ZINC001166959483 939660304 /nfs/dbraw/zinc/66/03/04/939660304.db2.gz HWMCOJDJUYEVHS-SECBINFHSA-N 0 1 272.255 1.471 20 5 CDBDMN O=C1N=CNC(=O)C1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210395873 940688139 /nfs/dbraw/zinc/68/81/39/940688139.db2.gz GSLNZPDKGPVLDL-UHFFFAOYSA-N 0 1 264.197 1.245 20 5 CDBDMN Nc1ccc2n(C(=O)C3(N)CC3)c3ccccc3cc-2c1=O ZINC001219254029 941322896 /nfs/dbraw/zinc/32/28/96/941322896.db2.gz SCQYSGOOYZXXSW-UHFFFAOYSA-N 0 1 293.326 1.820 20 5 CDBDMN CC(C)[N@@H+]1CC[C@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225666450 941897063 /nfs/dbraw/zinc/89/70/63/941897063.db2.gz IYRMJRSUXNJHNO-VIFPVBQESA-N 0 1 267.285 1.557 20 5 CDBDMN CC(C)[N@H+]1CC[C@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225666450 941897064 /nfs/dbraw/zinc/89/70/64/941897064.db2.gz IYRMJRSUXNJHNO-VIFPVBQESA-N 0 1 267.285 1.557 20 5 CDBDMN O=c1ncc(F)c(O[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)[nH]1 ZINC001225881919 941923453 /nfs/dbraw/zinc/92/34/53/941923453.db2.gz OHANFPGRWNQQGK-SNVBAGLBSA-N 0 1 291.238 1.776 20 5 CDBDMN O=c1nc2[nH]ccc2c(O[C@@H](C[N+](=O)[O-])C2CC2)[nH]1 ZINC001227270946 942161937 /nfs/dbraw/zinc/16/19/37/942161937.db2.gz NMFIDRHELHDPBY-QMMMGPOBSA-N 0 1 264.241 1.098 20 5 CDBDMN CN1CC[C@@H](Oc2cc3n[nH]cc3cc2[N+](=O)[O-])C1 ZINC001230596961 942653591 /nfs/dbraw/zinc/65/35/91/942653591.db2.gz YJVUWRYHUAMVNH-SECBINFHSA-N 0 1 262.269 1.554 20 5 CDBDMN Cc1cc(O)c([N+](=O)[O-])c(O[C@@H]2COC[C@H]2F)n1 ZINC001231259297 942836171 /nfs/dbraw/zinc/83/61/71/942836171.db2.gz JLPGEAXBCQALMD-HTRCEHHLSA-N 0 1 258.205 1.120 20 5 CDBDMN C[C@H](C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)N(C)C ZINC001261908601 946330410 /nfs/dbraw/zinc/33/04/10/946330410.db2.gz SFUMANUPBQOKAT-SECBINFHSA-N 0 1 263.297 1.387 20 5 CDBDMN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1C[C@@H]3C[C@H]1CO3)C2 ZINC001254604335 947552854 /nfs/dbraw/zinc/55/28/54/947552854.db2.gz VPUPHEGPROJPQS-IHRRRGAJSA-N 0 1 260.293 1.535 20 5 CDBDMN Cc1nc(CNC(=O)c2cccc([N+](=O)[O-])c2C)n[nH]1 ZINC001304625409 956213421 /nfs/dbraw/zinc/21/34/21/956213421.db2.gz YOEBLDDMZQXJPR-UHFFFAOYSA-N 0 1 275.268 1.260 20 5 CDBDMN C[C@@](N)(C(=O)N[C@@H]1CC12CCC2)c1cccc([N+](=O)[O-])c1 ZINC001331000390 956750204 /nfs/dbraw/zinc/75/02/04/956750204.db2.gz OTJWCTHSTZXEAC-OCCSQVGLSA-N 0 1 289.335 1.828 20 5 CDBDMN Cc1nn(C[N@@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)c(C)c1[N+](=O)[O-] ZINC001594488864 959676419 /nfs/dbraw/zinc/67/64/19/959676419.db2.gz MLVXWFQWEMQEBC-KWQFWETISA-N 0 1 296.327 1.408 20 5 CDBDMN Cc1nn(C[N@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)c(C)c1[N+](=O)[O-] ZINC001594488864 959676429 /nfs/dbraw/zinc/67/64/29/959676429.db2.gz MLVXWFQWEMQEBC-KWQFWETISA-N 0 1 296.327 1.408 20 5 CDBDMN O=[N+]([O-])CCN[C@@H]1COc2c(F)cc(F)cc2C1 ZINC001335326374 959712779 /nfs/dbraw/zinc/71/27/79/959712779.db2.gz FGHAVCDFVILLCB-VIFPVBQESA-N 0 1 258.224 1.135 20 5 CDBDMN O=c1[nH]ccc(N2CCC(c3nc[nH]n3)CC2)c1[N+](=O)[O-] ZINC001335499814 959846464 /nfs/dbraw/zinc/84/64/64/959846464.db2.gz MRJUUHHOYUKFBD-UHFFFAOYSA-N 0 1 290.283 1.198 20 5 CDBDMN C[C@H](Nc1ccc(N)cc1[N+](=O)[O-])[C@H]1CN(C)CCN1C ZINC001336710151 960490715 /nfs/dbraw/zinc/49/07/15/960490715.db2.gz DCJZVXCJDKCORZ-IINYFYTJSA-N 0 1 293.371 1.223 20 5 CDBDMN Cc1cc(C[C@H](C)Nc2c(C)cncc2[N+](=O)[O-])[nH]n1 ZINC001339629206 962456467 /nfs/dbraw/zinc/45/64/67/962456467.db2.gz PECJSWUUVHLGEU-VIFPVBQESA-N 0 1 275.312 1.795 20 5 CDBDMN O=C([O-])CC1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC001353934101 968355900 /nfs/dbraw/zinc/35/59/00/968355900.db2.gz AWZGYJPAYRLEQS-UHFFFAOYSA-N 0 1 279.296 1.677 20 5 CDBDMN C[C@@]1(C(=O)[O-])CCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001603292983 972562685 /nfs/dbraw/zinc/56/26/85/972562685.db2.gz SJLLUKJVGINHLO-OCCSQVGLSA-N 0 1 294.307 1.567 20 5 CDBDMN C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001604467493 1163192574 /nfs/dbraw/zinc/19/25/74/1163192574.db2.gz LHSPYUKSFPKRSP-SUZMYJTESA-N 0 1 294.307 1.423 20 5 CDBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001593717753 996236689 /nfs/dbraw/zinc/23/66/89/996236689.db2.gz RRECCWIHRYANSP-GMTAPVOTSA-N 0 1 294.307 1.423 20 5 CDBDMN CCOc1cccc(NCCN2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000599199222 343979431 /nfs/dbraw/zinc/97/94/31/343979431.db2.gz HJXZRYRXZGXFBQ-NSHDSACASA-N 0 1 295.339 1.472 20 5 CDBDMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000092940375 342234919 /nfs/dbraw/zinc/23/49/19/342234919.db2.gz NKWNJGOWKOWVIP-SKDRFNHKSA-N 0 1 264.281 1.890 20 5 CDBDMN COc1ccc(NC(=O)[C@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000611890566 346900980 /nfs/dbraw/zinc/90/09/80/346900980.db2.gz QDCNKINJTFGVOL-QMMMGPOBSA-N 0 1 267.285 1.492 20 5 CDBDMN CCn1nc(C)c([N+](=O)[O-])c1N1CCN(CC)[C@H](C)C1 ZINC000619486585 349743777 /nfs/dbraw/zinc/74/37/77/349743777.db2.gz GYHWJJDZLGOICR-SNVBAGLBSA-N 0 1 281.360 1.650 20 5 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CCNC(=O)[C@@H](C)NCc1c(C)ccc([N+](=O)[O-])c1C ZINC000873008661 1165502256 /nfs/dbraw/zinc/50/22/56/1165502256.db2.gz SYXBXWBXXLLPMY-LLVKDONJSA-N 0 1 279.340 1.826 20 5 CDBDMN CN1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000037286128 910661822 /nfs/dbraw/zinc/66/18/22/910661822.db2.gz PTSFZWPKXCWLKE-UHFFFAOYSA-N 0 1 281.287 1.512 20 5 CDBDMN Cc1cccc2c(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])c[nH]c21 ZINC000839688544 936920186 /nfs/dbraw/zinc/92/01/86/936920186.db2.gz DUDQGFIEGJWJMM-CHWSQXEVSA-N 0 1 287.319 1.800 20 5 CDBDMN CCCCCn1cc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)n1 ZINC000839716420 936921154 /nfs/dbraw/zinc/92/11/54/936921154.db2.gz BVBVDDQCUVAILV-CHWSQXEVSA-N 0 1 294.355 1.663 20 5 CDBDMN C[C@@H]1CCC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1C ZINC000839751412 936923353 /nfs/dbraw/zinc/92/33/53/936923353.db2.gz ZXMSJUVTZUVYBO-IYKVGLELSA-N 0 1 254.330 1.840 20 5 CDBDMN CO[C@@]1(C)CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839750835 936923652 /nfs/dbraw/zinc/92/36/52/936923652.db2.gz QSTIRYJNECURFA-FOGDFJRCSA-N 0 1 256.302 1.069 20 5 CDBDMN O=C(N[C@@H]1C[C@H]1c1ccccc1F)[C@@H]1CC1[N+](=O)[O-] ZINC000839800781 936926826 /nfs/dbraw/zinc/92/68/26/936926826.db2.gz WIZZQIWXGJBIFF-LUTQBAROSA-N 0 1 264.256 1.463 20 5 CDBDMN CN1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2cccnc21 ZINC001169026225 927666863 /nfs/dbraw/zinc/66/68/63/927666863.db2.gz WADQZAOOLASDJI-TZMCWYRMSA-N 0 1 290.367 1.779 20 5 CDBDMN Cn1cnc2c1CN([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169047607 927667229 /nfs/dbraw/zinc/66/72/29/927667229.db2.gz RPBWWCWUXTYCLJ-MNOVXSKESA-N 0 1 264.329 1.224 20 5 CDBDMN CC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](O)c1ccccc1F ZINC001150199143 937223157 /nfs/dbraw/zinc/22/31/57/937223157.db2.gz VWOWFVWWUWYNAF-OJAKKHQRSA-N 0 1 296.298 1.419 20 5 CDBDMN C[C@@H](NC(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000859720507 929059086 /nfs/dbraw/zinc/05/90/86/929059086.db2.gz OXNOQWKXDVRCIR-YUSALJHKSA-N 0 1 292.291 1.072 20 5 CDBDMN CCN1CC[C@H]1CNc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000882961835 930111527 /nfs/dbraw/zinc/11/15/27/930111527.db2.gz YZJOCMUJEUZFBT-NSHDSACASA-N 0 1 292.339 1.461 20 5 CDBDMN C[C@@H]1[C@H](CO)CCCN1Cc1cccnc1[N+](=O)[O-] ZINC000886249567 930840045 /nfs/dbraw/zinc/84/00/45/930840045.db2.gz NLSIQDYHCZRGLG-PWSUYJOCSA-N 0 1 265.313 1.583 20 5 CDBDMN CCOc1ccc([N+](=O)[O-])cc1NCc1nnc[nH]1 ZINC001118578950 937643023 /nfs/dbraw/zinc/64/30/23/937643023.db2.gz PQIMNWLBADOZLX-UHFFFAOYSA-N 0 1 263.257 1.724 20 5 CDBDMN O=C([O-])[C@@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC001119540954 937730352 /nfs/dbraw/zinc/73/03/52/937730352.db2.gz MDZPMOLBDJCSLW-NWDGAFQWSA-N 0 1 291.307 1.532 20 5 CDBDMN Cc1nnc(CN)n1-c1cc(C)c2cc([N+](=O)[O-])ccc2n1 ZINC001163346933 939253295 /nfs/dbraw/zinc/25/32/95/939253295.db2.gz WCVGDORWJRXLDB-UHFFFAOYSA-N 0 1 298.306 1.799 20 5 CDBDMN Cc1nc(CNC(=O)NCc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC001222259864 941579629 /nfs/dbraw/zinc/57/96/29/941579629.db2.gz BSSANTMYMHMXFF-UHFFFAOYSA-N 0 1 290.283 1.021 20 5 CDBDMN CC1=C(Oc2ncc([N+](=O)[O-])c3[nH]cnc32)C(=O)O[C@H]1C ZINC001227690911 942205291 /nfs/dbraw/zinc/20/52/91/942205291.db2.gz KZFMEYMYYIMMLA-LURJTMIESA-N 0 1 290.235 1.464 20 5 CDBDMN O=c1nc2cc[nH]c2c(O[C@H](C[N+](=O)[O-])C2CC2)[nH]1 ZINC001227809649 942230145 /nfs/dbraw/zinc/23/01/45/942230145.db2.gz QFKAFSHUFLKGTP-MRVPVSSYSA-N 0 1 264.241 1.098 20 5 CDBDMN O=c1nc2cc([N+](=O)[O-])ccc2c(OC2COC2)[nH]1 ZINC001228240181 942283884 /nfs/dbraw/zinc/28/38/84/942283884.db2.gz HIJHNWPCFBUNJN-UHFFFAOYSA-N 0 1 263.209 1.021 20 5 CDBDMN C[C@@H]1COCC[C@H]1Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-] ZINC001228609157 942342442 /nfs/dbraw/zinc/34/24/42/942342442.db2.gz ACFVPKSVPMSPLG-VXNVDRBHSA-N 0 1 295.295 1.772 20 5 CDBDMN C[C@H]1C[C@H](Oc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])CCO1 ZINC001228610098 942342479 /nfs/dbraw/zinc/34/24/79/942342479.db2.gz OFHWUKFDADAJGR-IONNQARKSA-N 0 1 295.295 1.914 20 5 CDBDMN CCCCOC[C@@H](C)Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229382323 942462006 /nfs/dbraw/zinc/46/20/06/942462006.db2.gz RSTUURONMQCLQY-MRVPVSSYSA-N 0 1 285.300 1.983 20 5 CDBDMN Cc1nc(O[C@@H]2CCO[C@@H](C)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229380312 942462048 /nfs/dbraw/zinc/46/20/48/942462048.db2.gz KSHKOIKLDHZSRD-POYBYMJQSA-N 0 1 269.257 1.345 20 5 CDBDMN Cc1nc(OC[C@@H]2CCCCO2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229382975 942462539 /nfs/dbraw/zinc/46/25/39/942462539.db2.gz XZZKGKGYZWGFQA-QMMMGPOBSA-N 0 1 269.257 1.347 20 5 CDBDMN CC[NH+]1CCC(Oc2nc(C)cc([O-])c2[N+](=O)[O-])CC1 ZINC001231258623 942836325 /nfs/dbraw/zinc/83/63/25/942836325.db2.gz BETJYWZJQCCCPW-UHFFFAOYSA-N 0 1 281.312 1.867 20 5 CDBDMN Cc1cc(O)c([N+](=O)[O-])c(O[C@H](C)c2cncnc2)n1 ZINC001231263422 942837937 /nfs/dbraw/zinc/83/79/37/942837937.db2.gz JNDYJQUVQHYKTE-MRVPVSSYSA-N 0 1 276.252 1.934 20 5 CDBDMN CN1CC[C@H](Oc2cc(F)c([N+](=O)[O-])cc2F)C1 ZINC001233597206 943623763 /nfs/dbraw/zinc/62/37/63/943623763.db2.gz JNLYEFIWLGRPKX-ZETCQYMHSA-N 0 1 258.224 1.956 20 5 CDBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H](F)[C@H](O)C1 ZINC001254550177 947522776 /nfs/dbraw/zinc/52/27/76/947522776.db2.gz DZRWVSFZKDYIJP-MPKXVKKWSA-N 0 1 282.315 1.931 20 5 CDBDMN O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2CCCCN2)n1 ZINC001247803654 948787369 /nfs/dbraw/zinc/78/73/69/948787369.db2.gz TXPLCOOGLOHWTQ-MRVPVSSYSA-N 0 1 293.258 1.994 20 5 CDBDMN O=C([O-])[C@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001594933605 954839007 /nfs/dbraw/zinc/83/90/07/954839007.db2.gz XYBARGIJNSBHQS-ZETCQYMHSA-N 0 1 286.234 1.780 20 5 CDBDMN O=C([O-])[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001594933605 954839018 /nfs/dbraw/zinc/83/90/18/954839018.db2.gz XYBARGIJNSBHQS-ZETCQYMHSA-N 0 1 286.234 1.780 20 5 CDBDMN CC(C)n1ncc2c1[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])CCC2 ZINC001328615557 955376956 /nfs/dbraw/zinc/37/69/56/955376956.db2.gz FMGRBNYCIWWTKJ-GRYCIOLGSA-N 0 1 292.339 1.623 20 5 CDBDMN Cc1cc(C(=O)NC[C@@H](O)c2cnc[nH]2)cc([N+](=O)[O-])c1 ZINC001303580351 956103334 /nfs/dbraw/zinc/10/33/34/956103334.db2.gz AVVQAVLXDDTDOR-GFCCVEGCSA-N 0 1 290.279 1.090 20 5 CDBDMN Cc1c(C(=O)NC[C@H](O)c2cnc[nH]2)cccc1[N+](=O)[O-] ZINC001303580628 956104033 /nfs/dbraw/zinc/10/40/33/956104033.db2.gz HEWAIYTWXVOUMJ-LBPRGKRZSA-N 0 1 290.279 1.090 20 5 CDBDMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774796 958312087 /nfs/dbraw/zinc/31/20/87/958312087.db2.gz IAALVOPFKYVUAR-SSDOTTSWSA-N 0 1 256.233 1.639 20 5 CDBDMN O=[N+]([O-])c1cccc2ncnc(NCCN3CC=CC3)c21 ZINC001320221500 959019412 /nfs/dbraw/zinc/01/94/12/959019412.db2.gz WZALMXIEWYUSRP-UHFFFAOYSA-N 0 1 285.307 1.822 20 5 CDBDMN COCC[N@H+]1CCC[C@@H](Nc2ncc([N+](=O)[O-])c(C)n2)C1 ZINC001334890517 959436738 /nfs/dbraw/zinc/43/67/38/959436738.db2.gz YIMJRYTXMIBMRX-LLVKDONJSA-N 0 1 295.343 1.216 20 5 CDBDMN COCCN1CCC[C@@H](Nc2ncc([N+](=O)[O-])c(C)n2)C1 ZINC001334890517 959436742 /nfs/dbraw/zinc/43/67/42/959436742.db2.gz YIMJRYTXMIBMRX-LLVKDONJSA-N 0 1 295.343 1.216 20 5 CDBDMN C/C(=C\C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C(=O)[O-] ZINC001326813533 961130087 /nfs/dbraw/zinc/13/00/87/961130087.db2.gz XVHFQMTVWOABPF-ONNFQVAWSA-N 0 1 276.292 1.984 20 5 CDBDMN C/C(=C\C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C(=O)[O-] ZINC001326813533 961130091 /nfs/dbraw/zinc/13/00/91/961130091.db2.gz XVHFQMTVWOABPF-ONNFQVAWSA-N 0 1 276.292 1.984 20 5 CDBDMN CC[N@@H+](CCOC)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001596340706 983788487 /nfs/dbraw/zinc/78/84/87/983788487.db2.gz LJIYQCLPXVLMFE-UHFFFAOYSA-N 0 1 282.296 1.761 20 5 CDBDMN C[C@H]1CC[C@H](O)C[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599909170 984962638 /nfs/dbraw/zinc/96/26/38/984962638.db2.gz UDGSYYLQLPLUQZ-CABZTGNLSA-N 0 1 294.307 1.638 20 5 CDBDMN C[C@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@H](C(=O)[O-])C1 ZINC001604757448 1163313128 /nfs/dbraw/zinc/31/31/28/1163313128.db2.gz QHAXXYFBXMUBBN-WPRPVWTQSA-N 0 1 282.300 1.013 20 5 CDBDMN CO[C@]1(C(=O)[O-])CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC001599078258 996929701 /nfs/dbraw/zinc/92/97/01/996929701.db2.gz BCXISKJFPRDIKK-CYBMUJFWSA-N 0 1 298.270 1.409 20 5 CDBDMN CO[C@]1(C(=O)[O-])CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC001599078258 996929715 /nfs/dbraw/zinc/92/97/15/996929715.db2.gz BCXISKJFPRDIKK-CYBMUJFWSA-N 0 1 298.270 1.409 20 5 CDBDMN CC(C)c1[nH]nc(C(=O)N2CCO[C@H]3C[C@H]32)c1[N+](=O)[O-] ZINC000590426060 342545260 /nfs/dbraw/zinc/54/52/60/342545260.db2.gz GJQVGUNQAKUOAJ-SFYZADRCSA-N 0 1 280.284 1.055 20 5 CDBDMN O=[N+]([O-])c1ccsc1NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000590722042 342583846 /nfs/dbraw/zinc/58/38/46/342583846.db2.gz QAIPAZAVKJAINR-AOOOYVTPSA-N 0 1 283.353 1.931 20 5 CDBDMN CN1CC2(C1)CCN(C(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC000618921277 349557056 /nfs/dbraw/zinc/55/70/56/349557056.db2.gz UBEGMJGXDRRSPZ-UHFFFAOYSA-N 0 1 275.308 1.373 20 5 CDBDMN C[N@H+]1CCN(c2ccc([N+](=O)[O-])s2)C[C@@H](C(=O)[O-])C1 ZINC000592981427 342755157 /nfs/dbraw/zinc/75/51/57/342755157.db2.gz ZVPNIUJGIIHAEJ-QMMMGPOBSA-N 0 1 285.325 1.109 20 5 CDBDMN C[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000594389349 342894280 /nfs/dbraw/zinc/89/42/80/342894280.db2.gz HMKHDQCSHLEGGT-SSDOTTSWSA-N 0 1 298.299 1.026 20 5 CDBDMN CO[C@H]1C[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000600774547 342248503 /nfs/dbraw/zinc/24/85/03/342248503.db2.gz FQBGACDCFDHODG-XWEPSHTISA-N 0 1 290.279 1.378 20 5 CDBDMN CCN(Cc1onc(C)c1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000595296619 343027433 /nfs/dbraw/zinc/02/74/33/343027433.db2.gz LOWJRFAGYAYIIK-SNVBAGLBSA-N 0 1 269.301 1.750 20 5 CDBDMN Cc1noc(CN[C@H]2CSC[C@@H]2C)c1[N+](=O)[O-] ZINC000595481287 343065141 /nfs/dbraw/zinc/06/51/41/343065141.db2.gz CRMXGMZEKJKPSA-XPUUQOCRSA-N 0 1 257.315 1.732 20 5 CDBDMN Cc1noc(CN2CCC[C@H](CCO)CC2)c1[N+](=O)[O-] ZINC000595545507 343083693 /nfs/dbraw/zinc/08/36/93/343083693.db2.gz INVOEEZCKGBFCO-NSHDSACASA-N 0 1 283.328 1.876 20 5 CDBDMN CN(Cc1n[nH]c(=O)o1)Cc1ccc([N+](=O)[O-])cc1 ZINC000595546895 343084259 /nfs/dbraw/zinc/08/42/59/343084259.db2.gz KNOLBAAHLAIMLU-UHFFFAOYSA-N 0 1 264.241 1.315 20 5 CDBDMN C[N@H+]1CC[C@@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596111947 343230273 /nfs/dbraw/zinc/23/02/73/343230273.db2.gz FHXFDJUOZDCQNO-QMMMGPOBSA-N 0 1 252.274 1.059 20 5 CDBDMN CC[C@H](NCc1cnnn1C)c1cccc([N+](=O)[O-])c1 ZINC000090224600 342394887 /nfs/dbraw/zinc/39/48/87/342394887.db2.gz ICWIZKXFTVKOFV-ZDUSSCGKSA-N 0 1 275.312 1.964 20 5 CDBDMN Cc1ccc(CN2CC[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000092763598 342418885 /nfs/dbraw/zinc/41/88/85/342418885.db2.gz FVXRYFOKWOTGEA-LBPRGKRZSA-N 0 1 250.298 1.717 20 5 CDBDMN CN(C)C1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000596867138 343406489 /nfs/dbraw/zinc/40/64/89/343406489.db2.gz BEFSGBMVWODMEW-UHFFFAOYSA-N 0 1 263.297 1.305 20 5 CDBDMN CN(C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H]1COCCO1 ZINC000597204688 343473515 /nfs/dbraw/zinc/47/35/15/343473515.db2.gz DEZYUHXLTICXQN-KXQLTZBTSA-N 0 1 292.335 1.955 20 5 CDBDMN CC(C)[C@H]1CNCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000602526186 344453922 /nfs/dbraw/zinc/45/39/22/344453922.db2.gz DDYJVCYWWBQWET-CYBMUJFWSA-N 0 1 277.324 1.665 20 5 CDBDMN CN[C@H](C)c1cn(CCOc2cccc([N+](=O)[O-])c2)nn1 ZINC000603202733 344734175 /nfs/dbraw/zinc/73/41/75/344734175.db2.gz XSBVWVHYJUUZTE-SNVBAGLBSA-N 0 1 291.311 1.546 20 5 CDBDMN Cc1occc1CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610261460 346235268 /nfs/dbraw/zinc/23/52/68/346235268.db2.gz HYPXRMWGZGUPKW-UHFFFAOYSA-N 0 1 297.292 1.370 20 5 CDBDMN C[N@H+]1CC[C@](O)(CNc2sccc2[N+](=O)[O-])C1 ZINC000613049745 347383383 /nfs/dbraw/zinc/38/33/83/347383383.db2.gz XOOOECWKVPYKIP-JTQLQIEISA-N 0 1 257.315 1.135 20 5 CDBDMN CN1CC[C@](O)(CNc2sccc2[N+](=O)[O-])C1 ZINC000613049745 347383385 /nfs/dbraw/zinc/38/33/85/347383385.db2.gz XOOOECWKVPYKIP-JTQLQIEISA-N 0 1 257.315 1.135 20 5 CDBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2nnc[nH]2)c1 ZINC000088147646 179556732 /nfs/dbraw/zinc/55/67/32/179556732.db2.gz YMDOBRPSFDGTFY-UHFFFAOYSA-N 0 1 275.268 1.294 20 5 CDBDMN CNCc1cn(Cc2ccc([N+](=O)[O-])cc2F)nn1 ZINC000311841574 350724698 /nfs/dbraw/zinc/72/46/98/350724698.db2.gz HATHTZDJMZRHIX-UHFFFAOYSA-N 0 1 265.248 1.093 20 5 CDBDMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000092940373 351301981 /nfs/dbraw/zinc/30/19/81/351301981.db2.gz NKWNJGOWKOWVIP-JOYOIKCWSA-N 0 1 264.281 1.890 20 5 CDBDMN Cc1cc(NC(=O)NCCc2nc[nH]n2)ccc1[N+](=O)[O-] ZINC000153735031 188100186 /nfs/dbraw/zinc/10/01/86/188100186.db2.gz CEVHNQQQXNMQCZ-UHFFFAOYSA-N 0 1 290.283 1.386 20 5 CDBDMN CCN(CCO)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000155757927 188226247 /nfs/dbraw/zinc/22/62/47/188226247.db2.gz DHLIPMJLGGIYBL-NSHDSACASA-N 0 1 295.339 1.544 20 5 CDBDMN CN(C)C1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000271700585 191281725 /nfs/dbraw/zinc/28/17/25/191281725.db2.gz HIPFADSNGJJZEW-UHFFFAOYSA-N 0 1 297.742 1.563 20 5 CDBDMN Cc1nc([C@H](C)NC(=O)c2ccccc2[N+](=O)[O-])n[nH]1 ZINC000286331657 356255778 /nfs/dbraw/zinc/25/57/78/356255778.db2.gz KHRGIBOCPIVRST-ZETCQYMHSA-N 0 1 275.268 1.512 20 5 CDBDMN 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CDBDMN COc1cccc2c1CC[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839704324 695809964 /nfs/dbraw/zinc/80/99/64/695809964.db2.gz WKGQERRGZKNRBO-GRYCIOLGSA-N 0 1 276.292 1.464 20 5 CDBDMN CONC(=O)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000877788157 695831004 /nfs/dbraw/zinc/83/10/04/695831004.db2.gz SGPZUUAEQATIFB-UHFFFAOYSA-N 0 1 293.323 1.484 20 5 CDBDMN CC1(C)CNC(=O)[C@@H]1NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000931655241 696053460 /nfs/dbraw/zinc/05/34/60/696053460.db2.gz OWLLWGOIWJHOSK-NSHDSACASA-N 0 1 281.287 1.348 20 5 CDBDMN O=[N+]([O-])c1cc(CNCCO[C@H]2CCOC2)cs1 ZINC000922938840 1161536074 /nfs/dbraw/zinc/53/60/74/1161536074.db2.gz JCAVRRAZYYMNTF-JTQLQIEISA-N 0 1 272.326 1.551 20 5 CDBDMN O=C(COc1cc([N+](=O)[O-])ccc1Cl)N1CCNCC1 ZINC000070981943 1171695786 /nfs/dbraw/zinc/69/57/86/1171695786.db2.gz MTIQRPFUIIYDQK-UHFFFAOYSA-N 0 1 299.714 1.059 20 5 CDBDMN CCc1ccccc1Cn1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 ZINC001590897903 1173536502 /nfs/dbraw/zinc/53/65/02/1173536502.db2.gz 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270.289 1.253 20 5 CDBDMN CC[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(C)(C)O ZINC000293925032 375435641 /nfs/dbraw/zinc/43/56/41/375435641.db2.gz HHBXKIDBNSJNDK-NSHDSACASA-N 0 1 282.296 1.580 20 5 CDBDMN O=C(NCc1ccc(F)cn1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356803309 375863086 /nfs/dbraw/zinc/86/30/86/375863086.db2.gz LQDZOJWSFSSARD-UHFFFAOYSA-N 0 1 291.238 1.765 20 5 CDBDMN CS[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])C(C)(C)C ZINC000345277624 377762723 /nfs/dbraw/zinc/76/27/23/377762723.db2.gz MKSZULOYOQDVCZ-QMMMGPOBSA-N 0 1 286.357 1.825 20 5 CDBDMN O=C(CNc1ccccc1[N+](=O)[O-])NCc1cnc[nH]1 ZINC000443372943 250026350 /nfs/dbraw/zinc/02/63/50/250026350.db2.gz VNPDRGHOSNCCJS-UHFFFAOYSA-N 0 1 275.268 1.046 20 5 CDBDMN CNC(=O)CC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000175036756 379626963 /nfs/dbraw/zinc/62/69/63/379626963.db2.gz RZZYJVXIMILWGH-UHFFFAOYSA-N 0 1 291.351 1.943 20 5 CDBDMN COC[C@H](CNCc1cc(Cl)ccc1[N+](=O)[O-])OC ZINC000227704639 274048891 /nfs/dbraw/zinc/04/88/91/274048891.db2.gz ZYWCXIJBCBNONV-NSHDSACASA-N 0 1 288.731 1.999 20 5 CDBDMN O=C(C=Cc1cccc([N+](=O)[O-])c1)N1CCc2[nH]nnc2C1 ZINC000491915886 253120169 /nfs/dbraw/zinc/12/01/69/253120169.db2.gz QFGCEIZPYDQBRL-PLNGDYQASA-N 0 1 299.290 1.311 20 5 CDBDMN CO[C@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000281684878 195336960 /nfs/dbraw/zinc/33/69/60/195336960.db2.gz FPDVLOFEXQNCGB-ZANVPECISA-N 0 1 294.307 1.940 20 5 CDBDMN CC(C)c1[nH]nc(C(=O)N2CCCC2)c1[N+](=O)[O-] ZINC000269316767 390417799 /nfs/dbraw/zinc/41/77/99/390417799.db2.gz HSCYBHQGTQQGBH-UHFFFAOYSA-N 0 1 252.274 1.677 20 5 CDBDMN CC[C@@H](CO)N(C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000451157124 390602021 /nfs/dbraw/zinc/60/20/21/390602021.db2.gz HBNDSZKDJUSZJI-NSHDSACASA-N 0 1 268.313 1.806 20 5 CDBDMN O=[N+]([O-])c1cnc(N[C@H]2CCCN(CCCO)C2)c(F)c1 ZINC000413326672 391199460 /nfs/dbraw/zinc/19/94/60/391199460.db2.gz LROVBCTWBYDQJJ-JTQLQIEISA-N 0 1 298.318 1.388 20 5 CDBDMN C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1(C(=O)[O-])CCCC1 ZINC000595279932 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COC[C@@]1(CO)CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000449699724 393139786 /nfs/dbraw/zinc/13/97/86/393139786.db2.gz PCARPUXGPLHBQH-AWEZNQCLSA-N 0 1 280.324 1.426 20 5 CDBDMN C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[C@H]1O ZINC000251669368 140311105 /nfs/dbraw/zinc/31/11/05/140311105.db2.gz LPAUCAJUUVMWHK-GXFFZTMASA-N 0 1 250.298 1.798 20 5 CDBDMN CN(Cc1ccnn1C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000352536497 155256684 /nfs/dbraw/zinc/25/66/84/155256684.db2.gz GFFYHZRDJUOAIN-UHFFFAOYSA-N 0 1 290.279 1.306 20 5 CDBDMN O=C(NCc1cnc[nH]1)c1csc([N+](=O)[O-])c1 ZINC000359679648 158333127 /nfs/dbraw/zinc/33/31/27/158333127.db2.gz JWSUSQHXQGKHEC-UHFFFAOYSA-N 0 1 252.255 1.309 20 5 CDBDMN O=[N+]([O-])c1cccc(CN2CCC3(CC2)OCCO3)c1 ZINC000026933258 171503058 /nfs/dbraw/zinc/50/30/58/171503058.db2.gz OPBWZBQMMKHLHK-UHFFFAOYSA-N 0 1 278.308 1.934 20 5 CDBDMN COc1ccc(CNCc2c(C)cnn2C)cc1[N+](=O)[O-] ZINC000285420864 196278607 /nfs/dbraw/zinc/27/86/07/196278607.db2.gz JRLAANJBAGUBMD-UHFFFAOYSA-N 0 1 290.323 1.935 20 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DXQCSBCDUROTKL-UHFFFAOYSA-N 0 1 263.301 1.059 20 5 CDBDMN CC(C)c1[nH]nc(C(=O)N2CCCOCC2)c1[N+](=O)[O-] ZINC000408392327 276040519 /nfs/dbraw/zinc/04/05/19/276040519.db2.gz BHQWQHFQFSLZLN-UHFFFAOYSA-N 0 1 282.300 1.304 20 5 CDBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@H](C)[C@@H]2CO)c1[N+](=O)[O-] ZINC000276082513 278000645 /nfs/dbraw/zinc/00/06/45/278000645.db2.gz XEYBXTCAVQRYDT-IUCAKERBSA-N 0 1 296.327 1.284 20 5 CDBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000294181842 278001415 /nfs/dbraw/zinc/00/14/15/278001415.db2.gz PYDIRLJUVOFSTI-SFYZADRCSA-N 0 1 266.301 1.922 20 5 CDBDMN C[C@@H]1C[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000245505762 280215327 /nfs/dbraw/zinc/21/53/27/280215327.db2.gz MPTSPXWBKGSTFN-RNLVFQAGSA-N 0 1 268.273 1.004 20 5 CDBDMN O=[N+]([O-])c1cccnc1N1CC[C@@H](c2nc[nH]n2)C1 ZINC000425291285 280376506 /nfs/dbraw/zinc/37/65/06/280376506.db2.gz ZRNRUPFFVWYAJA-MRVPVSSYSA-N 0 1 260.257 1.102 20 5 CDBDMN COc1ccc([N+](=O)[O-])c(C(=O)N2CCNC(C)(C)C2)c1 ZINC000423715911 280761889 /nfs/dbraw/zinc/76/18/89/280761889.db2.gz ZSGZQKPANTZWTO-UHFFFAOYSA-N 0 1 293.323 1.427 20 5 CDBDMN C[C@@H]1C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CO1 ZINC000570846482 294321904 /nfs/dbraw/zinc/32/19/04/294321904.db2.gz BIRPDWBEUPUSOV-VXNVDRBHSA-N 0 1 266.253 1.208 20 5 CDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC(C(F)(F)F)C1 ZINC000577033708 317251519 /nfs/dbraw/zinc/25/15/19/317251519.db2.gz KCXWSYGWBXCOCJ-UHFFFAOYSA-N 0 1 290.197 1.935 20 5 CDBDMN C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000577377181 317317810 /nfs/dbraw/zinc/31/78/10/317317810.db2.gz FDHYZBNAAQFBAB-IUCAKERBSA-N 0 1 294.311 1.217 20 5 CDBDMN C[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)c1nnc[nH]1 ZINC000182500833 323283961 /nfs/dbraw/zinc/28/39/61/323283961.db2.gz AVZNBWHSHSNXPU-QMMMGPOBSA-N 0 1 290.283 1.273 20 5 CDBDMN CCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(=O)[O-] ZINC000184923478 521669571 /nfs/dbraw/zinc/66/95/71/521669571.db2.gz JXKLQKHPMNCEQO-UHFFFAOYSA-N 0 1 282.296 1.770 20 5 CDBDMN Cc1c(CNC(=O)N2CCNCC2)cccc1[N+](=O)[O-] ZINC000418079206 533854555 /nfs/dbraw/zinc/85/45/55/533854555.db2.gz KMDWLOAAHIJDRX-UHFFFAOYSA-N 0 1 278.312 1.018 20 5 CDBDMN COc1nc(C)c(-n2c(C)cnc2CN)cc1[N+](=O)[O-] ZINC001169029438 1161997561 /nfs/dbraw/zinc/99/75/61/1161997561.db2.gz PKCIJLYBNCZUNT-UHFFFAOYSA-N 0 1 277.284 1.260 20 5 CDBDMN Cc1cc(NC[C@@H]2CN(C)CCN2C)ccc1[N+](=O)[O-] ZINC000068806814 525275264 /nfs/dbraw/zinc/27/52/64/525275264.db2.gz QTUJZPODLLLJSM-CYBMUJFWSA-N 0 1 278.356 1.561 20 5 CDBDMN C[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])c1nnc[nH]1 ZINC000226500610 525681559 /nfs/dbraw/zinc/68/15/59/525681559.db2.gz HIPVQXLTMCIZMR-YFKPBYRVSA-N 0 1 268.664 1.934 20 5 CDBDMN Cc1ncc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cn1 ZINC000356512133 527298859 /nfs/dbraw/zinc/29/88/59/527298859.db2.gz LQEQXJWKFVXQSI-UHFFFAOYSA-N 0 1 274.236 1.651 20 5 CDBDMN CCc1[nH]nc(C(=O)N(C)Cc2ccccn2)c1[N+](=O)[O-] ZINC000264122119 535997351 /nfs/dbraw/zinc/99/73/51/535997351.db2.gz FHUNUHGWQCRGLI-UHFFFAOYSA-N 0 1 289.295 1.548 20 5 CDBDMN Cc1noc([C@H](C)OC(=O)c2ccc([N+](=O)[O-])[nH]2)n1 ZINC000732515715 575090947 /nfs/dbraw/zinc/09/09/47/575090947.db2.gz ZWZYKHTXRMGLGL-YFKPBYRVSA-N 0 1 266.213 1.532 20 5 CDBDMN Cc1nc(COC(=O)COc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000770640619 575479947 /nfs/dbraw/zinc/47/99/47/575479947.db2.gz NHTJRJWGKIWOEQ-UHFFFAOYSA-N 0 1 292.251 1.144 20 5 CDBDMN C[C@@H]1CN(C)[C@@H](C)CN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000768528306 576293532 /nfs/dbraw/zinc/29/35/32/576293532.db2.gz XMKOYOANBBOYAS-WDEREUQCSA-N 0 1 289.339 1.771 20 5 CDBDMN COC[C@@H]1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000739867366 576391515 /nfs/dbraw/zinc/39/15/15/576391515.db2.gz BGDYXANWHWKYNB-LLVKDONJSA-N 0 1 290.323 1.870 20 5 CDBDMN O=C([O-])[C@@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000821510615 597431338 /nfs/dbraw/zinc/43/13/38/597431338.db2.gz UYUGOVCQJIFXBK-STQMWFEESA-N 0 1 294.307 1.567 20 5 CDBDMN COc1c(O)ccc(CN2CC[C@H]([C@H](C)O)C2)c1[N+](=O)[O-] 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CN1CC[C@@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000921681489 633161593 /nfs/dbraw/zinc/16/15/93/633161593.db2.gz XDMMSXKCNDKYSL-CYBMUJFWSA-N 0 1 292.339 1.141 20 5 CDBDMN CCC1C[NH+](Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001605178667 1163477576 /nfs/dbraw/zinc/47/75/76/1163477576.db2.gz KFLSHXDJSDOWCJ-UHFFFAOYSA-N 0 1 294.307 1.900 20 5 CDBDMN C[NH+](C)CCSc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591021497 1173563409 /nfs/dbraw/zinc/56/34/09/1173563409.db2.gz MVQPKDDOKHEDIT-UHFFFAOYSA-N 0 1 294.340 1.429 20 5 CDBDMN C[NH+](C)CCSc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001591021497 1173563413 /nfs/dbraw/zinc/56/34/13/1173563413.db2.gz MVQPKDDOKHEDIT-UHFFFAOYSA-N 0 1 294.340 1.429 20 5 CDBDMN CN1CCO[C@H]2CN(c3nccc(Cl)c3[N+](=O)[O-])C[C@@H]21 ZINC001164667992 719372676 /nfs/dbraw/zinc/37/26/76/719372676.db2.gz MKTYNTONIGOSQD-UWVGGRQHSA-N 0 1 298.730 1.162 20 5 CDBDMN CCN(CCC(=O)NC)Cc1ccc([N+](=O)[O-])cc1F ZINC000933867097 735308225 /nfs/dbraw/zinc/30/82/25/735308225.db2.gz GXALXOOQVJOGHH-UHFFFAOYSA-N 0 1 283.303 1.692 20 5 CDBDMN C[C@@H](CN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])c1nccs1 ZINC000839724873 735442062 /nfs/dbraw/zinc/44/20/62/735442062.db2.gz GBIGBPHEEZVVNC-DJLDLDEBSA-N 0 1 269.326 1.370 20 5 CDBDMN Cc1ccc(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1C ZINC000855615390 735512798 /nfs/dbraw/zinc/51/27/98/735512798.db2.gz GMADYCPTYRXDHY-CHWSQXEVSA-N 0 1 262.309 1.627 20 5 CDBDMN C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839685097 735740743 /nfs/dbraw/zinc/74/07/43/735740743.db2.gz NJEWVAKAFCRWKQ-PZWNZHSQSA-N 0 1 252.314 1.831 20 5 CDBDMN CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839643577 735779911 /nfs/dbraw/zinc/77/99/11/735779911.db2.gz LTRISBGRUHMAHF-YNEHKIRRSA-N 0 1 262.309 1.789 20 5 CDBDMN C[C@H]1C[C@H](C(=O)OCc2cc(O)ccc2[N+](=O)[O-])CO1 ZINC000837655309 736253903 /nfs/dbraw/zinc/25/39/03/736253903.db2.gz FOYMMNOFDMKDFQ-WPRPVWTQSA-N 0 1 281.264 1.769 20 5 CDBDMN C[C@@]1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1(Cl)Cl 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O=C(NOC1CCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000812791323 733898254 /nfs/dbraw/zinc/89/82/54/733898254.db2.gz RZNWJEKNZASPQG-UHFFFAOYSA-N 0 1 252.226 1.514 20 5 CDBDMN COCC1=CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000775826833 733953151 /nfs/dbraw/zinc/95/31/51/733953151.db2.gz NEKBQUYYCKPGCO-HNNXBMFYSA-N 0 1 292.335 1.907 20 5 CDBDMN O=C(NOCC(F)(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780648812 734006512 /nfs/dbraw/zinc/00/65/12/734006512.db2.gz ISBWYRWDKPODAS-UHFFFAOYSA-N 0 1 280.158 1.524 20 5 CDBDMN O=C(NC[C@@H]1C[C@H]1C1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839779405 734119195 /nfs/dbraw/zinc/11/91/95/734119195.db2.gz XQQLRSQBPZEHCG-WUHRBBMRSA-N 0 1 266.341 1.984 20 5 CDBDMN O=[N+]([O-])CCN[C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000930341757 734203234 /nfs/dbraw/zinc/20/32/34/734203234.db2.gz KHPFSQCIYNSREL-ZDUSSCGKSA-N 0 1 284.743 1.908 20 5 CDBDMN CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839719393 734751668 /nfs/dbraw/zinc/75/16/68/734751668.db2.gz 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735018510 /nfs/dbraw/zinc/01/85/10/735018510.db2.gz CMZCVIQJPHRYCR-RNFRBKRXSA-N 0 1 284.341 1.117 20 5 CDBDMN CC[C@@](C)(NC(=O)[C@@H]1CC1[N+](=O)[O-])c1nc(C)cs1 ZINC000840362118 735175425 /nfs/dbraw/zinc/17/54/25/735175425.db2.gz BAWCAERQKYAOOJ-KBVBSXBZSA-N 0 1 283.353 1.858 20 5 CDBDMN CN1CCCC[C@@H](COC(=O)c2ccc([N+](=O)[O-])[nH]2)C1=O ZINC000851557626 735262348 /nfs/dbraw/zinc/26/23/48/735262348.db2.gz HZZBSAVMRPXIBC-VIFPVBQESA-N 0 1 295.295 1.338 20 5 CDBDMN O=C(Nc1ccc([C@@H]2CCOC2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839779686 735263649 /nfs/dbraw/zinc/26/36/49/735263649.db2.gz KUQDMUVAKHDXLN-RAIGVLPGSA-N 0 1 276.292 1.794 20 5 CDBDMN CON(C)C(=O)[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000858583832 735668399 /nfs/dbraw/zinc/66/83/99/735668399.db2.gz HMEUKKHDBWFBBJ-NXEZZACHSA-N 0 1 281.312 1.654 20 5 CDBDMN Cc1cccc(N2CCN(CCCCO)CC2)c1[N+](=O)[O-] ZINC000782351262 735878189 /nfs/dbraw/zinc/87/81/89/735878189.db2.gz ZIQNNIAFFCPKHX-UHFFFAOYSA-N 0 1 293.367 1.798 20 5 CDBDMN 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KPYMHIYXMSWREQ-MDZLAQPJSA-N 0 1 298.339 1.028 20 5 CDBDMN CCOC(=O)[C@@H]1CCCN1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039888 927653589 /nfs/dbraw/zinc/65/35/89/927653589.db2.gz VJQGJFYWLCCTAO-UTUOFQBUSA-N 0 1 270.329 1.459 20 5 CDBDMN O=C(Cc1ccn[nH]1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116150422 937433289 /nfs/dbraw/zinc/43/32/89/937433289.db2.gz LJROLPUWKJOCJV-UHFFFAOYSA-N 0 1 272.264 1.403 20 5 CDBDMN COC(=O)C[C@H](NCc1cccnc1[N+](=O)[O-])C1CC1 ZINC000886127922 930810151 /nfs/dbraw/zinc/81/01/51/930810151.db2.gz XKUFXELQVBIGKK-NSHDSACASA-N 0 1 279.296 1.421 20 5 CDBDMN O=[N+]([O-])c1cc(Cl)ccc1CNCc1c[nH]nn1 ZINC001308873554 931984247 /nfs/dbraw/zinc/98/42/47/931984247.db2.gz HNHQOVSZCPFFKB-UHFFFAOYSA-N 0 1 267.676 1.656 20 5 CDBDMN CCc1[nH]nc(C(=O)N2C3CCC2(CO)CC3)c1[N+](=O)[O-] ZINC001156344709 938354959 /nfs/dbraw/zinc/35/49/59/938354959.db2.gz NMHGAWLUQJPIRA-UHFFFAOYSA-N 0 1 294.311 1.010 20 5 CDBDMN Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2CCC[NH2+]C2)n1 ZINC001218285150 941051536 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C[C@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CCN1 ZINC000262613939 131241326 /nfs/dbraw/zinc/24/13/26/131241326.db2.gz ZKCUARKGZXTEDH-NSHDSACASA-N 0 1 293.323 1.184 20 5 CDBDMN C[C@H](O)CC(C)(C)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269219913 132133926 /nfs/dbraw/zinc/13/39/26/132133926.db2.gz ZZZQJSNIVMCBIW-VIFPVBQESA-N 0 1 296.323 1.827 20 5 CDBDMN O=C(NO[C@H]1CCCCO1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269218983 132134268 /nfs/dbraw/zinc/13/42/68/132134268.db2.gz ZPUBXBHEDGZZGL-NSHDSACASA-N 0 1 282.252 1.488 20 5 CDBDMN CCO[C@@H]1COC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000449721959 393140087 /nfs/dbraw/zinc/14/00/87/393140087.db2.gz UZDSUCKIBAGWAW-CHWSQXEVSA-N 0 1 266.297 1.488 20 5 CDBDMN C[C@H](O)CN1CCN(c2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000275336564 135105157 /nfs/dbraw/zinc/10/51/57/135105157.db2.gz GUZLISAGCICIGK-MNOVXSKESA-N 0 1 297.330 1.625 20 5 CDBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000186580251 140064593 /nfs/dbraw/zinc/06/45/93/140064593.db2.gz 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/nfs/dbraw/zinc/33/11/79/279331179.db2.gz LHWRMWLBWQVGFG-QPJJXVBHSA-N 0 1 273.252 1.673 20 5 CDBDMN Cc1n[nH]c(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000112702271 279331180 /nfs/dbraw/zinc/33/11/80/279331180.db2.gz LHWRMWLBWQVGFG-QPJJXVBHSA-N 0 1 273.252 1.673 20 5 CDBDMN C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H](C)S1 ZINC000159852823 292771999 /nfs/dbraw/zinc/77/19/99/292771999.db2.gz LCPVSXATPDIPNL-GHMZBOCLSA-N 0 1 297.380 1.582 20 5 CDBDMN O=C(NCc1cccc(C(F)(F)F)n1)[C@@H]1CC1[N+](=O)[O-] ZINC000839780884 735283269 /nfs/dbraw/zinc/28/32/69/735283269.db2.gz GLAQTQBXMFZKEO-HTQZYQBOSA-N 0 1 289.213 1.382 20 5 CDBDMN CCn1c(C)nc([N+](=O)[O-])c1NCCN1CCCOCC1 ZINC000340871244 523143016 /nfs/dbraw/zinc/14/30/16/523143016.db2.gz ONKBCWJGVQCCQM-UHFFFAOYSA-N 0 1 297.359 1.254 20 5 CDBDMN CC(C)c1[nH]nc(C(=O)N(C)C2CC2)c1[N+](=O)[O-] ZINC000269367175 535319582 /nfs/dbraw/zinc/31/95/82/535319582.db2.gz KXQSLASMEBMNBE-UHFFFAOYSA-N 0 1 252.274 1.676 20 5 CDBDMN Cc1cc(Oc2nccnc2-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC000737278909 575932568 /nfs/dbraw/zinc/93/25/68/575932568.db2.gz GCEUYQXMYUKYSZ-UHFFFAOYSA-N 0 1 299.250 1.666 20 5 CDBDMN O=C([O-])[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000821511867 597369049 /nfs/dbraw/zinc/36/90/49/597369049.db2.gz UKPZPGIJZZAFOL-PWSUYJOCSA-N 0 1 280.280 1.035 20 5 CDBDMN O=C(Nc1ccnc(Cl)c1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000891512591 617453898 /nfs/dbraw/zinc/45/38/98/617453898.db2.gz QCSGSJUHKDFQEZ-INEUFUBQSA-N 0 1 259.624 1.478 20 5 CDBDMN CC(C)C[C@@H]1COCC[C@@H]1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000893494846 617993338 /nfs/dbraw/zinc/99/33/38/617993338.db2.gz TZIUHDDTKOPESZ-KKOKHZNYSA-N 0 1 271.313 1.646 20 5 CDBDMN Cc1cc(N)nc(N(C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000893817637 618057029 /nfs/dbraw/zinc/05/70/29/618057029.db2.gz SDKGQYKMNCYMPG-UHFFFAOYSA-N 0 1 287.323 1.954 20 5 CDBDMN O=C(OCc1ccnc(Cl)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000840670522 618382805 /nfs/dbraw/zinc/38/28/05/618382805.db2.gz HNLMAMWGYXUDOE-HTQZYQBOSA-N 0 1 256.645 1.443 20 5 CDBDMN C[C@H](Nc1c(F)cccc1[N+](=O)[O-])[C@H]1CN(C)CCN1C ZINC000895247135 619492981 /nfs/dbraw/zinc/49/29/81/619492981.db2.gz TUDRQTSDXFYBAW-GXFFZTMASA-N 0 1 296.346 1.780 20 5 CDBDMN CN1CCC[C@H]1Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000917082907 632144493 /nfs/dbraw/zinc/14/44/93/632144493.db2.gz YBQPNAYKFNIUAP-QMMMGPOBSA-N 0 1 271.704 1.504 20 5 CDBDMN COC1(C(F)(F)F)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000841450927 633032896 /nfs/dbraw/zinc/03/28/96/633032896.db2.gz TYYNTIODVWEZJD-HTQZYQBOSA-N 0 1 296.245 1.222 20 5 CDBDMN CC(C)NC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867941867 1164885410 /nfs/dbraw/zinc/88/54/10/1164885410.db2.gz KQAKPFNAEKPXNK-LBPRGKRZSA-N 0 1 251.286 1.293 20 5 CDBDMN CC(C)[C@@H]1CNCCN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC001575509699 1171188486 /nfs/dbraw/zinc/18/84/86/1171188486.db2.gz AYYMTTMYJCGDAA-ZDUSSCGKSA-N 0 1 295.314 1.804 20 5 CDBDMN CC(C)SCCn1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 ZINC001589761645 1173175798 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Cc1ccc(-c2cc(C(=O)OC[C@H](C)[N+](=O)[O-])[nH]n2)o1 ZINC000813113141 740291653 /nfs/dbraw/zinc/29/16/53/740291653.db2.gz NYXAWTSTMJJBGH-ZETCQYMHSA-N 0 1 279.252 1.800 20 5 CDBDMN CCCN1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865404376 740441204 /nfs/dbraw/zinc/44/12/04/740441204.db2.gz GCJDZPXKDHKGMJ-UHFFFAOYSA-N 0 1 297.330 1.758 20 5 CDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N(CC1CCC1)CC(F)(F)F ZINC000840381760 740841118 /nfs/dbraw/zinc/84/11/18/740841118.db2.gz KFQXNNQIXJFFFL-RKDXNWHRSA-N 0 1 280.246 1.843 20 5 CDBDMN O=[N+]([O-])c1cc(F)c(CN[C@H](CO)C2CC2)c(F)c1 ZINC000795992510 740848412 /nfs/dbraw/zinc/84/84/12/740848412.db2.gz KJHSHAZQSVYWFZ-GFCCVEGCSA-N 0 1 272.251 1.734 20 5 CDBDMN O=[N+]([O-])CCN1CC[C@H](OCCCc2ccccc2)C1 ZINC000929805580 741078108 /nfs/dbraw/zinc/07/81/08/741078108.db2.gz FXADRVADXVFKKN-HNNXBMFYSA-N 0 1 278.352 1.987 20 5 CDBDMN Cn1ccc2ccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc21 ZINC000839573002 741168823 /nfs/dbraw/zinc/16/88/23/741168823.db2.gz 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C[C@H](Cc1ccccc1[N+](=O)[O-])NCC(=O)CCO ZINC001254541773 947519358 /nfs/dbraw/zinc/51/93/58/947519358.db2.gz KBVNOFZLPDTEBF-SNVBAGLBSA-N 0 1 266.297 1.067 20 5 CDBDMN O=C([O-])[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000250264777 950007168 /nfs/dbraw/zinc/00/71/68/950007168.db2.gz WHVNGGIQHDBDTG-DGCLKSJQSA-N 0 1 294.307 1.425 20 5 CDBDMN C[C@@](N)(C(=O)NC[C@@H]1C=CCC1)c1cccc([N+](=O)[O-])c1 ZINC001332015772 957401637 /nfs/dbraw/zinc/40/16/37/957401637.db2.gz XZACHRXBEYMTNU-ABAIWWIYSA-N 0 1 289.335 1.851 20 5 CDBDMN CC(C)CNCc1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC001332360949 957531011 /nfs/dbraw/zinc/53/10/11/957531011.db2.gz XJILBNBTAJCHJB-UHFFFAOYSA-N 0 1 291.311 1.973 20 5 CDBDMN O=C(CCc1cccc([N+](=O)[O-])c1)OCc1nnc[nH]1 ZINC001333213228 958156736 /nfs/dbraw/zinc/15/67/36/958156736.db2.gz WWBIWQPQHBYSEW-UHFFFAOYSA-N 0 1 276.252 1.389 20 5 CDBDMN Cc1nn(C)c(N2CCN(C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC001337563203 961281024 /nfs/dbraw/zinc/28/10/24/961281024.db2.gz LVLIUNLICFXAQW-UHFFFAOYSA-N 0 1 281.360 1.557 20 5 CDBDMN O=C([O-])C[C@H]1CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC001350635625 966723313 /nfs/dbraw/zinc/72/33/13/966723313.db2.gz FHJOFNDWIKNMMK-SNVBAGLBSA-N 0 1 265.269 1.429 20 5 CDBDMN CN(C)C1(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001350803777 966767583 /nfs/dbraw/zinc/76/75/83/966767583.db2.gz UCJAUJLOSSULMA-UHFFFAOYSA-N 0 1 275.308 1.531 20 5 CDBDMN C[N@H+]1CC[C@H]1CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000710050279 977476770 /nfs/dbraw/zinc/47/67/70/977476770.db2.gz OHYHDUBNOJZJSA-VIFPVBQESA-N 0 1 265.269 1.409 20 5 CDBDMN C[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])CC(C)(C)CO ZINC001598506941 992516959 /nfs/dbraw/zinc/51/69/59/992516959.db2.gz IJJBDPOFRGYOSH-UHFFFAOYSA-N 0 1 296.323 1.743 20 5 CDBDMN COc1c(O)ccc(C[N@@H+](CC(=O)[O-])C2CC2)c1[N+](=O)[O-] ZINC001599345816 998002961 /nfs/dbraw/zinc/00/29/61/998002961.db2.gz ZHPCGPCQPIMSEL-UHFFFAOYSA-N 0 1 296.279 1.358 20 5 CDBDMN O=[N+]([O-])c1cn(C/C(Cl)=C\Cl)nc1-c1nn[nH]n1 ZINC001593486694 1174085183 /nfs/dbraw/zinc/08/51/83/1174085183.db2.gz HRTZEHZNBHRMRP-DAFODLJHSA-N 0 1 290.070 1.290 20 5 CDBDMN C[C@](N)(C(=O)NC1CC=CC1)c1cccc([N+](=O)[O-])c1 ZINC001576080675 1171327906 /nfs/dbraw/zinc/32/79/06/1171327906.db2.gz FPUOLUFUWKNPHH-CQSZACIVSA-N 0 1 275.308 1.604 20 5 CDBDMN C[C@@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1nnc[nH]1 ZINC000235183912 342048743 /nfs/dbraw/zinc/04/87/43/342048743.db2.gz BESVMYPXKGAJRT-RKDXNWHRSA-N 0 1 289.295 1.694 20 5 CDBDMN CC1(C)CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000618952176 349563724 /nfs/dbraw/zinc/56/37/24/349563724.db2.gz YBSNTKLLWMZXRX-LBPRGKRZSA-N 0 1 280.324 1.676 20 5 CDBDMN O=[N+]([O-])c1ccc2ncnc(NCCN3CCC3)c2c1 ZINC000611712469 346856172 /nfs/dbraw/zinc/85/61/72/346856172.db2.gz MWIWVAGFZBXEGX-UHFFFAOYSA-N 0 1 273.296 1.078 20 5 CDBDMN C[C@H](Nc1c(Cl)cncc1[N+](=O)[O-])c1nnc[nH]1 ZINC000306108156 342186360 /nfs/dbraw/zinc/18/63/60/342186360.db2.gz UHQNYTWHKZHSOS-YFKPBYRVSA-N 0 1 268.664 1.934 20 5 CDBDMN 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COC[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000115295422 342429382 /nfs/dbraw/zinc/42/93/82/342429382.db2.gz SNWOIWGSVGMYFZ-GFCCVEGCSA-N 0 1 279.340 1.752 20 5 CDBDMN O=C(NCCCc1ccco1)c1n[nH]cc1[N+](=O)[O-] ZINC000598439295 343797068 /nfs/dbraw/zinc/79/70/68/343797068.db2.gz IFFUNWGTHHZMTD-UHFFFAOYSA-N 0 1 264.241 1.274 20 5 CDBDMN CCO[C@@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])C[C@@H]1C ZINC000602684079 344530207 /nfs/dbraw/zinc/53/02/07/344530207.db2.gz FNBSWTOMOPDGOB-CMPLNLGQSA-N 0 1 282.344 1.575 20 5 CDBDMN O=C1C[C@H]2CC[C@@H](CN1)N2Cc1cc(O)ccc1[N+](=O)[O-] ZINC000611274148 346732961 /nfs/dbraw/zinc/73/29/61/346732961.db2.gz XOHCUMJTMJNRHI-MNOVXSKESA-N 0 1 291.307 1.153 20 5 CDBDMN CCNCc1cn(Cc2ccc(OC)c([N+](=O)[O-])c2)nn1 ZINC000090296498 347651004 /nfs/dbraw/zinc/65/10/04/347651004.db2.gz XAWNAIRCDUYLEI-UHFFFAOYSA-N 0 1 291.311 1.353 20 5 CDBDMN CCNCc1cn(Cc2ccc([N+](=O)[O-])cc2Cl)nn1 ZINC000090296138 347651080 /nfs/dbraw/zinc/65/10/80/347651080.db2.gz MJXOIOOKCFDTSF-UHFFFAOYSA-N 0 1 295.730 1.998 20 5 CDBDMN CN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccsc1 ZINC000090512430 347740603 /nfs/dbraw/zinc/74/06/03/347740603.db2.gz XZDXXJBMJZZSPR-UHFFFAOYSA-N 0 1 293.348 1.950 20 5 CDBDMN CC(C)N1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000068800271 349079244 /nfs/dbraw/zinc/07/92/44/349079244.db2.gz UUXMHINMKUBIEN-UHFFFAOYSA-N 0 1 281.312 1.744 20 5 CDBDMN O=C(NCc1ccccc1-n1cccn1)[C@@H]1CC1[N+](=O)[O-] ZINC000067342297 350936287 /nfs/dbraw/zinc/93/62/87/350936287.db2.gz WZWKOFUSHAFLNT-DGCLKSJQSA-N 0 1 286.291 1.154 20 5 CDBDMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000092942725 351302103 /nfs/dbraw/zinc/30/21/03/351302103.db2.gz SGFMJMUZQQQHIS-APPZFPTMSA-N 0 1 270.310 1.951 20 5 CDBDMN COC(=O)C[C@]1(NCc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000361741470 358473430 /nfs/dbraw/zinc/47/34/30/358473430.db2.gz WHCQSXXAGWPBQR-CQSZACIVSA-N 0 1 294.307 1.407 20 5 CDBDMN CC1=CCN(CCNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000355348393 366085309 /nfs/dbraw/zinc/08/53/09/366085309.db2.gz WHZYYKSONSQVFK-UHFFFAOYSA-N 0 1 278.312 1.305 20 5 CDBDMN CC[C@H]1CCC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000153905157 188110706 /nfs/dbraw/zinc/11/07/06/188110706.db2.gz BCWCQVQOHUWJAW-JGVFFNPUSA-N 0 1 252.274 1.626 20 5 CDBDMN O=C(N[C@@H]1CCCOc2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000372551946 363225922 /nfs/dbraw/zinc/22/59/22/363225922.db2.gz XTVDVIYUAGBYMY-IJLUTSLNSA-N 0 1 276.292 1.682 20 5 CDBDMN CC1(C)CN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000279821043 363308703 /nfs/dbraw/zinc/30/87/03/363308703.db2.gz QLHBWWXNNBTHIL-LBPRGKRZSA-N 0 1 250.298 1.798 20 5 CDBDMN COC[C@@H]1C[C@H](O)CN1[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000411927171 363381630 /nfs/dbraw/zinc/38/16/30/363381630.db2.gz XSQKIWSFIZGPBC-SWHYSGLUSA-N 0 1 280.324 1.737 20 5 CDBDMN CC(C)(O)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CC1 ZINC000428350118 535299395 /nfs/dbraw/zinc/29/93/95/535299395.db2.gz DDRUWQDEPYMSBI-UHFFFAOYSA-N 0 1 294.307 1.676 20 5 CDBDMN CC(C)c1nc([C@@H](C)Nc2ncc([N+](=O)[O-])cn2)n[nH]1 ZINC000273720814 192276844 /nfs/dbraw/zinc/27/68/44/192276844.db2.gz GNNQBEUBKHWAQW-SSDOTTSWSA-N 0 1 277.288 1.799 20 5 CDBDMN CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000331241997 357246715 /nfs/dbraw/zinc/24/67/15/357246715.db2.gz NULDXIPSHVDCCT-NSHDSACASA-N 0 1 293.323 1.467 20 5 CDBDMN O=C(NC1CCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000264580640 357390513 /nfs/dbraw/zinc/39/05/13/357390513.db2.gz ZEWHKOCMGILZEZ-UHFFFAOYSA-N 0 1 260.253 1.753 20 5 CDBDMN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])[N@@H+](C)C1CC1 ZINC000181971374 357394419 /nfs/dbraw/zinc/39/44/19/357394419.db2.gz YKYDIQYLIAGNLP-VIFPVBQESA-N 0 1 293.323 1.513 20 5 CDBDMN COCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000264602756 357442291 /nfs/dbraw/zinc/44/22/91/357442291.db2.gz NUUFOSNNZTWMSB-SNVBAGLBSA-N 0 1 283.303 1.867 20 5 CDBDMN Cc1nnc(NC(=O)c2c(C)cccc2[N+](=O)[O-])[nH]1 ZINC000127833150 358252028 /nfs/dbraw/zinc/25/20/28/358252028.db2.gz UPUJKNOZPMNFCY-UHFFFAOYSA-N 0 1 261.241 1.582 20 5 CDBDMN Cc1n[nH]c(NC(=O)c2c(C)cccc2[N+](=O)[O-])n1 ZINC000127833150 358252032 /nfs/dbraw/zinc/25/20/32/358252032.db2.gz UPUJKNOZPMNFCY-UHFFFAOYSA-N 0 1 261.241 1.582 20 5 CDBDMN Nc1nc(Nc2cnn(C(F)F)c2)ncc1[N+](=O)[O-] ZINC000361669288 358423325 /nfs/dbraw/zinc/42/33/25/358423325.db2.gz HZDNCNNUDNJADZ-UHFFFAOYSA-N 0 1 271.187 1.133 20 5 CDBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H](CO)C2)cc1F ZINC000094775832 358662286 /nfs/dbraw/zinc/66/22/86/358662286.db2.gz AFADNTGVCRBRJY-SNVBAGLBSA-N 0 1 254.261 1.548 20 5 CDBDMN C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000264913155 358767581 /nfs/dbraw/zinc/76/75/81/358767581.db2.gz FWVXWPCROINFGW-UWVGGRQHSA-N 0 1 278.312 1.232 20 5 CDBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H](COC)C2)c1[N+](=O)[O-] ZINC000265091253 359107900 /nfs/dbraw/zinc/10/79/00/359107900.db2.gz TXGIXGOFHWUWCE-SECBINFHSA-N 0 1 296.327 1.379 20 5 CDBDMN C[C@@H](N[C@@H](C)CS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000081900590 359433708 /nfs/dbraw/zinc/43/37/08/359433708.db2.gz NNRRRARIALDXAY-VHSXEESVSA-N 0 1 286.353 1.679 20 5 CDBDMN CCO[C@H]1C[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000562470846 359997364 /nfs/dbraw/zinc/99/73/64/359997364.db2.gz VMDNGIINWVGJJL-MNOVXSKESA-N 0 1 290.279 1.378 20 5 CDBDMN Cc1[nH]nc(C(=O)N2CCSCC[C@@H]2C)c1[N+](=O)[O-] ZINC000276865672 360151208 /nfs/dbraw/zinc/15/12/08/360151208.db2.gz NCAALXZWFHOFRJ-ZETCQYMHSA-N 0 1 284.341 1.594 20 5 CDBDMN Cc1ccc([C@@H](C)N[C@H](C)C(=O)NC(N)=O)cc1[N+](=O)[O-] ZINC000178689569 189137885 /nfs/dbraw/zinc/13/78/85/189137885.db2.gz GVJSOXRCSDNGMW-RKDXNWHRSA-N 0 1 294.311 1.137 20 5 CDBDMN O=[N+]([O-])c1cnc(NC2CCN([C@@H]3CCOC3)CC2)s1 ZINC000367159752 361180494 /nfs/dbraw/zinc/18/04/94/361180494.db2.gz MTJQKGBIGFKLAJ-SNVBAGLBSA-N 0 1 298.368 1.717 20 5 CDBDMN Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000070075960 361238782 /nfs/dbraw/zinc/23/87/82/361238782.db2.gz VIOMOSBNTDXFKB-PHIMTYICSA-N 0 1 277.324 1.726 20 5 CDBDMN Cc1[nH]ncc1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000037993094 361389739 /nfs/dbraw/zinc/38/97/39/361389739.db2.gz BYDCKGHCJUGVQU-UHFFFAOYSA-N 0 1 275.268 1.948 20 5 CDBDMN CC(=O)N1CC(N[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000575329493 361483500 /nfs/dbraw/zinc/48/35/00/361483500.db2.gz IQVFAHDPQWWRGC-ZDUSSCGKSA-N 0 1 275.308 1.402 20 5 CDBDMN O=[N+]([O-])c1ccsc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000302022978 201304817 /nfs/dbraw/zinc/30/48/17/201304817.db2.gz OUCYEUXUQDRADG-LLVKDONJSA-N 0 1 297.380 1.815 20 5 CDBDMN O=C(N[C@H]1C[C@H]1C(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000345838371 364030004 /nfs/dbraw/zinc/03/00/04/364030004.db2.gz CTSREWLVZDLXOW-APPZFPTMSA-N 0 1 296.233 1.855 20 5 CDBDMN Cc1[nH]ncc1CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000038011939 364143794 /nfs/dbraw/zinc/14/37/94/364143794.db2.gz QDFXBZQTRWEXRJ-UHFFFAOYSA-N 0 1 274.280 1.865 20 5 CDBDMN C[C@H]1CSCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000174870929 364586142 /nfs/dbraw/zinc/58/61/42/364586142.db2.gz LZSXVRPIFKFMQH-VIFPVBQESA-N 0 1 256.331 1.229 20 5 CDBDMN CC(C)C[C@H](CCO)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270699412 366921006 /nfs/dbraw/zinc/92/10/06/366921006.db2.gz BMIAPSFQSHULFE-VIFPVBQESA-N 0 1 284.316 1.092 20 5 CDBDMN NC(=O)[C@@H]1C[C@@H](F)CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330450186 367775141 /nfs/dbraw/zinc/77/51/41/367775141.db2.gz JHRUVPTXWMCVIL-KCJUWKMLSA-N 0 1 283.259 1.748 20 5 CDBDMN O=C(NC[C@@H]1CCCCO1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272624496 367783682 /nfs/dbraw/zinc/78/36/82/367783682.db2.gz VJGCPMPPJXDKJS-LBPRGKRZSA-N 0 1 280.280 1.599 20 5 CDBDMN CCOc1cc(CN2C[C@H]3[C@H](CO)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000367825737 370924777 /nfs/dbraw/zinc/92/47/77/370924777.db2.gz VOIUYAPMUJIZSV-ITGUQSILSA-N 0 1 292.335 1.664 20 5 CDBDMN CC(C)CN1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000298848077 374235011 /nfs/dbraw/zinc/23/50/11/374235011.db2.gz AWIKDKAWIWFEBM-UHFFFAOYSA-N 0 1 280.328 1.337 20 5 CDBDMN Cn1cnc([N+](=O)[O-])c1CN[C@H]1Cc2cccc(O)c2C1 ZINC000429225375 374575225 /nfs/dbraw/zinc/57/52/25/374575225.db2.gz FOHRLWCUKRDFLI-JTQLQIEISA-N 0 1 288.307 1.291 20 5 CDBDMN Cc1ccc([N+](=O)[O-])c(N2CCN(C[C@H](C)O)C[C@H]2C)c1 ZINC000277899867 374823014 /nfs/dbraw/zinc/82/30/14/374823014.db2.gz XOELGJLFATVJFR-OLZOCXBDSA-N 0 1 293.367 1.795 20 5 CDBDMN Cc1c(CNC(=O)[C@H]2CCCN2C)cccc1[N+](=O)[O-] ZINC000331159107 374897462 /nfs/dbraw/zinc/89/74/62/374897462.db2.gz ZMFHDPZDRIPQHN-CYBMUJFWSA-N 0 1 277.324 1.614 20 5 CDBDMN CC1(C)CN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000279766542 374958257 /nfs/dbraw/zinc/95/82/57/374958257.db2.gz MSYDTCUJXRRMQY-GFCCVEGCSA-N 0 1 250.298 1.798 20 5 CDBDMN Cc1c(C(=O)NCC[N@@H+]2CC=CCC2)cccc1[N+](=O)[O-] ZINC000279905943 374973595 /nfs/dbraw/zinc/97/35/95/374973595.db2.gz FAUJPOKJMCVRBU-UHFFFAOYSA-N 0 1 289.335 1.895 20 5 CDBDMN Cc1c(C(=O)NCCN2CC=CCC2)cccc1[N+](=O)[O-] ZINC000279905943 374973605 /nfs/dbraw/zinc/97/36/05/374973605.db2.gz FAUJPOKJMCVRBU-UHFFFAOYSA-N 0 1 289.335 1.895 20 5 CDBDMN O=C(NCC[N@@H+]1CC=CCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000280358940 374995150 /nfs/dbraw/zinc/99/51/50/374995150.db2.gz XXAVGFGXYQBJIM-UHFFFAOYSA-N 0 1 291.307 1.292 20 5 CDBDMN CC(C)c1[nH]nc(C(=O)N(C)CC2(O)CCC2)c1[N+](=O)[O-] ZINC000332023978 374997810 /nfs/dbraw/zinc/99/78/10/374997810.db2.gz UAEZRSWAFADEKU-UHFFFAOYSA-N 0 1 296.327 1.428 20 5 CDBDMN CO[C@]1(C)CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000279881666 374972564 /nfs/dbraw/zinc/97/25/64/374972564.db2.gz HHJVLMMTSOGIHK-CQSZACIVSA-N 0 1 294.307 1.942 20 5 CDBDMN O=C(N[C@H]1CCCC12CCOCC2)c1n[nH]cc1[N+](=O)[O-] ZINC000282322105 375078572 /nfs/dbraw/zinc/07/85/72/375078572.db2.gz CQUSHMNCEDNGSN-JTQLQIEISA-N 0 1 294.311 1.397 20 5 CDBDMN Cc1cc([N+](=O)[O-])ccc1N1CCN(CCO)C(C)(C)C1 ZINC000302556973 375214831 /nfs/dbraw/zinc/21/48/31/375214831.db2.gz RZBKDBSEDRWXOZ-UHFFFAOYSA-N 0 1 293.367 1.796 20 5 CDBDMN C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@H](C)N1 ZINC000132720957 375577679 /nfs/dbraw/zinc/57/76/79/375577679.db2.gz GMVMPJPZOZDRSI-RKDXNWHRSA-N 0 1 281.287 1.556 20 5 CDBDMN CC[C@@H](CO)N(C)Cc1ccc([N+](=O)[O-])cc1F ZINC000294046964 375654980 /nfs/dbraw/zinc/65/49/80/375654980.db2.gz JCJSHTZOXUWXKO-JTQLQIEISA-N 0 1 256.277 1.937 20 5 CDBDMN O=C(N[C@H]1COc2ccc(F)cc21)c1n[nH]cc1[N+](=O)[O-] ZINC000344973970 375686897 /nfs/dbraw/zinc/68/68/97/375686897.db2.gz FZKFOFORAHVRLP-QMMMGPOBSA-N 0 1 292.226 1.321 20 5 CDBDMN C[C@@H](CNC(=O)OC(C)(C)C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000495984187 375699122 /nfs/dbraw/zinc/69/91/22/375699122.db2.gz CAOZGIFFVYJPQK-DJLDLDEBSA-N 0 1 288.300 1.108 20 5 CDBDMN Cn1ccc(CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000355309628 375789575 /nfs/dbraw/zinc/78/95/75/375789575.db2.gz CYKKUYXMVYCANJ-UHFFFAOYSA-N 0 1 290.279 1.006 20 5 CDBDMN CCCc1[nH]nc(C(=O)N2CC[C@](O)(CC)C2)c1[N+](=O)[O-] ZINC000428726451 247356166 /nfs/dbraw/zinc/35/61/66/247356166.db2.gz VJXJLSWSOJRNKO-CYBMUJFWSA-N 0 1 296.327 1.257 20 5 CDBDMN C[C@@H]1[C@@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2)CCN1C 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CDBDMN CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)c1nnc[nH]1 ZINC000289046579 197220588 /nfs/dbraw/zinc/22/05/88/197220588.db2.gz ZOLHBVJAAOZVII-ZCFIWIBFSA-N 0 1 265.277 1.411 20 5 CDBDMN CC[N@@H+]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000288656190 197138117 /nfs/dbraw/zinc/13/81/17/197138117.db2.gz ZZTDVOMGSGGKJD-JTQLQIEISA-N 0 1 293.323 1.467 20 5 CDBDMN CC[N@H+]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000288656190 197138118 /nfs/dbraw/zinc/13/81/18/197138118.db2.gz ZZTDVOMGSGGKJD-JTQLQIEISA-N 0 1 293.323 1.467 20 5 CDBDMN CC(C)c1[nH]nc(C(=O)N2CCSCC2)c1[N+](=O)[O-] ZINC000269392498 390423951 /nfs/dbraw/zinc/42/39/51/390423951.db2.gz ROOHFHJTJJZONA-UHFFFAOYSA-N 0 1 284.341 1.630 20 5 CDBDMN Cc1cc([N+](=O)[O-])cnc1N1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000450791913 390553891 /nfs/dbraw/zinc/55/38/91/390553891.db2.gz JMKVMOXPQRHGRJ-TXEJJXNPSA-N 0 1 294.355 1.190 20 5 CDBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C[C@H](C)O ZINC000245923234 131089994 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342776445 /nfs/dbraw/zinc/77/64/45/342776445.db2.gz LYIVVDUVQDNPKB-HBNTYKKESA-N 0 1 294.355 1.486 20 5 CDBDMN Cc1[nH]nc(C(=O)N2CCC(F)(F)C[C@H]2C)c1[N+](=O)[O-] ZINC000600445873 342209787 /nfs/dbraw/zinc/20/97/87/342209787.db2.gz CLIWNGMFSNZVSE-ZCFIWIBFSA-N 0 1 288.254 1.886 20 5 CDBDMN COc1cc(CN[C@H]2C[C@@H](O)C2(C)C)c([N+](=O)[O-])cc1F ZINC000594004000 342862480 /nfs/dbraw/zinc/86/24/80/342862480.db2.gz MTFLTPSSQCJYBJ-QWHCGFSZSA-N 0 1 298.314 1.992 20 5 CDBDMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000600706269 342243162 /nfs/dbraw/zinc/24/31/62/342243162.db2.gz DKIYWJNMLMWXQI-ZDUSSCGKSA-N 0 1 293.323 1.847 20 5 CDBDMN CC[C@@H](CO)N(C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595508397 343080825 /nfs/dbraw/zinc/08/08/25/343080825.db2.gz XFGHDKJJQXQCNA-NSHDSACASA-N 0 1 256.277 1.937 20 5 CDBDMN O=c1[nH]ccc(N[C@@H]2CC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000596119108 343232455 /nfs/dbraw/zinc/23/24/55/343232455.db2.gz JNUYZYAIHHQABW-SNVBAGLBSA-N 0 1 278.312 1.592 20 5 CDBDMN C[C@@H]1[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC[N@H+]1C ZINC000436960889 362154090 /nfs/dbraw/zinc/15/40/90/362154090.db2.gz RXVMQQMMWXZPHT-ZJUUUORDSA-N 0 1 293.323 1.465 20 5 CDBDMN C[C@@H]1[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC[N@@H+]1C ZINC000436960889 362154096 /nfs/dbraw/zinc/15/40/96/362154096.db2.gz RXVMQQMMWXZPHT-ZJUUUORDSA-N 0 1 293.323 1.465 20 5 CDBDMN COCC1(N(C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000597941647 343674368 /nfs/dbraw/zinc/67/43/68/343674368.db2.gz WHUUAKOOIONURS-UHFFFAOYSA-N 0 1 296.327 1.692 20 5 CDBDMN CCC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000598343012 343771138 /nfs/dbraw/zinc/77/11/38/343771138.db2.gz RNSGEBLYEZLPIO-JTQLQIEISA-N 0 1 293.323 1.515 20 5 CDBDMN C[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@]1(C)CO ZINC000598440491 343797795 /nfs/dbraw/zinc/79/77/95/343797795.db2.gz IGVUWKUVDFWRFP-YMTOWFKASA-N 0 1 294.307 1.391 20 5 CDBDMN COC[C@@H](C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602582411 344476338 /nfs/dbraw/zinc/47/63/38/344476338.db2.gz OEBOHDJNLIBYBN-MRVPVSSYSA-N 0 1 265.269 1.861 20 5 CDBDMN CCN(C[C@H]1CCOC1)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000604510324 344897510 /nfs/dbraw/zinc/89/75/10/344897510.db2.gz SBNHMZVWIPVNFX-SECBINFHSA-N 0 1 282.300 1.125 20 5 CDBDMN O=C(CCc1nc[nH]n1)NCCc1ccccc1[N+](=O)[O-] ZINC000344079338 362542883 /nfs/dbraw/zinc/54/28/83/362542883.db2.gz RUYQFSXMAJCBPN-UHFFFAOYSA-N 0 1 289.295 1.004 20 5 CDBDMN Cc1cc(CNC(=O)c2cccc([N+](=O)[O-])c2C)n[nH]1 ZINC000609594670 345821477 /nfs/dbraw/zinc/82/14/77/345821477.db2.gz BVJHUVOHGWKDOX-UHFFFAOYSA-N 0 1 274.280 1.865 20 5 CDBDMN COC[C@@H]1CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000610615579 346323292 /nfs/dbraw/zinc/32/32/92/346323292.db2.gz RSUIGXISQBCSIV-LBPRGKRZSA-N 0 1 293.323 1.305 20 5 CDBDMN CCN1CCN(c2ccc([N+](=O)[O-])cn2)C[C@H]1C ZINC000611084421 346603724 /nfs/dbraw/zinc/60/37/24/346603724.db2.gz VPDBTDARMTVJKJ-SNVBAGLBSA-N 0 1 250.302 1.520 20 5 CDBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000611217967 346694076 /nfs/dbraw/zinc/69/40/76/346694076.db2.gz BKIQRMRLQNVUFA-SECBINFHSA-N 0 1 264.285 1.498 20 5 CDBDMN C[C@@H]1[C@H](C)N(C)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000611299156 346740757 /nfs/dbraw/zinc/74/07/57/346740757.db2.gz SEQZGPFQGVHSDW-VHSXEESVSA-N 0 1 250.302 1.519 20 5 CDBDMN CC(=O)N1CC[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000152887316 347629584 /nfs/dbraw/zinc/62/95/84/347629584.db2.gz XEZGQYQYGTTYHB-SNVBAGLBSA-N 0 1 269.326 1.367 20 5 CDBDMN O=[N+]([O-])c1cccc(-n2cc(CNC3CC3)nn2)c1 ZINC000090299966 347651696 /nfs/dbraw/zinc/65/16/96/347651696.db2.gz PWEBFGCOPQVHGY-UHFFFAOYSA-N 0 1 259.269 1.428 20 5 CDBDMN O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000072521818 349123573 /nfs/dbraw/zinc/12/35/73/349123573.db2.gz QYMIQLSVRUOSBT-HNNXBMFYSA-N 0 1 291.351 1.896 20 5 CDBDMN Cc1cc(NCCCc2nc[nH]n2)ncc1[N+](=O)[O-] ZINC000092027325 180308411 /nfs/dbraw/zinc/30/84/11/180308411.db2.gz NGCYDXPPJKWCJL-UHFFFAOYSA-N 0 1 262.273 1.461 20 5 CDBDMN C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000109066245 186242546 /nfs/dbraw/zinc/24/25/46/186242546.db2.gz NUDXEAXHOVKCDM-UWVGGRQHSA-N 0 1 263.297 1.417 20 5 CDBDMN CC[C@@]1(C(C)C)C[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000457259975 366000651 /nfs/dbraw/zinc/00/06/51/366000651.db2.gz CFRYBEHWYSRWOL-SKDRFNHKSA-N 0 1 266.301 1.872 20 5 CDBDMN O=C([O-])[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000062134448 363013674 /nfs/dbraw/zinc/01/36/74/363013674.db2.gz BKONMYYIXAIJJM-JTQLQIEISA-N 0 1 250.254 1.501 20 5 CDBDMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000092924506 351300763 /nfs/dbraw/zinc/30/07/63/351300763.db2.gz VLERTDMQRHGECX-GWCFXTLKSA-N 0 1 278.308 1.932 20 5 CDBDMN C[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000155160288 188187717 /nfs/dbraw/zinc/18/77/17/188187717.db2.gz BMHHALLFAGWOBC-SNVBAGLBSA-N 0 1 295.364 1.507 20 5 CDBDMN C[C@H]1C[C@@H](O)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000292454584 198294976 /nfs/dbraw/zinc/29/49/76/198294976.db2.gz PRTYVEPWAVLVTB-JQWIXIFHSA-N 0 1 250.298 1.940 20 5 CDBDMN Cc1ccc(CN2CCC(C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000158595747 188384387 /nfs/dbraw/zinc/38/43/87/188384387.db2.gz KRGXLBCDSJKSTB-UHFFFAOYSA-N 0 1 277.324 1.601 20 5 CDBDMN O=C(NCCC1=CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000158840847 188396767 /nfs/dbraw/zinc/39/67/67/188396767.db2.gz KTSAFABISJFPJT-UHFFFAOYSA-N 0 1 264.285 1.938 20 5 CDBDMN COC[C@@H]1C[C@H](O)CN1Cc1ccccc1[N+](=O)[O-] ZINC000411924067 363380730 /nfs/dbraw/zinc/38/07/30/363380730.db2.gz PMGIASPGJBSDPR-RYUDHWBXSA-N 0 1 266.297 1.176 20 5 CDBDMN Cc1[nH]nc(C(=O)N(C)C[C@H]2CCCC[C@H]2O)c1[N+](=O)[O-] ZINC000272486104 191746323 /nfs/dbraw/zinc/74/63/23/191746323.db2.gz NOHMXYQIBIKSNY-NXEZZACHSA-N 0 1 296.327 1.249 20 5 CDBDMN CC(C)(CO)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000609846022 356459042 /nfs/dbraw/zinc/45/90/42/356459042.db2.gz XSPXIEVPDKNYHG-UHFFFAOYSA-N 0 1 293.367 1.483 20 5 CDBDMN O=[N+]([O-])c1ccccc1CN1CCC(CO)CC1 ZINC000046090675 357135158 /nfs/dbraw/zinc/13/51/58/357135158.db2.gz QHLKPJAQDWGEBR-UHFFFAOYSA-N 0 1 250.298 1.799 20 5 CDBDMN CCCN1CCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000264500213 357355795 /nfs/dbraw/zinc/35/57/95/357355795.db2.gz VLOAMKNXBXSBII-UHFFFAOYSA-N 0 1 264.329 1.830 20 5 CDBDMN CC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181820459 357382922 /nfs/dbraw/zinc/38/29/22/357382922.db2.gz UYUUDIXPNWLYPF-NSHDSACASA-N 0 1 293.323 1.515 20 5 CDBDMN C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000408162655 358224631 /nfs/dbraw/zinc/22/46/31/358224631.db2.gz YHFAKRONIPRJQA-NXEZZACHSA-N 0 1 293.323 1.465 20 5 CDBDMN COC(=O)N1CC(N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000294900340 199238878 /nfs/dbraw/zinc/23/88/78/199238878.db2.gz VWCVALOCMCGZKT-QMMMGPOBSA-N 0 1 294.311 1.278 20 5 CDBDMN C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H](C)N1C ZINC000339618064 359416580 /nfs/dbraw/zinc/41/65/80/359416580.db2.gz ALDDRODAMPMEBU-BETUJISGSA-N 0 1 293.367 1.998 20 5 CDBDMN CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H](C)CO ZINC000339625591 359419776 /nfs/dbraw/zinc/41/97/76/359419776.db2.gz KPTZKNSITFGIGA-NSHDSACASA-N 0 1 295.339 1.544 20 5 CDBDMN O=[N+]([O-])c1ccc(CN[C@H](CO)CC(F)(F)F)cc1 ZINC000339791066 359443944 /nfs/dbraw/zinc/44/39/44/359443944.db2.gz GVVXGMMRCNXNLG-VIFPVBQESA-N 0 1 278.230 1.998 20 5 CDBDMN CC[C@@H]1CN(C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000571356031 359569363 /nfs/dbraw/zinc/56/93/63/359569363.db2.gz MYQNILBAMFEFDW-CYBMUJFWSA-N 0 1 291.351 1.690 20 5 CDBDMN CCOc1ccc([N+](=O)[O-])cc1CN(C)Cc1nnc[nH]1 ZINC000177140501 189031861 /nfs/dbraw/zinc/03/18/61/189031861.db2.gz MDRFANVENPRUNP-UHFFFAOYSA-N 0 1 291.311 1.744 20 5 CDBDMN CC1CCN(CC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000178256367 189100722 /nfs/dbraw/zinc/10/07/22/189100722.db2.gz GNKUNXCBABLSTD-UHFFFAOYSA-N 0 1 291.351 1.943 20 5 CDBDMN COc1ccc(C(=O)N2CCNC[C@@H]2C)cc1[N+](=O)[O-] ZINC000054369739 360641844 /nfs/dbraw/zinc/64/18/44/360641844.db2.gz MPQBBSKQXCFQOI-VIFPVBQESA-N 0 1 279.296 1.037 20 5 CDBDMN Cc1cc(C(=O)N2CCNC[C@H]2C)ccc1[N+](=O)[O-] ZINC000054369780 360642098 /nfs/dbraw/zinc/64/20/98/360642098.db2.gz ZTNGGHWEOYXZIT-SNVBAGLBSA-N 0 1 263.297 1.337 20 5 CDBDMN C[C@@H](NCC(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000180442237 189255096 /nfs/dbraw/zinc/25/50/96/189255096.db2.gz AEOCTQGFJZALCX-LLVKDONJSA-N 0 1 293.323 1.104 20 5 CDBDMN COc1ccc(CN2CC[C@H]([C@H](C)O)C2)cc1[N+](=O)[O-] ZINC000168368400 361166621 /nfs/dbraw/zinc/16/66/21/361166621.db2.gz CLIFASQEWXSLJQ-JQWIXIFHSA-N 0 1 280.324 1.806 20 5 CDBDMN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H](C)N1 ZINC000070075713 361237414 /nfs/dbraw/zinc/23/74/14/361237414.db2.gz HZQSNSCVRJCLJY-HTQZYQBOSA-N 0 1 253.258 1.010 20 5 CDBDMN C[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@H](C)N1 ZINC000070076265 361238451 /nfs/dbraw/zinc/23/84/51/361238451.db2.gz LRTNERUJYWONOA-YFHYCDLPSA-N 0 1 289.335 1.817 20 5 CDBDMN O=c1[nH]nc([C@H]2CCCN(c3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000367364908 361354956 /nfs/dbraw/zinc/35/49/56/361354956.db2.gz YOVDPECWMSYWGX-QMMMGPOBSA-N 0 1 291.267 1.462 20 5 CDBDMN C[C@H](C[S@@](C)=O)NCc1ccccc1[N+](=O)[O-] ZINC000168146174 363879336 /nfs/dbraw/zinc/87/93/36/363879336.db2.gz BOPLBZCBOOGQTN-XLFHBGCDSA-N 0 1 256.327 1.451 20 5 CDBDMN CCN(CCO)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000267986869 363945051 /nfs/dbraw/zinc/94/50/51/363945051.db2.gz JNXYNOITQWFQSK-JTQLQIEISA-N 0 1 281.312 1.236 20 5 CDBDMN NC(=O)c1cccc(CNCc2cccc([N+](=O)[O-])c2)c1 ZINC000035231703 363956892 /nfs/dbraw/zinc/95/68/92/363956892.db2.gz WYAVGXSEHWRKSQ-UHFFFAOYSA-N 0 1 285.303 1.984 20 5 CDBDMN CO[C@H]1COC[C@@H]1N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000290204532 364809850 /nfs/dbraw/zinc/80/98/50/364809850.db2.gz PIVVEKFEYKDDNF-JKOKRWQUSA-N 0 1 280.324 1.968 20 5 CDBDMN Cc1cccc(NC[C@@H](C)N2CCN(C)CC2)c1[N+](=O)[O-] ZINC000275380485 193015631 /nfs/dbraw/zinc/01/56/31/193015631.db2.gz BEWDHTAIFDYJFO-CYBMUJFWSA-N 0 1 292.383 1.951 20 5 CDBDMN 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267.237 1.546 20 5 CDBDMN C[C@H](O)CN(Cc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839691549 936920212 /nfs/dbraw/zinc/92/02/12/936920212.db2.gz IQHNLMOFKDVNGZ-CYZMBNFOSA-N 0 1 278.308 1.061 20 5 CDBDMN COCCc1ccccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839733319 936922296 /nfs/dbraw/zinc/92/22/96/936922296.db2.gz KLKZESDVASKYBS-ZYHUDNBSSA-N 0 1 264.281 1.479 20 5 CDBDMN CCc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1F ZINC000839764094 936924527 /nfs/dbraw/zinc/92/45/27/936924527.db2.gz XOLPJIBHLUPFAW-MWLCHTKSSA-N 0 1 252.245 1.992 20 5 CDBDMN C=Cc1ccc(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839775027 936925171 /nfs/dbraw/zinc/92/51/71/936925171.db2.gz RBODTGRBHMCWGW-CHWSQXEVSA-N 0 1 260.293 1.654 20 5 CDBDMN COC(=O)[C@@H](C)c1cccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000839822728 936927064 /nfs/dbraw/zinc/92/70/64/936927064.db2.gz KAAZODCVXLMGAO-XXILOJSOSA-N 0 1 292.291 1.567 20 5 CDBDMN O=C(NC1(c2nccs2)CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000840352502 936948951 /nfs/dbraw/zinc/94/89/51/936948951.db2.gz RMRYKYCEKWJKNU-RKDXNWHRSA-N 0 1 281.337 1.694 20 5 CDBDMN COC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1F ZINC000840398364 936950352 /nfs/dbraw/zinc/95/03/52/936950352.db2.gz HPWTUIFRCJJAHV-PSASIEDQSA-N 0 1 282.227 1.216 20 5 CDBDMN CC[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)cn1 ZINC000841232855 936985873 /nfs/dbraw/zinc/98/58/73/936985873.db2.gz YKXFKXVYLNOTNR-FBIMIBRVSA-N 0 1 268.244 1.880 20 5 CDBDMN O=[N+]([O-])C[C@H]1CC[C@@H](NCc2ncc(F)cn2)C1 ZINC001168964515 927587889 /nfs/dbraw/zinc/58/78/89/927587889.db2.gz ULVJYNANXXKMGG-WCBMZHEXSA-N 0 1 254.265 1.151 20 5 CDBDMN C[C@@]1(O)CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1F ZINC001169011299 927616262 /nfs/dbraw/zinc/61/62/62/927616262.db2.gz JOOZYANFTGECEY-FIQHERPVSA-N 0 1 260.309 1.227 20 5 CDBDMN Cc1cnc(CN)n1-c1cccc2ncc([N+](=O)[O-])n21 ZINC001169030799 927638074 /nfs/dbraw/zinc/63/80/74/927638074.db2.gz MHLYMSNNSPBLKW-UHFFFAOYSA-N 0 1 272.268 1.195 20 5 CDBDMN Cn1ncc2c1CCN([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169043815 927657735 /nfs/dbraw/zinc/65/77/35/927657735.db2.gz HVZAVBKJWSGWON-CMPLNLGQSA-N 0 1 264.329 1.224 20 5 CDBDMN CN1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2cccnc21 ZINC001169026223 927666688 /nfs/dbraw/zinc/66/66/88/927666688.db2.gz WADQZAOOLASDJI-JSGCOSHPSA-N 0 1 290.367 1.779 20 5 CDBDMN CCOC(=O)CN(C1CC1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169050439 927669407 /nfs/dbraw/zinc/66/94/07/927669407.db2.gz ZQXIUBXMBVJFSL-CMPLNLGQSA-N 0 1 270.329 1.459 20 5 CDBDMN O=[N+]([O-])c1ccc([C@@H](O)CN2CCc3cn[nH]c3C2)cc1 ZINC000776590228 927782728 /nfs/dbraw/zinc/78/27/28/927782728.db2.gz DHWDAXVNTGEBPK-AWEZNQCLSA-N 0 1 288.307 1.410 20 5 CDBDMN Cc1nn(CCC(=O)OCCN2CCC2)c(C)c1[N+](=O)[O-] ZINC000861386974 929287333 /nfs/dbraw/zinc/28/73/33/929287333.db2.gz SPGDGHPBQRKUPC-UHFFFAOYSA-N 0 1 296.327 1.047 20 5 CDBDMN O=C(COc1cccc([N+](=O)[O-])c1)OCCN1CCC1 ZINC000861386380 929287572 /nfs/dbraw/zinc/28/75/72/929287572.db2.gz WQFGENMQLVMOGV-UHFFFAOYSA-N 0 1 280.280 1.223 20 5 CDBDMN O=C1C[C@H](NCc2ccccc2[N+](=O)[O-])CN1CC1CC1 ZINC000883404193 930193505 /nfs/dbraw/zinc/19/35/05/930193505.db2.gz SBJXMXONLNNYMA-ZDUSSCGKSA-N 0 1 289.335 1.695 20 5 CDBDMN CC[C@@](N)(CO)Nc1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001170866302 930525198 /nfs/dbraw/zinc/52/51/98/930525198.db2.gz UXHGATLCKVNYDG-LBPRGKRZSA-N 0 1 264.285 1.545 20 5 CDBDMN Cn1ccnc1[C@H]1CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886086712 930801198 /nfs/dbraw/zinc/80/11/98/930801198.db2.gz LXBMEDDHHRDMCI-LBPRGKRZSA-N 0 1 287.323 1.713 20 5 CDBDMN CC1(C)[C@H](NCc2cccnc2[N+](=O)[O-])C[C@@H]1O ZINC000886229343 930832537 /nfs/dbraw/zinc/83/25/37/930832537.db2.gz OFJDPNZIFQJXBN-ZJUUUORDSA-N 0 1 251.286 1.239 20 5 CDBDMN CN(C[C@](C)(O)c1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000819716780 930836432 /nfs/dbraw/zinc/83/64/32/930836432.db2.gz SFTRGESYMRVVMX-BZPMIXESSA-N 0 1 278.308 1.018 20 5 CDBDMN C[C@H](CO)[C@@H]1CCCCN1Cc1cccnc1[N+](=O)[O-] ZINC000886277624 930847703 /nfs/dbraw/zinc/84/77/03/930847703.db2.gz WVYMVFYUKXENLI-YPMHNXCESA-N 0 1 279.340 1.973 20 5 CDBDMN C[C@@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccn1 ZINC000821523223 931062997 /nfs/dbraw/zinc/06/29/97/931062997.db2.gz RASZDNKAKNWTGW-IQJOONFLSA-N 0 1 250.254 1.394 20 5 CDBDMN CC(C)(CNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCOCC1 ZINC000887386074 931078691 /nfs/dbraw/zinc/07/86/91/931078691.db2.gz MKPGAFOCSUQAIC-GHMZBOCLSA-N 0 1 270.329 1.221 20 5 CDBDMN C[C@@]1(COC(=O)[C@@H]2CC2[N+](=O)[O-])C[C@]1(F)Cl ZINC000821923847 931109913 /nfs/dbraw/zinc/10/99/13/931109913.db2.gz MVHPYJPKEXRADL-MTSNSDSCSA-N 0 1 251.641 1.509 20 5 CDBDMN Cn1cnc([N+](=O)[O-])c1-c1noc([C@H]2CCCCN2)n1 ZINC000823088415 931252105 /nfs/dbraw/zinc/25/21/05/931252105.db2.gz JWZVFVOCNMLNJB-SSDOTTSWSA-N 0 1 278.272 1.193 20 5 CDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000846972145 932167396 /nfs/dbraw/zinc/16/73/96/932167396.db2.gz YXQRFILMSKTTBG-MRTXSQPYSA-N 0 1 296.367 1.584 20 5 CDBDMN O=[N+]([O-])CCN(CCO)[C@H]1CCCc2ccccc21 ZINC000929978051 933294181 /nfs/dbraw/zinc/29/41/81/933294181.db2.gz NNHFPWJCYIZJRF-AWEZNQCLSA-N 0 1 264.325 1.635 20 5 CDBDMN COc1ccccc1COC1CCN(CC[N+](=O)[O-])CC1 ZINC000930165154 933330036 /nfs/dbraw/zinc/33/00/36/933330036.db2.gz GJYMVLVUGMFJKF-UHFFFAOYSA-N 0 1 294.351 1.953 20 5 CDBDMN COC(=O)[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000933171387 933792332 /nfs/dbraw/zinc/79/23/32/933792332.db2.gz SYEMDJRWPONNMU-GHMZBOCLSA-N 0 1 296.327 1.065 20 5 CDBDMN COc1cc(C)nc(N[C@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC001156580864 938388331 /nfs/dbraw/zinc/38/83/31/938388331.db2.gz XXQMLTRFESSTTA-VIFPVBQESA-N 0 1 266.301 1.423 20 5 CDBDMN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCN(C)C2)n1 ZINC001156580928 938389123 /nfs/dbraw/zinc/38/91/23/938389123.db2.gz MNPAIUSEAFQASE-JTQLQIEISA-N 0 1 250.302 1.723 20 5 CDBDMN CN1CC(CNc2cc([N+](=O)[O-])c3cc[nH]c3n2)C1 ZINC001159218842 938713023 /nfs/dbraw/zinc/71/30/23/938713023.db2.gz CIELRUHOBAPDKM-UHFFFAOYSA-N 0 1 261.285 1.445 20 5 CDBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1C[C@H]1F ZINC001160726949 938820673 /nfs/dbraw/zinc/82/06/73/938820673.db2.gz AFRSSZATJQDFTC-RKDXNWHRSA-N 0 1 291.242 1.676 20 5 CDBDMN Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])nc2)cc1 ZINC001203576126 939694414 /nfs/dbraw/zinc/69/44/14/939694414.db2.gz VARGZCHOBJJFKK-UHFFFAOYSA-N 0 1 294.292 1.373 20 5 CDBDMN O=C1OC[C@@H](COc2cc(O)ccc2[N+](=O)[O-])O1 ZINC001225490813 941869516 /nfs/dbraw/zinc/86/95/16/941869516.db2.gz LLNXJMZVFVVGRB-SSDOTTSWSA-N 0 1 255.182 1.215 20 5 CDBDMN CC(C)OC(=O)COc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-] ZINC001228604545 942341108 /nfs/dbraw/zinc/34/11/08/942341108.db2.gz UIWBZFDQFUQQPX-UHFFFAOYSA-N 0 1 297.267 1.298 20 5 CDBDMN O=c1[nH]cnc(O[C@H](C[N+](=O)[O-])c2cccnc2)c1Cl ZINC001230015338 942569001 /nfs/dbraw/zinc/56/90/01/942569001.db2.gz WTDLGPGMKGJWSI-MRVPVSSYSA-N 0 1 296.670 1.627 20 5 CDBDMN O=[N+]([O-])c1ccc2c(c1)C[C@H](N[C@@H](CO)c1ccccn1)C2 ZINC001254580932 947538039 /nfs/dbraw/zinc/53/80/39/947538039.db2.gz IEXMHLCYFXRDOM-CJNGLKHVSA-N 0 1 299.330 1.780 20 5 CDBDMN CCc1ncc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC001303973086 956139896 /nfs/dbraw/zinc/13/98/96/956139896.db2.gz PJJPZABQGTZPMX-UHFFFAOYSA-N 0 1 288.307 1.739 20 5 CDBDMN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H](CCO)COC ZINC001308278690 956507562 /nfs/dbraw/zinc/50/75/62/956507562.db2.gz HKJRVWFWWXCRBH-LBPRGKRZSA-N 0 1 298.339 1.481 20 5 CDBDMN Cc1nn(CN(C)CCCF)c2ncc([N+](=O)[O-])cc12 ZINC001331061260 956795687 /nfs/dbraw/zinc/79/56/87/956795687.db2.gz HXRUHZXXWSCJFO-UHFFFAOYSA-N 0 1 281.291 1.897 20 5 CDBDMN Cc1nc([C@H](C)NC(=O)c2cc(O)cc([N+](=O)[O-])c2)no1 ZINC001337471998 961216617 /nfs/dbraw/zinc/21/66/17/961216617.db2.gz NSEIDPWMLOULLH-LURJTMIESA-N 0 1 292.251 1.483 20 5 CDBDMN CCN1CCN(C2CN(c3sccc3[N+](=O)[O-])C2)CC1 ZINC001354278638 968593972 /nfs/dbraw/zinc/59/39/72/968593972.db2.gz RNWKHNNANSEHJU-UHFFFAOYSA-N 0 1 296.396 1.482 20 5 CDBDMN CC[N@H+]1CC[C@@H]1CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000710102924 977481290 /nfs/dbraw/zinc/48/12/90/977481290.db2.gz ZLZZQKZWMNSDIQ-SNVBAGLBSA-N 0 1 279.296 1.799 20 5 CDBDMN CC[N@@H+](CC(=O)[O-])Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001596225231 983616549 /nfs/dbraw/zinc/61/65/49/983616549.db2.gz VBVBJNGQIRVQJF-UHFFFAOYSA-N 0 1 296.279 1.273 20 5 CDBDMN CC1(C(=O)NCCNCc2ccccc2[N+](=O)[O-])CCC1 ZINC001132451896 1163308393 /nfs/dbraw/zinc/30/83/93/1163308393.db2.gz QLGPZHAZKZQVHO-UHFFFAOYSA-N 0 1 291.351 1.991 20 5 CDBDMN O=C(NOC/C=C\Cl)c1cc(O)cc([N+](=O)[O-])c1 ZINC000812402558 1163619949 /nfs/dbraw/zinc/61/99/49/1163619949.db2.gz GHXQJKSTWSWXER-UPHRSURJSA-N 0 1 272.644 1.714 20 5 CDBDMN CN(C/C=C\c1ccccc1[N+](=O)[O-])[C@]1(CO)CCOC1 ZINC000600177734 341983353 /nfs/dbraw/zinc/98/33/53/341983353.db2.gz COQZBWISMPDLFV-VOKGJARPSA-N 0 1 292.335 1.691 20 5 CDBDMN Cn1cnc([N+](=O)[O-])c1N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000590141900 342522655 /nfs/dbraw/zinc/52/26/55/342522655.db2.gz HDHCBVQCLGGZBP-ZDUSSCGKSA-N 0 1 279.344 1.250 20 5 CDBDMN C[C@@H](C(=O)N[C@@H](C)c1nnc[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000235499690 342050389 /nfs/dbraw/zinc/05/03/89/342050389.db2.gz BESVMYPXKGAJRT-BDAKNGLRSA-N 0 1 289.295 1.694 20 5 CDBDMN O=[N+]([O-])c1ccc(OCc2nc([C@H]3CCCN3)no2)cc1 ZINC000592357171 342688367 /nfs/dbraw/zinc/68/83/67/342688367.db2.gz SGEWXTBFKIHWQS-LLVKDONJSA-N 0 1 290.279 1.981 20 5 CDBDMN O=[N+]([O-])c1ccc(OCc2nc([C@@H]3CCCN3)no2)cc1 ZINC000592357172 342688433 /nfs/dbraw/zinc/68/84/33/342688433.db2.gz SGEWXTBFKIHWQS-NSHDSACASA-N 0 1 290.279 1.981 20 5 CDBDMN C[C@H](C(=O)[O-])[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CCC1 ZINC000573625749 361913493 /nfs/dbraw/zinc/91/34/93/361913493.db2.gz DUUXSBGSMNMDTM-SECBINFHSA-N 0 1 282.300 1.119 20 5 CDBDMN COCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC(=O)[O-] ZINC000593744593 342827478 /nfs/dbraw/zinc/82/74/78/342827478.db2.gz PFIHEOHANMNKNG-UHFFFAOYSA-N 0 1 298.295 1.007 20 5 CDBDMN CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@@H+](CC)[C@@H](C)C1 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BKEGRQIGAMOCRW-JTQLQIEISA-N 0 1 289.291 1.285 20 5 CDBDMN COc1cc([N+](=O)[O-])c(NCC2CN(C)C2)cc1F ZINC001170254500 1162326322 /nfs/dbraw/zinc/32/63/22/1162326322.db2.gz NYRRTKURCBVRIV-UHFFFAOYSA-N 0 1 269.276 1.716 20 5 CDBDMN C[C@@H](OC(=O)[C@H]1CCCN1)c1cccc([N+](=O)[O-])c1 ZINC001573590852 1170702127 /nfs/dbraw/zinc/70/21/27/1170702127.db2.gz YCSASZOEOPTGRE-BXKDBHETSA-N 0 1 264.281 1.951 20 5 CDBDMN C[C@H](NC(=O)N1CCN[C@@H]2C[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC001579481409 1172194931 /nfs/dbraw/zinc/19/49/31/1172194931.db2.gz OGLQESSJRUDSKO-NDMJEZRESA-N 0 1 290.323 1.412 20 5 CDBDMN Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001600304689 1174441528 /nfs/dbraw/zinc/44/15/28/1174441528.db2.gz GJPNDYSXJLGPPK-WCQYABFASA-N 0 1 294.307 1.171 20 5 CDBDMN Cc1nc(N2C[C@@H](C)N(C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000590696185 719249430 /nfs/dbraw/zinc/24/94/30/719249430.db2.gz HKFYNADNVJZKCR-BDAKNGLRSA-N 0 1 265.317 1.222 20 5 CDBDMN COc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c2ncccc12 ZINC000839728967 790317666 /nfs/dbraw/zinc/31/76/66/790317666.db2.gz TWCKQLPKBHPKCB-MWLCHTKSSA-N 0 1 287.275 1.847 20 5 CDBDMN C[C@@H]1c2ccc(Cl)n2CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000848086928 790417834 /nfs/dbraw/zinc/41/78/34/790417834.db2.gz OZZAYFJBKAQDIB-NQMVMOMDSA-N 0 1 283.715 1.710 20 5 CDBDMN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCN1 ZINC000702055446 790854151 /nfs/dbraw/zinc/85/41/51/790854151.db2.gz KBIWWWYHYUEGRV-MRVPVSSYSA-N 0 1 283.715 1.682 20 5 CDBDMN C[C@H]1C[C@@H](C(=O)OCc2cc(O)ccc2[N+](=O)[O-])CO1 ZINC000837655308 791027726 /nfs/dbraw/zinc/02/77/26/791027726.db2.gz FOYMMNOFDMKDFQ-WCBMZHEXSA-N 0 1 281.264 1.769 20 5 CDBDMN Cc1cccc([N+](=O)[O-])c1NCC[N@@H+](C)CCO ZINC000884823988 791151725 /nfs/dbraw/zinc/15/17/25/791151725.db2.gz NEFCDFVMVKGFJX-UHFFFAOYSA-N 0 1 253.302 1.239 20 5 CDBDMN CCCCc1noc([C@H](C)OC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000840672146 789896516 /nfs/dbraw/zinc/89/65/16/789896516.db2.gz DWNJBCVIETYNNV-DJLDLDEBSA-N 0 1 283.284 1.682 20 5 CDBDMN CC(C)c1cnc(COC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC000841174283 789975149 /nfs/dbraw/zinc/97/51/49/789975149.db2.gz VJMSTSARIFAKJB-HTQZYQBOSA-N 0 1 270.310 1.975 20 5 CDBDMN CSc1nc(=O)n(Cc2ccc(C)c([N+](=O)[O-])c2)[nH]1 ZINC000865364502 789983413 /nfs/dbraw/zinc/98/34/13/789983413.db2.gz JEZGFQKYRWVIQE-UHFFFAOYSA-N 0 1 280.309 1.558 20 5 CDBDMN O=C(N[C@H](CCO)c1cccs1)c1n[nH]cc1[N+](=O)[O-] ZINC000779270228 790082415 /nfs/dbraw/zinc/08/24/15/790082415.db2.gz WVTUKVMUXGBCRI-SSDOTTSWSA-N 0 1 296.308 1.233 20 5 CDBDMN COc1cc(C(=O)OCc2c[nH]nn2)cc([N+](=O)[O-])c1C ZINC000838898331 790085293 /nfs/dbraw/zinc/08/52/93/790085293.db2.gz SBDVAFHSFSXFCV-UHFFFAOYSA-N 0 1 292.251 1.387 20 5 CDBDMN CC(C)C[C@@H](O)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780655512 791238755 /nfs/dbraw/zinc/23/87/55/791238755.db2.gz AMEXZISGVVVMAF-GFCCVEGCSA-N 0 1 282.296 1.437 20 5 CDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1c1ccccn1 ZINC000839572967 791886035 /nfs/dbraw/zinc/88/60/35/791886035.db2.gz NNLJNKMGSXDBPJ-YUSALJHKSA-N 0 1 261.281 1.410 20 5 CDBDMN CCO[C@@H]1C[C@H]1C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837447733 792033813 /nfs/dbraw/zinc/03/38/13/792033813.db2.gz SWPXTSJIRZEKBQ-ZYHUDNBSSA-N 0 1 281.264 1.769 20 5 CDBDMN CCN1CC[C@@H]1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000882959915 792408783 /nfs/dbraw/zinc/40/87/83/792408783.db2.gz TXSLCLGLOMYITI-SNVBAGLBSA-N 0 1 250.302 1.683 20 5 CDBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc(F)c1F ZINC000839717023 792863693 /nfs/dbraw/zinc/86/36/93/792863693.db2.gz FPBHIFZIWVBKPI-SKWCMTHISA-N 0 1 270.235 1.807 20 5 CDBDMN O=C(Nc1ccc2c(c1)NC(=O)CC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839690221 793085559 /nfs/dbraw/zinc/08/55/59/793085559.db2.gz IIZOLVVPNXRFBO-MWLCHTKSSA-N 0 1 275.264 1.175 20 5 CDBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000839723111 793164600 /nfs/dbraw/zinc/16/46/00/793164600.db2.gz PFNZBJPFLOLCNO-IYKVGLELSA-N 0 1 252.314 1.689 20 5 CDBDMN CCN1CC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000883152635 793176913 /nfs/dbraw/zinc/17/69/13/793176913.db2.gz BSEHZHFRTVFWCC-SNVBAGLBSA-N 0 1 296.302 1.950 20 5 CDBDMN Cc1[nH]ncc1CN(C)c1cc(F)c([N+](=O)[O-])cc1CO ZINC000865901017 793776290 /nfs/dbraw/zinc/77/62/90/793776290.db2.gz ILGALWDVPSKGSG-UHFFFAOYSA-N 0 1 294.286 1.894 20 5 CDBDMN C[C@@]1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])OCCc2sccc21 ZINC000839774967 793817879 /nfs/dbraw/zinc/81/78/79/793817879.db2.gz CHKIGFUWNWLRHA-JQEORGNBSA-N 0 1 296.348 1.317 20 5 CDBDMN CC(C)(C)O[C@@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1(C)C ZINC000839929874 793835682 /nfs/dbraw/zinc/83/56/82/793835682.db2.gz XKSFNBCLHOGOKN-CHWFTXMASA-N 0 1 284.356 1.750 20 5 CDBDMN CN(Cc1nnc[nH]1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000135050954 793846689 /nfs/dbraw/zinc/84/66/89/793846689.db2.gz LTRAPUPNJZMZTM-UHFFFAOYSA-N 0 1 295.686 1.639 20 5 CDBDMN O=[N+]([O-])c1cccc(CNCCS(=O)(=O)C2CC2)c1 ZINC000840965113 794112446 /nfs/dbraw/zinc/11/24/46/794112446.db2.gz YKQDGOJEBJOAON-UHFFFAOYSA-N 0 1 284.337 1.262 20 5 CDBDMN CCN1CCN(Cc2cccnc2[N+](=O)[O-])C[C@H]1C ZINC000886087625 794585704 /nfs/dbraw/zinc/58/57/04/794585704.db2.gz XQDKZYOIGSLZTE-LLVKDONJSA-N 0 1 264.329 1.516 20 5 CDBDMN O=C(NCCC[C@@H]1CCCCO1)[C@@H]1CC1[N+](=O)[O-] ZINC000839726943 794705180 /nfs/dbraw/zinc/70/51/80/794705180.db2.gz UOLFXIGMDBLBSO-HBNTYKKESA-N 0 1 256.302 1.117 20 5 CDBDMN O=[N+]([O-])c1c(F)nccc1N1CC[C@@H](N2CC=CC2)C1 ZINC000882022039 794779632 /nfs/dbraw/zinc/77/96/32/794779632.db2.gz MKJRRGONNDJPHK-SNVBAGLBSA-N 0 1 278.287 1.579 20 5 CDBDMN O=C(OC[C@@H](F)COc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000842376003 794782911 /nfs/dbraw/zinc/78/29/11/794782911.db2.gz HWMASSUZVCGVKK-MVWJERBFSA-N 0 1 283.255 1.612 20 5 CDBDMN CC(C)O[C@@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1(C)C ZINC000839724619 794862433 /nfs/dbraw/zinc/86/24/33/794862433.db2.gz JIJDYLKZQQXDJM-CHWFTXMASA-N 0 1 270.329 1.360 20 5 CDBDMN CS[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)(C)C ZINC000839722857 794867607 /nfs/dbraw/zinc/86/76/07/794867607.db2.gz LHFHDMJVSRZTOK-HLTSFMKQSA-N 0 1 260.359 1.546 20 5 CDBDMN COc1ccc(COC(=O)c2ccc([N+](=O)[O-])[nH]2)nn1 ZINC000800455795 794934096 /nfs/dbraw/zinc/93/40/96/794934096.db2.gz VPAXZBWTNCXNKL-UHFFFAOYSA-N 0 1 278.224 1.079 20 5 CDBDMN CC(C)(C)OC(=O)N1CC[C@@H]2CN(CC[N+](=O)[O-])CC[C@@H]21 ZINC000930553861 795163119 /nfs/dbraw/zinc/16/31/19/795163119.db2.gz YQKHXERLZQUOJP-NEPJUHHUSA-N 0 1 299.371 1.594 20 5 CDBDMN CC1(C)C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C(C)(C)O1 ZINC000839723430 795296403 /nfs/dbraw/zinc/29/64/03/795296403.db2.gz IVAJJHSABHMFCY-IWSPIJDZSA-N 0 1 256.302 1.114 20 5 CDBDMN C[C@H]1CNCCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702057764 795757665 /nfs/dbraw/zinc/75/76/65/795757665.db2.gz ZDUZYESUZFGHIS-QMMMGPOBSA-N 0 1 283.715 1.682 20 5 CDBDMN O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1F)[C@@H]1CC1[N+](=O)[O-] ZINC000863391480 795838220 /nfs/dbraw/zinc/83/82/20/795838220.db2.gz LJUXVBUZFHMOAG-LUTQBAROSA-N 0 1 282.246 1.602 20 5 CDBDMN COC(OC)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000848027532 795872191 /nfs/dbraw/zinc/87/21/91/795872191.db2.gz CTTMYBRSFDURQQ-IJLUTSLNSA-N 0 1 294.307 1.128 20 5 CDBDMN Cc1noc(C)c1C(C)(C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840459113 795894673 /nfs/dbraw/zinc/89/46/73/795894673.db2.gz PBBJMKCEOJTDPF-RKDXNWHRSA-N 0 1 267.285 1.308 20 5 CDBDMN C[C@](O)(CC(=O)OCc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000837595397 796060391 /nfs/dbraw/zinc/06/03/91/796060391.db2.gz FLGGMOMQQUGQCB-AWEZNQCLSA-N 0 1 295.291 1.895 20 5 CDBDMN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](C(F)(F)F)C1 ZINC000878314985 796271399 /nfs/dbraw/zinc/27/13/99/796271399.db2.gz CBNPSUILWPVQMD-SECBINFHSA-N 0 1 292.261 1.984 20 5 CDBDMN CON(C)C(=O)[C@@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000858325584 796396861 /nfs/dbraw/zinc/39/68/61/796396861.db2.gz FAFMEGACICNHFY-SECBINFHSA-N 0 1 267.285 1.093 20 5 CDBDMN C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC001120809194 912545846 /nfs/dbraw/zinc/54/58/46/912545846.db2.gz LCFBLTNHNVWWBJ-LLVKDONJSA-N 0 1 293.323 1.515 20 5 CDBDMN CN1CC[C@H](Nc2cnc(Cl)cc2[N+](=O)[O-])C1 ZINC001167273040 895013700 /nfs/dbraw/zinc/01/37/00/895013700.db2.gz OAKWGNYCZFDMQM-ZETCQYMHSA-N 0 1 256.693 1.759 20 5 CDBDMN COCC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccco1 ZINC000839721999 905472395 /nfs/dbraw/zinc/47/23/95/905472395.db2.gz SRUSYDABOQAMQQ-OPRDCNLKSA-N 0 1 268.269 1.139 20 5 CDBDMN Cc1c(CNC(=O)NC[C@@H]2CCN2C)cccc1[N+](=O)[O-] ZINC000922168673 921306893 /nfs/dbraw/zinc/30/68/93/921306893.db2.gz UPNBQULHWDFNIX-LBPRGKRZSA-N 0 1 292.339 1.407 20 5 CDBDMN O=C(O[C@@H]1CCCC12CCOCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000842353362 909768665 /nfs/dbraw/zinc/76/86/65/909768665.db2.gz OKSQINXDBQKFIH-GMTAPVOTSA-N 0 1 269.297 1.544 20 5 CDBDMN C[C@@H](C(=O)OCc1c[nH]nn1)c1ccc([N+](=O)[O-])cc1F ZINC000838898454 936894610 /nfs/dbraw/zinc/89/46/10/936894610.db2.gz UUWVNZUPLNYRCQ-SSDOTTSWSA-N 0 1 294.242 1.699 20 5 CDBDMN O=C1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC[C@H]1F ZINC001169010624 927616138 /nfs/dbraw/zinc/61/61/38/927616138.db2.gz FGAVZWUVQFTFMX-HBNTYKKESA-N 0 1 258.293 1.435 20 5 CDBDMN COc1ncnc2c1CCN([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169038096 927647703 /nfs/dbraw/zinc/64/77/03/927647703.db2.gz VIAHNFWONLGGIB-QWRGUYRKSA-N 0 1 292.339 1.289 20 5 CDBDMN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCc3ncncc3C2)C1 ZINC001169038281 927649536 /nfs/dbraw/zinc/64/95/36/927649536.db2.gz XROUDOBYJWQGBJ-CMPLNLGQSA-N 0 1 262.313 1.280 20 5 CDBDMN CCOc1cc([N+](=O)[O-])ccc1N[C@@](N)(CC)CO ZINC001170864417 930511790 /nfs/dbraw/zinc/51/17/90/930511790.db2.gz HVMAEHCGWRWYSW-LBPRGKRZSA-N 0 1 269.301 1.463 20 5 CDBDMN O=C1NC(=O)[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])S1 ZINC001155838019 937680098 /nfs/dbraw/zinc/68/00/98/937680098.db2.gz VVELTXRCVQJZLF-SSDOTTSWSA-N 0 1 288.672 1.364 20 5 CDBDMN CCCN1CCCC[C@H]1C(=O)OCCC[N+](=O)[O-] ZINC001123001608 936101763 /nfs/dbraw/zinc/10/17/63/936101763.db2.gz YGMXWSIFDNCGQO-NSHDSACASA-N 0 1 258.318 1.461 20 5 CDBDMN CC(F)(F)C(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001122568535 937942313 /nfs/dbraw/zinc/94/23/13/937942313.db2.gz CCBSUBHEFCCOSE-UHFFFAOYSA-N 0 1 293.295 1.517 20 5 CDBDMN Cc1cc(C)c([N+](=O)[O-])c(-n2c(CN)nc3cnccc32)n1 ZINC001162215542 938962858 /nfs/dbraw/zinc/96/28/58/938962858.db2.gz GWZPJROUHPTMFI-UHFFFAOYSA-N 0 1 298.306 1.799 20 5 CDBDMN Nc1ccnc(N[C@H]2CNCc3ccsc32)c1[N+](=O)[O-] ZINC001163226558 939228955 /nfs/dbraw/zinc/22/89/55/939228955.db2.gz IZRHVKUWVAGTFP-VIFPVBQESA-N 0 1 291.336 1.890 20 5 CDBDMN CCc1ccc(C(=O)OCc2nnc[nH]2)cc1[N+](=O)[O-] ZINC001330173146 941686128 /nfs/dbraw/zinc/68/61/28/941686128.db2.gz HVQFWZBVFOUIHO-UHFFFAOYSA-N 0 1 276.252 1.632 20 5 CDBDMN CCN1CC[C@@H](Oc2[nH]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225666154 941897071 /nfs/dbraw/zinc/89/70/71/941897071.db2.gz GXONDMGDZIRDIW-MRVPVSSYSA-N 0 1 253.258 1.168 20 5 CDBDMN CO[C@@H]1CC[N@@H+](CCOc2ccc(C)nc2[N+](=O)[O-])C1 ZINC001227224018 942153031 /nfs/dbraw/zinc/15/30/31/942153031.db2.gz SIXDBRZAIWNRAI-LLVKDONJSA-N 0 1 281.312 1.398 20 5 CDBDMN CO[C@@H]1CCN(CCOc2ccc(C)nc2[N+](=O)[O-])C1 ZINC001227224018 942153035 /nfs/dbraw/zinc/15/30/35/942153035.db2.gz SIXDBRZAIWNRAI-LLVKDONJSA-N 0 1 281.312 1.398 20 5 CDBDMN C[C@@H]1COCC[C@@H]1Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-] ZINC001228609154 942342297 /nfs/dbraw/zinc/34/22/97/942342297.db2.gz ACFVPKSVPMSPLG-APPZFPTMSA-N 0 1 295.295 1.772 20 5 CDBDMN CC[C@@H](COc1cc(O)c(C(=O)OC)cc1[N+](=O)[O-])OC ZINC001228813653 942381134 /nfs/dbraw/zinc/38/11/34/942381134.db2.gz FJCDVCWMEGMDLA-QMMMGPOBSA-N 0 1 299.279 1.891 20 5 CDBDMN Cc1nc(O[C@@H]2C[C@H]3CC[C@@H]2C3)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229377361 942460811 /nfs/dbraw/zinc/46/08/11/942460811.db2.gz BGHHLOPVOMLMTF-DJLDLDEBSA-N 0 1 265.269 1.966 20 5 CDBDMN COc1ccc([N+](=O)[O-])c(O[C@@H]2CCN(C)C2)n1 ZINC001234880273 943965656 /nfs/dbraw/zinc/96/56/56/943965656.db2.gz ZWRCQDJRCDRYMS-MRVPVSSYSA-N 0 1 253.258 1.081 20 5 CDBDMN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC3(COC3)C1)C2 ZINC001254599675 947550242 /nfs/dbraw/zinc/55/02/42/947550242.db2.gz OJIYIPIRJMNBHN-CYBMUJFWSA-N 0 1 260.293 1.394 20 5 CDBDMN CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@H](C)C(=O)[O-] ZINC001589736580 950542787 /nfs/dbraw/zinc/54/27/87/950542787.db2.gz CKRGFFUDLYCTBD-SECBINFHSA-N 0 1 282.296 1.898 20 5 CDBDMN CCN(CC)CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001304500699 956197648 /nfs/dbraw/zinc/19/76/48/956197648.db2.gz LZINZDLZHKGANU-UHFFFAOYSA-N 0 1 280.328 1.766 20 5 CDBDMN Cc1nn(C[N@@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC001594489397 959683731 /nfs/dbraw/zinc/68/37/31/959683731.db2.gz WMOHMCNNKDNTMI-KCJUWKMLSA-N 0 1 296.327 1.408 20 5 CDBDMN Cc1nn(C[N@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC001594489397 959683738 /nfs/dbraw/zinc/68/37/38/959683738.db2.gz WMOHMCNNKDNTMI-KCJUWKMLSA-N 0 1 296.327 1.408 20 5 CDBDMN Cc1cc(C[C@@H](C)Nc2c(C)cncc2[N+](=O)[O-])[nH]n1 ZINC001339629204 962454964 /nfs/dbraw/zinc/45/49/64/962454964.db2.gz PECJSWUUVHLGEU-SECBINFHSA-N 0 1 275.312 1.795 20 5 CDBDMN 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CC[C@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])[C@H](C)CO1 ZINC000593807886 342837497 /nfs/dbraw/zinc/83/74/97/342837497.db2.gz QKVHAGOWUOTXLS-APPZFPTMSA-N 0 1 282.300 1.266 20 5 CDBDMN CO[C@H]1COC[C@@H]1N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000290021070 361975490 /nfs/dbraw/zinc/97/54/90/361975490.db2.gz BAOAZLXAULWACI-XDTLVQLUSA-N 0 1 266.297 1.659 20 5 CDBDMN COCCOCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595010912 342990260 /nfs/dbraw/zinc/99/02/60/342990260.db2.gz ZXVLKGIZZCWVPZ-NSHDSACASA-N 0 1 298.339 1.917 20 5 CDBDMN NC(=O)C[C@H]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595338014 343030077 /nfs/dbraw/zinc/03/00/77/343030077.db2.gz OHLRNZMVURFVCD-SNVBAGLBSA-N 0 1 295.314 1.821 20 5 CDBDMN CN(C)C(=O)[C@@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595543446 343094008 /nfs/dbraw/zinc/09/40/08/343094008.db2.gz JRNHZBRCLNHUPB-LLVKDONJSA-N 0 1 295.314 1.644 20 5 CDBDMN C[C@H](CC(C)(C)C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000457201104 365714162 /nfs/dbraw/zinc/71/41/62/365714162.db2.gz 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358018847 /nfs/dbraw/zinc/01/88/47/358018847.db2.gz GBEYPZZOFIBIQQ-UHFFFAOYSA-N 0 1 278.312 1.674 20 5 CDBDMN CO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H](C(=O)[O-])C1 ZINC000566511258 358028140 /nfs/dbraw/zinc/02/81/40/358028140.db2.gz NSELMGFJTHGBHG-OLZOCXBDSA-N 0 1 294.307 1.659 20 5 CDBDMN Cc1n[nH]c(C(=O)N2CCN(C)C[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000408202208 358384570 /nfs/dbraw/zinc/38/45/70/358384570.db2.gz IEIPAIGWCKCUCG-JTQLQIEISA-N 0 1 295.343 1.039 20 5 CDBDMN O=[N+]([O-])c1ccc(Cl)cc1CN[C@H]1C[C@@H](O)C1 ZINC000294948612 199265646 /nfs/dbraw/zinc/26/56/46/199265646.db2.gz VVNDLBZTVCAZSI-AOOOYVTPSA-N 0 1 256.689 1.861 20 5 CDBDMN Cc1cc(C(=O)N[C@H](C)c2nnc[nH]2)cc([N+](=O)[O-])c1 ZINC000176192949 358736799 /nfs/dbraw/zinc/73/67/99/358736799.db2.gz CONIHYNMPADHSJ-MRVPVSSYSA-N 0 1 275.268 1.512 20 5 CDBDMN COCCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000103201226 358908879 /nfs/dbraw/zinc/90/88/79/358908879.db2.gz OYHWKAJSFZRGCU-UHFFFAOYSA-N 0 1 291.267 1.355 20 5 CDBDMN C[C@H](O)CN(C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000159334214 358973929 /nfs/dbraw/zinc/97/39/29/358973929.db2.gz XCGMKDOKRYMMKW-UWVGGRQHSA-N 0 1 281.312 1.234 20 5 CDBDMN O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000331604595 359025739 /nfs/dbraw/zinc/02/57/39/359025739.db2.gz ZJZONTJPUFOPJA-SNVBAGLBSA-N 0 1 291.307 1.267 20 5 CDBDMN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cnc[nH]1 ZINC000338170790 359094968 /nfs/dbraw/zinc/09/49/68/359094968.db2.gz VMMLSWQVLOZVPM-UHFFFAOYSA-N 0 1 274.280 1.633 20 5 CDBDMN C[C@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000299595770 200795053 /nfs/dbraw/zinc/79/50/53/200795053.db2.gz FMBUEOXELKLEOY-QMMMGPOBSA-N 0 1 274.280 1.953 20 5 CDBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000070075759 361237428 /nfs/dbraw/zinc/23/74/28/361237428.db2.gz BELLVBZRYAUGNK-PHIMTYICSA-N 0 1 277.324 1.726 20 5 CDBDMN C[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@@H](C)N1 ZINC000070076267 361238267 /nfs/dbraw/zinc/23/82/67/361238267.db2.gz LRTNERUJYWONOA-ZOUVEMKTSA-N 0 1 289.335 1.817 20 5 CDBDMN O=C(N[C@H]1CCN(C2CC2)C1)c1csc([N+](=O)[O-])c1 ZINC000144287957 364609866 /nfs/dbraw/zinc/60/98/66/364609866.db2.gz MCJFEVZGFSZSPU-VIFPVBQESA-N 0 1 281.337 1.623 20 5 CDBDMN COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H](C)C(=O)[O-] ZINC000042704861 364612479 /nfs/dbraw/zinc/61/24/79/364612479.db2.gz BXVSAWSYRZUYIA-VIFPVBQESA-N 0 1 282.296 1.756 20 5 CDBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC1CCC1 ZINC000336786258 364731784 /nfs/dbraw/zinc/73/17/84/364731784.db2.gz BNPUTALGHGXEFP-UHFFFAOYSA-N 0 1 274.273 1.565 20 5 CDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCSC[C@@H]1c1ccccc1 ZINC000363223793 296073334 /nfs/dbraw/zinc/07/33/34/296073334.db2.gz JOKGODUXFXMXKK-JHJVBQTASA-N 0 1 292.360 1.968 20 5 CDBDMN CC(C)(O)C1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000275540132 193071313 /nfs/dbraw/zinc/07/13/13/193071313.db2.gz CVMHWKGXTASNGI-CYBMUJFWSA-N 0 1 280.324 1.331 20 5 CDBDMN Cc1ccc(NC(=O)N2CCN[C@H](C)C2)cc1[N+](=O)[O-] ZINC000414665728 241312183 /nfs/dbraw/zinc/31/21/83/241312183.db2.gz VHZRCYZRNXWXQA-SNVBAGLBSA-N 0 1 278.312 1.729 20 5 CDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N(CCO)C1CCC1 ZINC000275938987 193168911 /nfs/dbraw/zinc/16/89/11/193168911.db2.gz XGFZIIKDPDGLSY-UHFFFAOYSA-N 0 1 280.280 1.287 20 5 CDBDMN C[C@@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H]1CO ZINC000276092272 193211819 /nfs/dbraw/zinc/21/18/19/193211819.db2.gz YVVLCEHDTFHORF-PRHODGIISA-N 0 1 280.280 1.143 20 5 CDBDMN C[C@H](NC(=O)CN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000295296829 369892806 /nfs/dbraw/zinc/89/28/06/369892806.db2.gz JACWDBWIIVESPU-VIFPVBQESA-N 0 1 251.286 1.334 20 5 CDBDMN CSCC1CCC(NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000295431935 370240261 /nfs/dbraw/zinc/24/02/61/370240261.db2.gz JQGOTPHCUROLHH-UHFFFAOYSA-N 0 1 298.368 1.970 20 5 CDBDMN Cc1ccc([C@@H](C)NC(=O)c2ncn[nH]2)cc1[N+](=O)[O-] ZINC000269569531 370641789 /nfs/dbraw/zinc/64/17/89/370641789.db2.gz SZVLATVCTGUAPG-MRVPVSSYSA-N 0 1 275.268 1.512 20 5 CDBDMN Cc1ccc([C@@H](C)NC(=O)c2nc[nH]n2)cc1[N+](=O)[O-] ZINC000269569531 370641791 /nfs/dbraw/zinc/64/17/91/370641791.db2.gz SZVLATVCTGUAPG-MRVPVSSYSA-N 0 1 275.268 1.512 20 5 CDBDMN CN(Cc1cnn(C)c1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269644782 373302389 /nfs/dbraw/zinc/30/23/89/373302389.db2.gz DNHKHIQYBAAKNO-CQSZACIVSA-N 0 1 290.323 1.494 20 5 CDBDMN CCc1nc(NC(=O)C=Cc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000122917060 373687658 /nfs/dbraw/zinc/68/76/58/373687658.db2.gz BOHGXSOTKNGLPI-VOTSOKGWSA-N 0 1 287.279 1.927 20 5 CDBDMN CCc1n[nH]c(NC(=O)C=Cc2cccc([N+](=O)[O-])c2)n1 ZINC000122917060 373687664 /nfs/dbraw/zinc/68/76/64/373687664.db2.gz BOHGXSOTKNGLPI-VOTSOKGWSA-N 0 1 287.279 1.927 20 5 CDBDMN CCCN(CCOc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000429160543 374570346 /nfs/dbraw/zinc/57/03/46/374570346.db2.gz HMQJCWVNAOFXMJ-UHFFFAOYSA-N 0 1 281.312 1.171 20 5 CDBDMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](O)COC ZINC000117946158 374611794 /nfs/dbraw/zinc/61/17/94/374611794.db2.gz KRJMUFIVEOKWHN-GFCCVEGCSA-N 0 1 284.312 1.090 20 5 CDBDMN O=C(N[C@@H]1CCC[C@@H]1CCO)c1cc(O)cc([N+](=O)[O-])c1 ZINC000275237367 374692742 /nfs/dbraw/zinc/69/27/42/374692742.db2.gz VZJADOKBZBPDRU-NOZJJQNGSA-N 0 1 294.307 1.581 20 5 CDBDMN CC(C)[NH+]1CC(NC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000275220339 374694130 /nfs/dbraw/zinc/69/41/30/374694130.db2.gz LAYWWGBFXHZCDG-UHFFFAOYSA-N 0 1 279.296 1.123 20 5 CDBDMN O=C(NCC[N@@H+]1CC=CCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000279904824 374974232 /nfs/dbraw/zinc/97/42/32/374974232.db2.gz QVVMEYWPFZJZOX-UHFFFAOYSA-N 0 1 290.323 1.978 20 5 CDBDMN O=C(NCCN1CC=CCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000279904824 374974237 /nfs/dbraw/zinc/97/42/37/374974237.db2.gz QVVMEYWPFZJZOX-UHFFFAOYSA-N 0 1 290.323 1.978 20 5 CDBDMN O=C(NCC[N@@H+]1CC=CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000280259305 374988899 /nfs/dbraw/zinc/98/88/99/374988899.db2.gz OIOPHWJZTPNLGJ-UHFFFAOYSA-N 0 1 291.307 1.292 20 5 CDBDMN Cc1[nH]nc(C(=O)N2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000299447741 375172855 /nfs/dbraw/zinc/17/28/55/375172855.db2.gz OMXFGAHUNRUYDQ-UHFFFAOYSA-N 0 1 292.320 1.886 20 5 CDBDMN CCS[C@H]1CCC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000131679291 375312785 /nfs/dbraw/zinc/31/27/85/375312785.db2.gz IKFARXKQQHZBQR-APPZFPTMSA-N 0 1 284.341 1.722 20 5 CDBDMN COC[C@@H](CNCc1csc([N+](=O)[O-])c1)OC ZINC000227705877 375595161 /nfs/dbraw/zinc/59/51/61/375595161.db2.gz YODCLDHTVALPMO-SECBINFHSA-N 0 1 260.315 1.407 20 5 CDBDMN CCc1nn(C)c(N[C@H](C)c2nnc[nH]2)c1[N+](=O)[O-] ZINC000230432778 375582580 /nfs/dbraw/zinc/58/25/80/375582580.db2.gz VDGZZVRFVTZYSU-ZCFIWIBFSA-N 0 1 265.277 1.182 20 5 CDBDMN CC[C@@H](C)[C@@](C)(O)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356595385 375854188 /nfs/dbraw/zinc/85/41/88/375854188.db2.gz MRLCOVONIWZXQD-OTYXRUKQSA-N 0 1 296.323 1.827 20 5 CDBDMN CCC[C@@](C)(CO)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000357496475 375913345 /nfs/dbraw/zinc/91/33/45/375913345.db2.gz MNSTZDSUWDMMPG-ZDUSSCGKSA-N 0 1 282.296 1.581 20 5 CDBDMN C[C@H](C(=O)[O-])[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000054068088 376502223 /nfs/dbraw/zinc/50/22/23/376502223.db2.gz OFFQYXSGLAQCNX-SECBINFHSA-N 0 1 252.270 1.542 20 5 CDBDMN Nc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CC=CCC1 ZINC000280261015 194770770 /nfs/dbraw/zinc/77/07/70/194770770.db2.gz OLMJLJJFDGMVRT-UHFFFAOYSA-N 0 1 290.323 1.169 20 5 CDBDMN CC[N@@H+]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000288656191 197138699 /nfs/dbraw/zinc/13/86/99/197138699.db2.gz ZZTDVOMGSGGKJD-SNVBAGLBSA-N 0 1 293.323 1.467 20 5 CDBDMN CC[N@H+]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000288656191 197138701 /nfs/dbraw/zinc/13/87/01/197138701.db2.gz ZZTDVOMGSGGKJD-SNVBAGLBSA-N 0 1 293.323 1.467 20 5 CDBDMN CC(C)CO[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000119746798 390651943 /nfs/dbraw/zinc/65/19/43/390651943.db2.gz XZFUKHGLQIRUCP-ZDUSSCGKSA-N 0 1 282.344 1.538 20 5 CDBDMN C[C@H](O)CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000438997904 391375387 /nfs/dbraw/zinc/37/53/87/391375387.db2.gz IKEVEWLAGFPWNZ-LBPRGKRZSA-N 0 1 279.340 1.488 20 5 CDBDMN Cc1n[nH]c(C(=O)N[C@H]2CCCc3cn[nH]c32)c1[N+](=O)[O-] ZINC000268976599 391476433 /nfs/dbraw/zinc/47/64/33/391476433.db2.gz MMCUZYGVPRJZIL-QMMMGPOBSA-N 0 1 290.283 1.157 20 5 CDBDMN C[C@@H](O)CN(C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000245799859 131088899 /nfs/dbraw/zinc/08/88/99/131088899.db2.gz PETHYBJMNMLEFF-NXEZZACHSA-N 0 1 281.312 1.234 20 5 CDBDMN COCCN1CC[C@@H](Nc2nc(C)ccc2[N+](=O)[O-])C1 ZINC000268779576 132065089 /nfs/dbraw/zinc/06/50/89/132065089.db2.gz BRFTXPRBQNYPLF-LLVKDONJSA-N 0 1 280.328 1.431 20 5 CDBDMN COc1cc([N+](=O)[O-])ccc1CN(C)Cc1nnc[nH]1 ZINC000430202720 393090399 /nfs/dbraw/zinc/09/03/99/393090399.db2.gz HJSDQMPRWNQBTG-UHFFFAOYSA-N 0 1 277.284 1.354 20 5 CDBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1CCO ZINC000430223256 393095461 /nfs/dbraw/zinc/09/54/61/393095461.db2.gz URKHRCCCSVTKRH-GFCCVEGCSA-N 0 1 280.324 1.950 20 5 CDBDMN CCN1C[C@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000391634209 393149999 /nfs/dbraw/zinc/14/99/99/393149999.db2.gz MFJLWKIIUDWVQR-ZYHUDNBSSA-N 0 1 277.324 1.866 20 5 CDBDMN O=[N+]([O-])c1ccc2oc(CN(CCO)CC3CC3)nc2c1 ZINC000352448864 155195238 /nfs/dbraw/zinc/19/52/38/155195238.db2.gz JJHNTHVDGRUHRR-UHFFFAOYSA-N 0 1 291.307 1.940 20 5 CDBDMN CCC[C@@H]1CNCCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000262475167 149068419 /nfs/dbraw/zinc/06/84/19/149068419.db2.gz YTSSGPJBNYOEJA-LLVKDONJSA-N 0 1 292.339 1.391 20 5 CDBDMN C[C@@H](C(=O)[O-])[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000262676323 149094529 /nfs/dbraw/zinc/09/45/29/149094529.db2.gz UGIGOUOIGNMZLL-JTQLQIEISA-N 0 1 282.296 1.769 20 5 CDBDMN Cc1nc2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2[nH]1 ZINC000343170136 152058950 /nfs/dbraw/zinc/05/89/50/152058950.db2.gz CZFTZPYISJIVSO-UHFFFAOYSA-N 0 1 286.251 1.755 20 5 CDBDMN Cc1nc([C@@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000343362970 152139856 /nfs/dbraw/zinc/13/98/56/152139856.db2.gz 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COc1cc(CNc2n[nH]c(C)n2)cc([N+](=O)[O-])c1O ZINC000295882910 370725203 /nfs/dbraw/zinc/72/52/03/370725203.db2.gz HTRLZIAAWNECDR-UHFFFAOYSA-N 0 1 279.256 1.348 20 5 CDBDMN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1nnc[nH]1 ZINC000174519451 364215566 /nfs/dbraw/zinc/21/55/66/364215566.db2.gz RWFDKZOTFIKJLV-ZCFIWIBFSA-N 0 1 279.231 1.343 20 5 CDBDMN O=C(NC[C@H]1Cc2ccccc21)c1n[nH]cc1[N+](=O)[O-] ZINC000136763966 364660519 /nfs/dbraw/zinc/66/05/19/364660519.db2.gz QOSAXHZBPZXMJK-SECBINFHSA-N 0 1 272.264 1.388 20 5 CDBDMN C[C@@H]1C[C@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H](C)O1 ZINC000412653014 240308565 /nfs/dbraw/zinc/30/85/65/240308565.db2.gz MMXQUCWIESQSOU-WCABBAIRSA-N 0 1 294.307 1.844 20 5 CDBDMN CC(C)c1nc([C@H](C)Nc2c([N+](=O)[O-])ncn2C)n[nH]1 ZINC000270639700 366913918 /nfs/dbraw/zinc/91/39/18/366913918.db2.gz HQWSXMLYCHPDIT-ZETCQYMHSA-N 0 1 279.304 1.743 20 5 CDBDMN O=C(N[C@H]1C[C@H]1Cc1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000270817780 366935947 /nfs/dbraw/zinc/93/59/47/366935947.db2.gz PUWPZPIJYJJWRU-MNOVXSKESA-N 0 1 286.291 1.679 20 5 CDBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC(N(C)C)C1 ZINC000272543098 367760894 /nfs/dbraw/zinc/76/08/94/367760894.db2.gz HGMRBOYHPUZGJP-UHFFFAOYSA-N 0 1 292.339 1.989 20 5 CDBDMN COC[C@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000269209546 367930322 /nfs/dbraw/zinc/93/03/22/367930322.db2.gz VKHCZTPNFWFKJA-JTQLQIEISA-N 0 1 294.307 1.799 20 5 CDBDMN O=C(NO[C@@H]1CCCCO1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269218979 367946609 /nfs/dbraw/zinc/94/66/09/367946609.db2.gz ZPUBXBHEDGZZGL-LLVKDONJSA-N 0 1 282.252 1.488 20 5 CDBDMN C[C@H]1COCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000371100579 374408559 /nfs/dbraw/zinc/40/85/59/374408559.db2.gz PGJKUTQLCBCQEN-BXUZGUMPSA-N 0 1 280.324 1.597 20 5 CDBDMN C[C@@H](CS(C)(=O)=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000081907673 374561609 /nfs/dbraw/zinc/56/16/09/374561609.db2.gz NNRRRARIALDXAY-UWVGGRQHSA-N 0 1 286.353 1.679 20 5 CDBDMN Cc1[nH]nc(C(=O)N2CCS[C@H](C)CC2)c1[N+](=O)[O-] ZINC000277946342 374825563 /nfs/dbraw/zinc/82/55/63/374825563.db2.gz VOKMQPYGSAALGO-SSDOTTSWSA-N 0 1 284.341 1.594 20 5 CDBDMN CCCc1[nH]nc(C(=O)N(C)CCF)c1[N+](=O)[O-] ZINC000293831152 374964501 /nfs/dbraw/zinc/96/45/01/374964501.db2.gz BRCHYKBSVITAJR-UHFFFAOYSA-N 0 1 258.253 1.312 20 5 CDBDMN CC(C)c1[nH]nc(C(=O)N(C)CC(F)F)c1[N+](=O)[O-] ZINC000331223892 374909532 /nfs/dbraw/zinc/90/95/32/374909532.db2.gz WTTHIFJNXWJUPB-UHFFFAOYSA-N 0 1 276.243 1.778 20 5 CDBDMN CC[C@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1O ZINC000283268145 375112157 /nfs/dbraw/zinc/11/21/57/375112157.db2.gz WLAZCQBLSXRQRG-GXFFZTMASA-N 0 1 268.288 1.937 20 5 CDBDMN COc1cc(CNC[C@H](O)C(F)F)c([N+](=O)[O-])cc1O ZINC000344766334 375430795 /nfs/dbraw/zinc/43/07/95/375430795.db2.gz XMOZYTRPEXQRRS-VIFPVBQESA-N 0 1 292.238 1.025 20 5 CDBDMN CC[C@H](CO)N(C)Cc1ccc([N+](=O)[O-])cc1F ZINC000294046968 375654963 /nfs/dbraw/zinc/65/49/63/375654963.db2.gz JCJSHTZOXUWXKO-SNVBAGLBSA-N 0 1 256.277 1.937 20 5 CDBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](C(N)=O)C1 ZINC000347353779 375811881 /nfs/dbraw/zinc/81/18/81/375811881.db2.gz HJRYCEMNVBFPRB-YLBKJLTLSA-N 0 1 289.335 1.805 20 5 CDBDMN CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000356791774 375861443 /nfs/dbraw/zinc/86/14/43/375861443.db2.gz VHPROGKEGKAOQW-VIFPVBQESA-N 0 1 296.327 1.154 20 5 CDBDMN CC(C)[N@H+](C)C[C@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000356791774 375861446 /nfs/dbraw/zinc/86/14/46/375861446.db2.gz VHPROGKEGKAOQW-VIFPVBQESA-N 0 1 296.327 1.154 20 5 CDBDMN CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000356791774 375861450 /nfs/dbraw/zinc/86/14/50/375861450.db2.gz VHPROGKEGKAOQW-VIFPVBQESA-N 0 1 296.327 1.154 20 5 CDBDMN C[C@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000358248957 375958426 /nfs/dbraw/zinc/95/84/26/375958426.db2.gz IQIJVDXEAHNOFK-ZJUUUORDSA-N 0 1 286.353 1.679 20 5 CDBDMN CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CCC(=O)[O-] ZINC000574524940 295014044 /nfs/dbraw/zinc/01/40/44/295014044.db2.gz LIKRYBCZKAIGTK-UHFFFAOYSA-N 0 1 282.296 1.770 20 5 CDBDMN CCc1[nH]nc(C(=O)N(C)Cc2cccnc2)c1[N+](=O)[O-] ZINC000171921161 377169214 /nfs/dbraw/zinc/16/92/14/377169214.db2.gz HIGPCIOCQKKWOI-UHFFFAOYSA-N 0 1 289.295 1.548 20 5 CDBDMN CC1(C)CN(CCn2ccc([N+](=O)[O-])n2)CC(C)(C)O1 ZINC000190524513 377757039 /nfs/dbraw/zinc/75/70/39/377757039.db2.gz BCTFNTAYUFYPAJ-UHFFFAOYSA-N 0 1 282.344 1.681 20 5 CDBDMN CC(C)N1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173057458 377846622 /nfs/dbraw/zinc/84/66/22/377846622.db2.gz MZJIRNIPUNGQOD-UHFFFAOYSA-N 0 1 291.351 1.690 20 5 CDBDMN CN1CCC[C@@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266156871 190235589 /nfs/dbraw/zinc/23/55/89/190235589.db2.gz OGVDHKAGFDWGKS-CYBMUJFWSA-N 0 1 277.324 1.348 20 5 CDBDMN CCCN(CC(C)(C)O)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000278593220 194060592 /nfs/dbraw/zinc/06/05/92/194060592.db2.gz MPRLWITUXKFOLB-UHFFFAOYSA-N 0 1 298.343 1.503 20 5 CDBDMN C[C@@H](O)CN(C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000245773554 379327603 /nfs/dbraw/zinc/32/76/03/379327603.db2.gz KYPQJGCOJGOEEG-MFKMUULPSA-N 0 1 293.323 1.013 20 5 CDBDMN O=C(NC[C@H]1CCSC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000279248829 194350453 /nfs/dbraw/zinc/35/04/53/194350453.db2.gz RQAGZKZGPAZJMC-MRVPVSSYSA-N 0 1 282.321 1.783 20 5 CDBDMN CC[C@H](C)[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])OC ZINC000452417164 252057299 /nfs/dbraw/zinc/05/72/99/252057299.db2.gz ROOVMYMYFMIGLI-IONNQARKSA-N 0 1 270.289 1.109 20 5 CDBDMN CC(C)OC(=O)[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(C)C ZINC000452867552 252194118 /nfs/dbraw/zinc/19/41/18/252194118.db2.gz BBPMVGSBPRATAM-VIFPVBQESA-N 0 1 298.299 1.024 20 5 CDBDMN O=[N+]([O-])c1ccccc1CNC[C@H]1CCCS(=O)(=O)C1 ZINC000288318258 197050632 /nfs/dbraw/zinc/05/06/32/197050632.db2.gz AAQBNVPLRJENLI-LLVKDONJSA-N 0 1 298.364 1.509 20 5 CDBDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1c[nH]nn1 ZINC000450972835 390583457 /nfs/dbraw/zinc/58/34/57/390583457.db2.gz IWEILWKADWBCTK-UHFFFAOYSA-N 0 1 261.285 1.387 20 5 CDBDMN Cc1cnc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)o1 ZINC000356623237 391084057 /nfs/dbraw/zinc/08/40/57/391084057.db2.gz UMSUBBOIOHCBLK-UHFFFAOYSA-N 0 1 277.236 1.527 20 5 CDBDMN CCC(=O)[C@H]1CCCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000331040768 391158611 /nfs/dbraw/zinc/15/86/11/391158611.db2.gz DCCLONRNEBXVAL-SECBINFHSA-N 0 1 294.311 1.600 20 5 CDBDMN C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000519782340 391220450 /nfs/dbraw/zinc/22/04/50/391220450.db2.gz ZTKNSYJKTQVXBW-UWVGGRQHSA-N 0 1 293.323 1.822 20 5 CDBDMN O=[N+]([O-])c1cnc(NCCN2C[C@H]3CC[C@@H](C2)O3)c(F)c1 ZINC000413309575 391196602 /nfs/dbraw/zinc/19/66/02/391196602.db2.gz BQLBFRSMZNLYSM-PHIMTYICSA-N 0 1 296.302 1.404 20 5 CDBDMN Cc1cc([N+](=O)[O-])cnc1N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000266326215 391714053 /nfs/dbraw/zinc/71/40/53/391714053.db2.gz GEPXAZYZRAKUQV-NWDGAFQWSA-N 0 1 294.355 1.190 20 5 CDBDMN C[C@@H](Cc1cnc[nH]1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000521269076 392866123 /nfs/dbraw/zinc/86/61/23/392866123.db2.gz QJKKCKQOJMXVHC-JTQLQIEISA-N 0 1 288.307 1.813 20 5 CDBDMN COC[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000525270918 392926399 /nfs/dbraw/zinc/92/63/99/392926399.db2.gz LPKAPMVNBQNVJU-LLVKDONJSA-N 0 1 280.328 1.147 20 5 CDBDMN CCc1[nH]nc(C(=O)N2CC[C@H](CO)C[C@@H]2C)c1[N+](=O)[O-] ZINC000426153968 393038401 /nfs/dbraw/zinc/03/84/01/393038401.db2.gz PLDOGIVFQCUKLD-IUCAKERBSA-N 0 1 296.327 1.113 20 5 CDBDMN Cc1nc(N2CCc3cnccc32)ncc1[N+](=O)[O-] ZINC000297505950 393079601 /nfs/dbraw/zinc/07/96/01/393079601.db2.gz NIUQRNFCSZKREN-UHFFFAOYSA-N 0 1 257.253 1.782 20 5 CDBDMN COc1cc(N2CCN(C[C@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000275058969 135103247 /nfs/dbraw/zinc/10/32/47/135103247.db2.gz VPYZFQGKSHPPOS-NSHDSACASA-N 0 1 295.339 1.106 20 5 CDBDMN Cc1nnc(NC(=O)COc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000103253864 147169183 /nfs/dbraw/zinc/16/91/83/147169183.db2.gz NJPDKOWGOYASBF-UHFFFAOYSA-N 0 1 277.240 1.039 20 5 CDBDMN Cc1n[nH]c(NC(=O)COc2ccc([N+](=O)[O-])cc2)n1 ZINC000103253864 147169186 /nfs/dbraw/zinc/16/91/86/147169186.db2.gz NJPDKOWGOYASBF-UHFFFAOYSA-N 0 1 277.240 1.039 20 5 CDBDMN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2[nH]nnc2c1 ZINC000181165575 148179791 /nfs/dbraw/zinc/17/97/91/148179791.db2.gz WVJMLGVIUCGENF-UHFFFAOYSA-N 0 1 298.262 1.701 20 5 CDBDMN CCN(Cc1cc([N+](=O)[O-])ccc1OC)C[C@H](C)O ZINC000352186318 155005045 /nfs/dbraw/zinc/00/50/45/155005045.db2.gz KZQVRQSNIIDSOF-JTQLQIEISA-N 0 1 268.313 1.806 20 5 CDBDMN CSc1n[nH]c(NC(=O)Cc2ccccc2[N+](=O)[O-])n1 ZINC000354122786 156277982 /nfs/dbraw/zinc/27/79/82/156277982.db2.gz OLTOGSIUYSMNCE-UHFFFAOYSA-N 0 1 293.308 1.616 20 5 CDBDMN O=[N+]([O-])c1cccnc1SCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000371628223 160034310 /nfs/dbraw/zinc/03/43/10/160034310.db2.gz LNIGUYBELYINMD-PHIMTYICSA-N 0 1 295.364 1.945 20 5 CDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(O)(c2ccccc2)CC1 ZINC000375111144 160346377 /nfs/dbraw/zinc/34/63/77/160346377.db2.gz OJCQZIRQYGFONM-CHWSQXEVSA-N 0 1 290.319 1.162 20 5 CDBDMN CC(C)(C)[C@@H](CO)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284226004 196006851 /nfs/dbraw/zinc/00/68/51/196006851.db2.gz UULXXZYKIBCALQ-GFCCVEGCSA-N 0 1 297.311 2.000 20 5 CDBDMN COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000035297225 172110907 /nfs/dbraw/zinc/11/09/07/172110907.db2.gz RDFWZYMXHRHNFB-JTQLQIEISA-N 0 1 294.307 1.900 20 5 CDBDMN Cc1ccc(CN[C@@H](C)C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000037267718 173078828 /nfs/dbraw/zinc/07/88/28/173078828.db2.gz WNDCRTKXCVKENN-JTQLQIEISA-N 0 1 265.313 1.470 20 5 CDBDMN CO[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000281823650 277291919 /nfs/dbraw/zinc/29/19/19/277291919.db2.gz RILZBOBBGBRXAG-VXNVDRBHSA-N 0 1 282.300 1.266 20 5 CDBDMN O=C(Nc1ncc(C(F)(F)F)[nH]1)c1n[nH]cc1[N+](=O)[O-] ZINC000337616426 280064250 /nfs/dbraw/zinc/06/42/50/280064250.db2.gz BEUDVGLVUYAMMY-UHFFFAOYSA-N 0 1 290.161 1.312 20 5 CDBDMN CCN1C[C@@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000391563184 280681218 /nfs/dbraw/zinc/68/12/18/280681218.db2.gz BBRHFVBKKPLNGY-JQWIXIFHSA-N 0 1 277.324 1.866 20 5 CDBDMN C[C@H](C[S@](C)=O)N(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000185122186 323383347 /nfs/dbraw/zinc/38/33/47/323383347.db2.gz KSGJAMAUXNEQMV-WYRIXSBYSA-N 0 1 284.381 1.836 20 5 CDBDMN Cc1nc(N[C@H]2CCCc3cn[nH]c32)ncc1[N+](=O)[O-] ZINC000297544802 534498679 /nfs/dbraw/zinc/49/86/79/534498679.db2.gz QGXVMFYEQKLUFI-VIFPVBQESA-N 0 1 274.284 1.906 20 5 CDBDMN CCOc1ccc(C(=O)N2CCN[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000236902115 520897416 /nfs/dbraw/zinc/89/74/16/520897416.db2.gz HXCVUDGDDHIBAS-JTQLQIEISA-N 0 1 293.323 1.427 20 5 CDBDMN COCC[C@@H]1COCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339208929 521889504 /nfs/dbraw/zinc/88/95/04/521889504.db2.gz QWJRLLJHDKHLTD-GFCCVEGCSA-N 0 1 296.323 1.538 20 5 CDBDMN Cc1nn(C[N@@H+](C[C@@H](C)C(=O)[O-])C2CC2)c(C)c1[N+](=O)[O-] ZINC000738922792 574466612 /nfs/dbraw/zinc/46/66/12/574466612.db2.gz LYBXYUQRISCBIF-MRVPVSSYSA-N 0 1 296.327 1.551 20 5 CDBDMN Cc1nn(C[N@H+](C[C@@H](C)C(=O)[O-])C2CC2)c(C)c1[N+](=O)[O-] ZINC000738922792 574466613 /nfs/dbraw/zinc/46/66/13/574466613.db2.gz LYBXYUQRISCBIF-MRVPVSSYSA-N 0 1 296.327 1.551 20 5 CDBDMN CCO[C@@H]1C[C@@H]1COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000774328312 575199759 /nfs/dbraw/zinc/19/97/59/575199759.db2.gz HVVBEECOOQVVCQ-VXNVDRBHSA-N 0 1 254.242 1.505 20 5 CDBDMN CC[N@@H+](CCC(=O)[O-])Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000737096042 575818452 /nfs/dbraw/zinc/81/84/52/575818452.db2.gz IYVNERACLLLXNO-UHFFFAOYSA-N 0 1 292.295 1.699 20 5 CDBDMN Cc1nc([C@H](C)OC(=O)c2ccc([N+](=O)[O-])[nH]2)no1 ZINC000759961769 576448521 /nfs/dbraw/zinc/44/85/21/576448521.db2.gz RRQRXKXURSMELH-YFKPBYRVSA-N 0 1 266.213 1.532 20 5 CDBDMN COCCCCCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000744186648 576669518 /nfs/dbraw/zinc/66/95/18/576669518.db2.gz DZLAKBQPFXWZIS-UHFFFAOYSA-N 0 1 256.258 1.896 20 5 CDBDMN O=C(OCc1cccnc1C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000859720607 678250813 /nfs/dbraw/zinc/25/08/13/678250813.db2.gz ROAYEGHYULVPLN-HTQZYQBOSA-N 0 1 290.197 1.809 20 5 CDBDMN O=C([O-])[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000821511866 597369433 /nfs/dbraw/zinc/36/94/33/597369433.db2.gz UKPZPGIJZZAFOL-JQWIXIFHSA-N 0 1 280.280 1.035 20 5 CDBDMN C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000235370749 601499838 /nfs/dbraw/zinc/49/98/38/601499838.db2.gz FOOSLIYMCCOYHX-BXKDBHETSA-N 0 1 264.281 1.747 20 5 CDBDMN COC(=O)[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1CCCC1 ZINC000890962559 617350494 /nfs/dbraw/zinc/35/04/94/617350494.db2.gz FARPLAFUIYECRZ-QJPTWQEYSA-N 0 1 298.339 1.137 20 5 CDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000891327647 617427855 /nfs/dbraw/zinc/42/78/55/617427855.db2.gz MSZDDPVBIRBLKZ-WUHRBBMRSA-N 0 1 282.340 1.317 20 5 CDBDMN O=C([O-])[C@H]1CSCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000901892881 618321433 /nfs/dbraw/zinc/32/14/33/618321433.db2.gz YFWNMOBTEAYPPA-LLVKDONJSA-N 0 1 296.348 1.844 20 5 CDBDMN O=C(Nc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1)C1CC1 ZINC000839483861 618349803 /nfs/dbraw/zinc/34/98/03/618349803.db2.gz KWPGIHCEVVOLJJ-VXGBXAGGSA-N 0 1 289.291 1.639 20 5 CDBDMN CCc1csc([C@@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000910742123 618464714 /nfs/dbraw/zinc/46/47/14/618464714.db2.gz OYYBBWLZXQZJQX-FTLITQJKSA-N 0 1 269.326 1.548 20 5 CDBDMN CC[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H](C)C(=O)OC ZINC000836109191 618670837 /nfs/dbraw/zinc/67/08/37/618670837.db2.gz AJQANZRXIYMXSD-IONNQARKSA-N 0 1 284.268 1.667 20 5 CDBDMN C[C@@H](Nc1ncc([N+](=O)[O-])cc1F)[C@@H]1CN(C)CCN1C ZINC000895250051 619490872 /nfs/dbraw/zinc/49/08/72/619490872.db2.gz ZVCSEJRMWFXSEU-SKDRFNHKSA-N 0 1 297.334 1.175 20 5 CDBDMN COc1ccc(CN[C@H]2C(=O)NCC2(C)C)cc1[N+](=O)[O-] ZINC000895317842 619550132 /nfs/dbraw/zinc/55/01/32/619550132.db2.gz ZAYUUTDAPTXYRF-LBPRGKRZSA-N 0 1 293.323 1.218 20 5 CDBDMN COc1cccc(O[C@@H](C)CNCC[N+](=O)[O-])c1 ZINC000905137400 626651274 /nfs/dbraw/zinc/65/12/74/626651274.db2.gz MURCCWVVVRSIAD-JTQLQIEISA-N 0 1 254.286 1.329 20 5 CDBDMN O=[N+]([O-])CCNC[C@@H](O)c1cc2ccccc2s1 ZINC000905352432 626764460 /nfs/dbraw/zinc/76/44/60/626764460.db2.gz ZHHGDBNIOMZMAR-SNVBAGLBSA-N 0 1 266.322 1.801 20 5 CDBDMN O=C(N[C@H]1CCOC12CCCCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000888311245 633058712 /nfs/dbraw/zinc/05/87/12/633058712.db2.gz BGZGNRQZMSZGGX-MXWKQRLJSA-N 0 1 268.313 1.260 20 5 CDBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@H]1CC1(F)F ZINC000837982868 679079084 /nfs/dbraw/zinc/07/90/84/679079084.db2.gz WWINVIAVNPLDCI-MRVPVSSYSA-N 0 1 273.191 1.999 20 5 CDBDMN O=C(OCC[C@H]1CC1(Cl)Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000820746909 679459606 /nfs/dbraw/zinc/45/96/06/679459606.db2.gz BFVOTZRGDBKTCU-RRKCRQDMSA-N 0 1 268.096 1.779 20 5 CDBDMN COCCCOCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837615922 677715263 /nfs/dbraw/zinc/71/52/63/677715263.db2.gz VVMLKWZMRUBXFE-UHFFFAOYSA-N 0 1 299.279 1.397 20 5 CDBDMN CN(C)c1ccc(F)cc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000874575280 677757126 /nfs/dbraw/zinc/75/71/26/677757126.db2.gz YNRSJKNJBOMTHM-LDYMZIIASA-N 0 1 267.260 1.495 20 5 CDBDMN CC1CC(CNC(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)C1 ZINC000870958417 677879148 /nfs/dbraw/zinc/87/91/48/677879148.db2.gz BWPOUQQEQMNRMD-QKFMDRJYSA-N 0 1 291.351 1.931 20 5 CDBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC000922085351 677988294 /nfs/dbraw/zinc/98/82/94/677988294.db2.gz AUALEMICJXYPBZ-JHJVBQTASA-N 0 1 278.308 1.234 20 5 CDBDMN CC(C)[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccn1 ZINC000842298985 678091503 /nfs/dbraw/zinc/09/15/03/678091503.db2.gz FWVXPXIMMGDFRW-YUSALJHKSA-N 0 1 264.281 1.987 20 5 CDBDMN Cc1c(CN[C@@H](C)C(=O)NCCF)cccc1[N+](=O)[O-] ZINC000873121525 678128986 /nfs/dbraw/zinc/12/89/86/678128986.db2.gz JCMMYJQZXJIEAE-JTQLQIEISA-N 0 1 283.303 1.467 20 5 CDBDMN CSc1cc(O)ccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839735983 678140673 /nfs/dbraw/zinc/14/06/73/678140673.db2.gz CTTDNTPSHYXRDO-VXNVDRBHSA-N 0 1 268.294 1.718 20 5 CDBDMN Cc1ccc2nc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])[nH]c2c1 ZINC000839694327 678147385 /nfs/dbraw/zinc/14/73/85/678147385.db2.gz OCLNYVRNDOGKDO-LDYMZIIASA-N 0 1 274.280 1.153 20 5 CDBDMN COc1cccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1C ZINC000862776780 679679424 /nfs/dbraw/zinc/67/94/24/679679424.db2.gz PMESXKJQLYXNTC-PSASIEDQSA-N 0 1 250.254 1.607 20 5 CDBDMN COc1cccc(C2(NCC[N+](=O)[O-])CCC2)c1 ZINC000931064143 679679950 /nfs/dbraw/zinc/67/99/50/679679950.db2.gz NAPGJSTWOVVAOK-UHFFFAOYSA-N 0 1 250.298 1.941 20 5 CDBDMN O=[N+]([O-])c1ccc(CN2C[C@@H]3COC[C@@H]3C2)cc1F ZINC000718175907 677724116 /nfs/dbraw/zinc/72/41/16/677724116.db2.gz YHODJMJJKAUAHA-PHIMTYICSA-N 0 1 266.272 1.812 20 5 CDBDMN CC1(C)CCC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])O1 ZINC000890124839 677761984 /nfs/dbraw/zinc/76/19/84/677761984.db2.gz XMBGHSQGTVADKN-OPRDCNLKSA-N 0 1 256.302 1.116 20 5 CDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000839777730 677908063 /nfs/dbraw/zinc/90/80/63/677908063.db2.gz RPPQZWUKHWESCD-WYUUTHIRSA-N 0 1 280.324 1.212 20 5 CDBDMN COC(=O)c1cc(F)c(C)c(OC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000841165273 677923082 /nfs/dbraw/zinc/92/30/82/677923082.db2.gz AJPZOBFTULUCKZ-PSASIEDQSA-N 0 1 297.238 1.491 20 5 CDBDMN CCc1cccc(OCCOC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000840672311 677972221 /nfs/dbraw/zinc/97/22/21/677972221.db2.gz HYYGKQUSYMLWCH-CHWSQXEVSA-N 0 1 279.292 1.836 20 5 CDBDMN CN(CCOC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000840670469 677995869 /nfs/dbraw/zinc/99/58/69/677995869.db2.gz GKYGWUZGJZJWHZ-VXGBXAGGSA-N 0 1 264.281 1.331 20 5 CDBDMN O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCC[C@@H]2CO)cc1 ZINC000776579262 678102665 /nfs/dbraw/zinc/10/26/65/678102665.db2.gz LGVQOERTMXKKCC-ZIAGYGMSSA-N 0 1 280.324 1.475 20 5 CDBDMN O=C1NCCN1CCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000886323689 678235888 /nfs/dbraw/zinc/23/58/88/678235888.db2.gz FROXHOQTRDVWNY-UHFFFAOYSA-N 0 1 298.730 1.363 20 5 CDBDMN O=[N+]([O-])c1c(F)nccc1N[C@H]1CCN(C2CC2)C1 ZINC000881845178 678395963 /nfs/dbraw/zinc/39/59/63/678395963.db2.gz GYVBJSVYCJYCHC-QMMMGPOBSA-N 0 1 266.276 1.778 20 5 CDBDMN Cc1csc(CCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000839631871 678458961 /nfs/dbraw/zinc/45/89/61/678458961.db2.gz NNBYITLKBYEYGO-NXEZZACHSA-N 0 1 283.353 1.556 20 5 CDBDMN CSCCNC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867957760 678467522 /nfs/dbraw/zinc/46/75/22/678467522.db2.gz XZRVJRDXRCDXAF-GFCCVEGCSA-N 0 1 283.353 1.248 20 5 CDBDMN COCOCCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000848169201 678561382 /nfs/dbraw/zinc/56/13/82/678561382.db2.gz IQNUHRIAUZJFPJ-UHFFFAOYSA-N 0 1 284.268 1.041 20 5 CDBDMN CO[C@@H]1COC[C@@H]1NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000839200938 678588986 /nfs/dbraw/zinc/58/89/86/678588986.db2.gz KXHNVDVGRZYLIK-CMPLNLGQSA-N 0 1 270.260 1.237 20 5 CDBDMN O=C(/C=C\[C@@H]1CCOC1)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000838044615 678769816 /nfs/dbraw/zinc/76/98/16/678769816.db2.gz PQAPSCBFGHJUEH-GAGJOLBNSA-N 0 1 293.275 1.936 20 5 CDBDMN CC1(C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1c1cccnc1 ZINC000839775857 678838405 /nfs/dbraw/zinc/83/84/05/678838405.db2.gz HPKZSWQOELVHFO-UTUOFQBUSA-N 0 1 275.308 1.656 20 5 CDBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)NC1CCC(C)CC1 ZINC000840672138 678912949 /nfs/dbraw/zinc/91/29/49/678912949.db2.gz DNNPERDJRYTYDD-VWEWMNFQSA-N 0 1 298.339 1.278 20 5 CDBDMN COc1cc(OC)c(OC)cc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840394138 678920934 /nfs/dbraw/zinc/92/09/34/678920934.db2.gz BEWSVHKPGQDMHR-VXNVDRBHSA-N 0 1 296.279 1.316 20 5 CDBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H](C)C(=O)OC(C)(C)C ZINC000855191634 678955972 /nfs/dbraw/zinc/95/59/72/678955972.db2.gz FFZYTAGEEBKXNS-IVZWLZJFSA-N 0 1 286.328 1.230 20 5 CDBDMN CC(C)C[C@@H]1OCCC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839729937 679025984 /nfs/dbraw/zinc/02/59/84/679025984.db2.gz XDBPCLDRCXRPRU-KKOKHZNYSA-N 0 1 270.329 1.362 20 5 CDBDMN C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CCN1 ZINC000088059335 679103860 /nfs/dbraw/zinc/10/38/60/679103860.db2.gz WGLFUDKLYMALNY-SECBINFHSA-N 0 1 264.285 1.420 20 5 CDBDMN COc1c(C(=O)OCCc2c[nH]nn2)cccc1[N+](=O)[O-] ZINC000796723364 679119271 /nfs/dbraw/zinc/11/92/71/679119271.db2.gz AJYPUSGLIMIXTG-UHFFFAOYSA-N 0 1 292.251 1.121 20 5 CDBDMN COc1c(C(=O)OCCc2cnn[nH]2)cccc1[N+](=O)[O-] ZINC000796723364 679119272 /nfs/dbraw/zinc/11/92/72/679119272.db2.gz AJYPUSGLIMIXTG-UHFFFAOYSA-N 0 1 292.251 1.121 20 5 CDBDMN COC[C@](C)(CO)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000716812818 679139586 /nfs/dbraw/zinc/13/95/86/679139586.db2.gz RNMNZXJQFMOEEO-LBPRGKRZSA-N 0 1 288.731 1.735 20 5 CDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000839799519 679375254 /nfs/dbraw/zinc/37/52/54/679375254.db2.gz WMMXYOGSPPEEQE-YVECIDJPSA-N 0 1 282.340 1.051 20 5 CDBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC(OC(C)(C)C)C1 ZINC000817486442 679460993 /nfs/dbraw/zinc/46/09/93/679460993.db2.gz KKNIJASTUDFMOJ-JPPWEJMLSA-N 0 1 270.329 1.456 20 5 CDBDMN 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681533364 /nfs/dbraw/zinc/53/33/64/681533364.db2.gz VDJWYPZMTOORDL-QJPTWQEYSA-N 0 1 252.314 1.904 20 5 CDBDMN COc1ccc([C@@H](C)OC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000842294811 681898205 /nfs/dbraw/zinc/89/82/05/681898205.db2.gz MFNVAUGEUBXBJS-GGZOMVNGSA-N 0 1 265.265 1.965 20 5 CDBDMN C[C@@H](N[C@@H](C)C(=O)NC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000228959851 682128973 /nfs/dbraw/zinc/12/89/73/682128973.db2.gz FSWJWDDATIIWPS-ZJUUUORDSA-N 0 1 277.324 1.913 20 5 CDBDMN Cc1c(CNC[C@H]2CCCS2(=O)=O)cccc1[N+](=O)[O-] ZINC000134067139 682239225 /nfs/dbraw/zinc/23/92/25/682239225.db2.gz ZIHCWSAIXHMDPA-GFCCVEGCSA-N 0 1 298.364 1.570 20 5 CDBDMN C[C@@H]1Oc2ccccc2[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839774253 682313996 /nfs/dbraw/zinc/31/39/96/682313996.db2.gz OKTYFRIHVRRINA-UYAIAHHASA-N 0 1 262.265 1.290 20 5 CDBDMN Cn1ccnc1CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000105909062 682604883 /nfs/dbraw/zinc/60/48/83/682604883.db2.gz VFMVDVBFMLTTGG-LBPRGKRZSA-N 0 1 276.296 1.152 20 5 CDBDMN CCN1CC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000882491921 682784247 /nfs/dbraw/zinc/78/42/47/682784247.db2.gz LSRDXRAUJGTODI-SNVBAGLBSA-N 0 1 293.323 1.427 20 5 CDBDMN CN(C(=O)c1cc([N+](=O)[O-])ccc1F)[C@H]1CCC[N@@H+](C)C1 ZINC000053245463 682797589 /nfs/dbraw/zinc/79/75/89/682797589.db2.gz GXRIACAJHIGRTP-NSHDSACASA-N 0 1 295.314 1.900 20 5 CDBDMN CN(C(=O)c1cc([N+](=O)[O-])ccc1F)[C@H]1CCCN(C)C1 ZINC000053245463 682797590 /nfs/dbraw/zinc/79/75/90/682797590.db2.gz GXRIACAJHIGRTP-NSHDSACASA-N 0 1 295.314 1.900 20 5 CDBDMN O=C(OC[C@@H]1CCC2(CCOCC2)CO1)[C@@H]1CC1[N+](=O)[O-] ZINC000884550356 682811332 /nfs/dbraw/zinc/81/13/32/682811332.db2.gz APWLOBVECNIGLG-QJPTWQEYSA-N 0 1 299.323 1.171 20 5 CDBDMN C[C@H](O)[C@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000930140534 682828705 /nfs/dbraw/zinc/82/87/05/682828705.db2.gz CIMOXRDFLVYKCM-IINYFYTJSA-N 0 1 280.324 1.301 20 5 CDBDMN COC(=O)CCN(Cc1cccnc1[N+](=O)[O-])C(C)C ZINC000886009943 682832090 /nfs/dbraw/zinc/83/20/90/682832090.db2.gz BLLXKQNLHGTSAS-UHFFFAOYSA-N 0 1 281.312 1.763 20 5 CDBDMN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839455461 682840911 /nfs/dbraw/zinc/84/09/11/682840911.db2.gz PTHNYMHMDDVMCZ-CHWSQXEVSA-N 0 1 277.324 1.294 20 5 CDBDMN CC[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000844784870 682862202 /nfs/dbraw/zinc/86/22/02/682862202.db2.gz IENVRZUJFUBKLV-LNFKQOIKSA-N 0 1 256.302 1.068 20 5 CDBDMN O=C(Oc1cccc2c1OCCO2)[C@@H]1CC1[N+](=O)[O-] ZINC000840417612 683244521 /nfs/dbraw/zinc/24/45/21/683244521.db2.gz KCCKMJNLPJEDFH-HTQZYQBOSA-N 0 1 265.221 1.028 20 5 CDBDMN CCCCNC(=O)C1(NCC[N+](=O)[O-])CCCCC1 ZINC000930024288 683317506 /nfs/dbraw/zinc/31/75/06/683317506.db2.gz QQERFFCGYVKHQI-UHFFFAOYSA-N 0 1 271.361 1.472 20 5 CDBDMN COc1cccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1C ZINC000856353384 683378011 /nfs/dbraw/zinc/37/80/11/683378011.db2.gz HEGWEUQAFKKGIL-GHMZBOCLSA-N 0 1 264.281 1.285 20 5 CDBDMN CONC(=O)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000877787229 683666507 /nfs/dbraw/zinc/66/65/07/683666507.db2.gz ISZUTTTWIBQXEO-UHFFFAOYSA-N 0 1 293.323 1.484 20 5 CDBDMN CCN1CC[C@H]1CNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000882959734 683667840 /nfs/dbraw/zinc/66/78/40/683667840.db2.gz OLMRTWTUPHPXMA-VIFPVBQESA-N 0 1 294.311 1.283 20 5 CDBDMN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCc2nc[nH]c2C1 ZINC000929082271 683715876 /nfs/dbraw/zinc/71/58/76/683715876.db2.gz XTXQZLAMPWFQQF-UHFFFAOYSA-N 0 1 290.254 1.656 20 5 CDBDMN C[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000886100626 683839235 /nfs/dbraw/zinc/83/92/35/683839235.db2.gz SWWCAARCEKWXJZ-MNOVXSKESA-N 0 1 264.329 1.514 20 5 CDBDMN O=C(NCCSC(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000839538877 683875609 /nfs/dbraw/zinc/87/56/09/683875609.db2.gz OFOINQBZAQDNPA-RFZPGFLSSA-N 0 1 258.221 1.021 20 5 CDBDMN CN(CCCOCc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839754438 683985406 /nfs/dbraw/zinc/98/54/06/683985406.db2.gz OXTBBPCWHJHSAY-ZIAGYGMSSA-N 0 1 292.335 1.717 20 5 CDBDMN C[C@H](Cc1ccsc1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000851148491 684054440 /nfs/dbraw/zinc/05/44/40/684054440.db2.gz GVLKENMDBDRQSV-SZEHBUNVSA-N 0 1 255.295 1.888 20 5 CDBDMN CC(C)[C@H](N)c1noc(-c2cc([N+](=O)[O-])cn2C)n1 ZINC000843148350 684074401 /nfs/dbraw/zinc/07/44/01/684074401.db2.gz QHDAJYICSLXBEE-VIFPVBQESA-N 0 1 265.273 1.639 20 5 CDBDMN CCOC(=O)c1ccc(NCC2CN(C)C2)c([N+](=O)[O-])c1 ZINC001170256497 1162318459 /nfs/dbraw/zinc/31/84/59/1162318459.db2.gz OZLKWKBJNHJQFQ-UHFFFAOYSA-N 0 1 293.323 1.745 20 5 CDBDMN Cc1cc(Cl)c([N+](=O)[O-])c(N2CCN3CC[C@H]3C2)n1 ZINC001158424694 1162981954 /nfs/dbraw/zinc/98/19/54/1162981954.db2.gz XLGGUFDVBJLZAX-VIFPVBQESA-N 0 1 282.731 1.846 20 5 CDBDMN O=C([O-])[C@@H]1C[C@@H](O)C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC001608601726 1164567989 /nfs/dbraw/zinc/56/79/89/1164567989.db2.gz MFXCYJDXWOTFGQ-RKDXNWHRSA-N 0 1 298.270 1.001 20 5 CDBDMN O=C([O-])[C@@H]1C[C@@H](O)C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC001608601726 1164567995 /nfs/dbraw/zinc/56/79/95/1164567995.db2.gz MFXCYJDXWOTFGQ-RKDXNWHRSA-N 0 1 298.270 1.001 20 5 CDBDMN O=C([O-])[C@H]1[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C[C@@H]21 ZINC001608816762 1164648541 /nfs/dbraw/zinc/64/85/41/1164648541.db2.gz DSKVJRQBRVZYDK-GDGBQDQQSA-N 0 1 280.255 1.496 20 5 CDBDMN COC(=O)[C@H]1[C@@H]2CN(Cc3cccc([N+](=O)[O-])c3C)C[C@@H]21 ZINC000794975108 1164850277 /nfs/dbraw/zinc/85/02/77/1164850277.db2.gz VXVRVSZMAZYEKM-IMRBUKKESA-N 0 1 290.319 1.754 20 5 CDBDMN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(C)CC1 ZINC000048176507 1166440018 /nfs/dbraw/zinc/44/00/18/1166440018.db2.gz GGFFEBPDZFGTPR-UHFFFAOYSA-N 0 1 292.339 1.414 20 5 CDBDMN Cc1[nH]ncc1CNc1cc(F)c([N+](=O)[O-])cc1CO ZINC001306942967 1167456174 /nfs/dbraw/zinc/45/61/74/1167456174.db2.gz CXQPRFCLPMAYPN-UHFFFAOYSA-N 0 1 280.259 1.870 20 5 CDBDMN CN(Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1CCC1 ZINC001591137094 1173577545 /nfs/dbraw/zinc/57/75/45/1173577545.db2.gz REMHHTBJJSFRFN-UHFFFAOYSA-N 0 1 288.311 1.759 20 5 CDBDMN Cc1cc(NC[C@H]2CC[N@@H+]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001600281680 1174436233 /nfs/dbraw/zinc/43/62/33/1174436233.db2.gz YODGSUIRUXTRLN-SNVBAGLBSA-N 0 1 279.296 1.717 20 5 CDBDMN C[C@H]1C[C@H](C)N1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001603847628 1175653623 /nfs/dbraw/zinc/65/36/23/1175653623.db2.gz RMYMWCZIXVXRDF-IUCAKERBSA-N 0 1 288.311 1.758 20 5 CDBDMN CC(C)CN1CCN(c2cc([N+](=O)[O-])cc[n+]2[O-])CC1 ZINC001164652418 719328861 /nfs/dbraw/zinc/32/88/61/719328861.db2.gz LTPVSIMXVZJGNW-UHFFFAOYSA-N 0 1 280.328 1.006 20 5 CDBDMN Cc1ccc(-c2noc([C@@H]([NH3+])CC(=O)[O-])n2)cc1[N+](=O)[O-] ZINC001610481712 1165327222 /nfs/dbraw/zinc/32/72/22/1165327222.db2.gz SDKHLADGEUOBLB-QMMMGPOBSA-N 0 1 292.251 1.428 20 5 CDBDMN Cc1nn(C)c(N[C@H]2CN3CCC2CC3)c1[N+](=O)[O-] ZINC000036749289 1165753533 /nfs/dbraw/zinc/75/35/33/1165753533.db2.gz AOPHYKFVPREDAJ-JTQLQIEISA-N 0 1 265.317 1.143 20 5 CDBDMN CN1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](CO)C1 ZINC000877645045 1166073005 /nfs/dbraw/zinc/07/30/05/1166073005.db2.gz ZEJMUIIIHUWPBP-LLVKDONJSA-N 0 1 299.758 1.357 20 5 CDBDMN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN[C@H]2C[C@H]21 ZINC001580821682 1167724045 /nfs/dbraw/zinc/72/40/45/1167724045.db2.gz ADHVLEFXBJMSIW-WDEREUQCSA-N 0 1 281.699 1.435 20 5 CDBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC(C)(CO)C1 ZINC001173229827 912323626 /nfs/dbraw/zinc/32/36/26/912323626.db2.gz VMTKMMFDCHVHEN-LLVKDONJSA-N 0 1 264.325 1.840 20 5 CDBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC2(CC(O)C2)C1 ZINC001173229929 912326515 /nfs/dbraw/zinc/32/65/15/912326515.db2.gz WFGBIXRQXSHILP-LLVKDONJSA-N 0 1 276.336 1.983 20 5 CDBDMN COc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(=O)[nH]1 ZINC001211190669 895606445 /nfs/dbraw/zinc/60/64/45/895606445.db2.gz YYUGUGBNYXWPBW-UHFFFAOYSA-N 0 1 280.215 1.982 20 5 CDBDMN CCc1nnc(-c2cc(O)c(OC)cc2[N+](=O)[O-])o1 ZINC001255131523 936499212 /nfs/dbraw/zinc/49/92/12/936499212.db2.gz AOSCYZJCJHENJL-UHFFFAOYSA-N 0 1 265.225 1.921 20 5 CDBDMN CO[C@H](C(=O)OCc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000837697585 936853639 /nfs/dbraw/zinc/85/36/39/936853639.db2.gz XQGGRYIHZYGKIR-LBPRGKRZSA-N 0 1 281.264 1.769 20 5 CDBDMN Cc1cnc(CN)n1-c1nc(Cl)ccc1[N+](=O)[O-] ZINC001169027694 927631691 /nfs/dbraw/zinc/63/16/91/927631691.db2.gz CSUQEGAOMLYYNF-UHFFFAOYSA-N 0 1 267.676 1.596 20 5 CDBDMN Cc1[nH]nc(C(=O)Nc2cccc(F)c2O)c1[N+](=O)[O-] ZINC001151771809 937304317 /nfs/dbraw/zinc/30/43/17/937304317.db2.gz LPWUCYKFQPNOME-UHFFFAOYSA-N 0 1 280.215 1.723 20 5 CDBDMN CC[C@H](C)[C@H](NCc1ccc(C)c([N+](=O)[O-])c1)C(N)=O ZINC000887053865 931008898 /nfs/dbraw/zinc/00/88/98/931008898.db2.gz GHLXFMDZUSWIFX-ZANVPECISA-N 0 1 279.340 1.893 20 5 CDBDMN O=[N+]([O-])c1cc(Cl)cc(N2CCN3CC[C@H]3C2)n1 ZINC001158423769 938621638 /nfs/dbraw/zinc/62/16/38/938621638.db2.gz NFDOPOZAIDEERD-VIFPVBQESA-N 0 1 268.704 1.538 20 5 CDBDMN CCc1[nH]nc(C(=O)N(C)[C@H]2CC[C@@H]2OC)c1[N+](=O)[O-] ZINC001159385148 938725487 /nfs/dbraw/zinc/72/54/87/938725487.db2.gz HWAJCCOURMWGMO-IUCAKERBSA-N 0 1 282.300 1.130 20 5 CDBDMN Cc1nc(-n2c(CN)nc3cnccc32)ccc1[N+](=O)[O-] ZINC001162214520 938962390 /nfs/dbraw/zinc/96/23/90/938962390.db2.gz IXFHXRJKCQGCQL-UHFFFAOYSA-N 0 1 284.279 1.491 20 5 CDBDMN Cc1c(C)c(-n2c(CN)nc3cnccc32)ncc1[N+](=O)[O-] ZINC001162215894 938962651 /nfs/dbraw/zinc/96/26/51/938962651.db2.gz SNGJYFBUYRIJBB-UHFFFAOYSA-N 0 1 298.306 1.799 20 5 CDBDMN CC(C)(C)N1CC(Nc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001162221112 938964032 /nfs/dbraw/zinc/96/40/32/938964032.db2.gz IFIMTZTUWNKMFQ-UHFFFAOYSA-N 0 1 265.317 1.467 20 5 CDBDMN Cc1nnc(CN)n1-c1ncc([N+](=O)[O-])c2ccccc21 ZINC001163348854 939254106 /nfs/dbraw/zinc/25/41/06/939254106.db2.gz WXDKEZIUYHSLOW-UHFFFAOYSA-N 0 1 284.279 1.491 20 5 CDBDMN COc1nc(N[C@H]2CN3CCC2CC3)nc(C)c1[N+](=O)[O-] ZINC001163386693 939260497 /nfs/dbraw/zinc/26/04/97/939260497.db2.gz WLDGSZSFWOBINV-JTQLQIEISA-N 0 1 293.327 1.208 20 5 CDBDMN Cc1nc(N2CC[C@H](N)C(F)(F)C2)ccc1[N+](=O)[O-] ZINC001166960318 939661109 /nfs/dbraw/zinc/66/11/09/939661109.db2.gz OPQPMISJOATUEL-VIFPVBQESA-N 0 1 272.255 1.471 20 5 CDBDMN C[NH+](C)[C@H]1CC[C@H](Oc2nc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001228139266 942273803 /nfs/dbraw/zinc/27/38/03/942273803.db2.gz ABLATDLAMWRPOG-KYZUINATSA-N 0 1 282.300 1.342 20 5 CDBDMN CC(C)[N@H+]1CC[C@H](Oc2cc(O)cc([O-])c2[N+](=O)[O-])C1 ZINC001228972272 942402232 /nfs/dbraw/zinc/40/22/32/942402232.db2.gz VEIRKZKQFJVALW-JTQLQIEISA-N 0 1 282.296 1.868 20 5 CDBDMN CCO[C@H](C)COc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229378628 942460781 /nfs/dbraw/zinc/46/07/81/942460781.db2.gz HOPUPVWIOKCDKK-ZCFIWIBFSA-N 0 1 257.246 1.203 20 5 CDBDMN Cc1cc([O-])c(O[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC001229750144 942527106 /nfs/dbraw/zinc/52/71/06/942527106.db2.gz KPJWHSWUWRKIOF-SECBINFHSA-N 0 1 254.286 1.938 20 5 CDBDMN Cc1ccnc([N+](=O)[O-])c1O[C@H]1CCCN(C)C1 ZINC001233548940 943615245 /nfs/dbraw/zinc/61/52/45/943615245.db2.gz ANFVVFQMRCUYNQ-JTQLQIEISA-N 0 1 251.286 1.771 20 5 CDBDMN Cc1nccc([N+](=O)[O-])c1O[C@@H]1CCC[N@H+](C)C1 ZINC001234904054 943970376 /nfs/dbraw/zinc/97/03/76/943970376.db2.gz WHIOKULSIPIWMH-SNVBAGLBSA-N 0 1 251.286 1.771 20 5 CDBDMN Cc1nccc([N+](=O)[O-])c1O[C@@H]1CCCN(C)C1 ZINC001234904054 943970379 /nfs/dbraw/zinc/97/03/79/943970379.db2.gz WHIOKULSIPIWMH-SNVBAGLBSA-N 0 1 251.286 1.771 20 5 CDBDMN O=[N+]([O-])CCNCCc1nc(-c2ccncc2)cs1 ZINC001262564890 946714547 /nfs/dbraw/zinc/71/45/47/946714547.db2.gz WLCTUOXFYCDVEX-UHFFFAOYSA-N 0 1 278.337 1.614 20 5 CDBDMN Cn1cnc2c1CN([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254605257 947553556 /nfs/dbraw/zinc/55/35/56/947553556.db2.gz ASZQAABXTFFUBG-AWEZNQCLSA-N 0 1 298.346 1.854 20 5 CDBDMN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[C@@]13CCOC3)C2 ZINC001254610522 947557085 /nfs/dbraw/zinc/55/70/85/947557085.db2.gz KLMCZAXJRWGMGT-CABCVRRESA-N 0 1 274.320 1.927 20 5 CDBDMN Cc1cccc(C(=O)NC[C@H](O)c2cnc[nH]2)c1[N+](=O)[O-] ZINC001303581108 956103187 /nfs/dbraw/zinc/10/31/87/956103187.db2.gz PWEHIOFRUHMSIM-NSHDSACASA-N 0 1 290.279 1.090 20 5 CDBDMN CCc1ncc(CNC(=O)c2cc([N+](=O)[O-])cnc2C)[nH]1 ZINC001303973413 956136695 /nfs/dbraw/zinc/13/66/95/956136695.db2.gz SRRTUAIMMLXPIR-UHFFFAOYSA-N 0 1 289.295 1.514 20 5 CDBDMN C[C@](N)(C(=O)N[C@H]1CC12CCC2)c1cccc([N+](=O)[O-])c1 ZINC001331000388 956750955 /nfs/dbraw/zinc/75/09/55/956750955.db2.gz OTJWCTHSTZXEAC-GXTWGEPZSA-N 0 1 289.335 1.828 20 5 CDBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1c([N+](=O)[O-])cnn1C ZINC001333705123 958530231 /nfs/dbraw/zinc/53/02/31/958530231.db2.gz CIJIPYHSQVIMQI-UHFFFAOYSA-N 0 1 292.343 1.985 20 5 CDBDMN C[C@@H]1CCC[C@H](C(=O)[O-])[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC001594214240 959316607 /nfs/dbraw/zinc/31/66/07/959316607.db2.gz WXOMCVQHGDMFLV-NXEZZACHSA-N 0 1 282.300 1.119 20 5 CDBDMN Cc1cc(C(=O)N[C@H]2CN3CCC2CC3)cc([N+](=O)[O-])c1 ZINC001336628507 960427532 /nfs/dbraw/zinc/42/75/32/960427532.db2.gz MJNXDBAAQOYERE-AWEZNQCLSA-N 0 1 289.335 1.727 20 5 CDBDMN O=C(OCc1ccc2n[nH]cc2c1)[C@@H]1CC1[N+](=O)[O-] ZINC001345996586 964882760 /nfs/dbraw/zinc/88/27/60/964882760.db2.gz RMSNJUIRVTXXES-MWLCHTKSSA-N 0 1 261.237 1.271 20 5 CDBDMN CC[N@@H+](CC(=O)[O-])Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC001596224890 983615361 /nfs/dbraw/zinc/61/53/61/983615361.db2.gz IHLAKKMTFDWLLD-UHFFFAOYSA-N 0 1 296.279 1.368 20 5 CDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H]2C[C@H]21 ZINC000586893251 342473380 /nfs/dbraw/zinc/47/33/80/342473380.db2.gz YXEXMZBKRRQAID-QPUJVOFHSA-N 0 1 262.265 1.925 20 5 CDBDMN O=C(NCCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000165604759 342495182 /nfs/dbraw/zinc/49/51/82/342495182.db2.gz YSICRJMRSUBBED-UHFFFAOYSA-N 0 1 262.187 1.816 20 5 CDBDMN CCC[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])OCC ZINC000600174714 341982820 /nfs/dbraw/zinc/98/28/20/341982820.db2.gz MTUVDPGGTQDQEA-MRVPVSSYSA-N 0 1 270.289 1.253 20 5 CDBDMN CN(Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1COCCO1 ZINC000590702364 342582397 /nfs/dbraw/zinc/58/23/97/342582397.db2.gz PBUUUTDZKPWRPX-CYBMUJFWSA-N 0 1 266.297 1.442 20 5 CDBDMN Cc1ccc(CN(C)CCn2cc([N+](=O)[O-])cn2)nc1 ZINC000590754563 342587898 /nfs/dbraw/zinc/58/78/98/342587898.db2.gz LGCJRHPUFCJKCH-UHFFFAOYSA-N 0 1 275.312 1.627 20 5 CDBDMN CCCS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000070237929 361865658 /nfs/dbraw/zinc/86/56/58/361865658.db2.gz KLPJDHODJRYOCP-UHFFFAOYSA-N 0 1 274.298 1.755 20 5 CDBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](CO)[C@H](O)C1 ZINC000573520904 361891764 /nfs/dbraw/zinc/89/17/64/361891764.db2.gz BHNSLYAJPMXDGN-UHIISALHSA-N 0 1 280.324 1.331 20 5 CDBDMN C[C@H](CCO)[N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000593107744 342768960 /nfs/dbraw/zinc/76/89/60/342768960.db2.gz IBPFKKGGLWXOPU-SECBINFHSA-N 0 1 254.286 1.503 20 5 CDBDMN CCN1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595291610 343024816 /nfs/dbraw/zinc/02/48/16/343024816.db2.gz KHPYZWDNNRJOLM-UHFFFAOYSA-N 0 1 267.304 1.871 20 5 CDBDMN CNC(=O)[C@H](C)C[N@@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000081576149 342370664 /nfs/dbraw/zinc/37/06/64/342370664.db2.gz FNAHROGCHPOXCJ-MNOVXSKESA-N 0 1 279.340 1.970 20 5 CDBDMN COC(=O)[C@H]1C[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000597243457 343480862 /nfs/dbraw/zinc/48/08/62/343480862.db2.gz JZDJFNLCSOWFKP-KYZUINATSA-N 0 1 270.310 1.698 20 5 CDBDMN CCOCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000127035312 187277911 /nfs/dbraw/zinc/27/79/11/187277911.db2.gz JNTQNTIMYQEJAH-UHFFFAOYSA-N 0 1 291.267 1.355 20 5 CDBDMN Cc1ncc([N+](=O)[O-])n1CCN(C)Cc1ccc(C)cn1 ZINC000602834309 344617950 /nfs/dbraw/zinc/61/79/50/344617950.db2.gz AFPVZSDLYOOLMK-UHFFFAOYSA-N 0 1 289.339 1.935 20 5 CDBDMN CCN(Cc1cc([N+](=O)[O-])ccc1OC)[C@@H](C)CO ZINC000293505405 362571867 /nfs/dbraw/zinc/57/18/67/362571867.db2.gz UTFOERUUMIKWOR-JTQLQIEISA-N 0 1 268.313 1.806 20 5 CDBDMN CC(C)(CC(N)=O)NCc1c(Cl)cccc1[N+](=O)[O-] ZINC000120882187 534994877 /nfs/dbraw/zinc/99/48/77/534994877.db2.gz KGYPEPZHKWFAJQ-UHFFFAOYSA-N 0 1 285.731 1.992 20 5 CDBDMN CN1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C(C)(C)C1=O ZINC000093642500 345628942 /nfs/dbraw/zinc/62/89/42/345628942.db2.gz PAIQWAZIUFJHQG-UHFFFAOYSA-N 0 1 293.323 1.353 20 5 CDBDMN Cc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2C)n[nH]1 ZINC000609594851 345821741 /nfs/dbraw/zinc/82/17/41/345821741.db2.gz HMCSCVJMZDNEQH-UHFFFAOYSA-N 0 1 274.280 1.865 20 5 CDBDMN CC(C)c1[nH]nc(C(=O)N2CC(C(F)F)C2)c1[N+](=O)[O-] ZINC000611212705 346692043 /nfs/dbraw/zinc/69/20/43/346692043.db2.gz GCXCKJXKXYSDFU-UHFFFAOYSA-N 0 1 288.254 1.778 20 5 CDBDMN C[C@H]1[C@H](C)N(c2ncccc2[N+](=O)[O-])CCN1C ZINC000611299019 346740861 /nfs/dbraw/zinc/74/08/61/346740861.db2.gz IJIJFJWTXGARBX-UWVGGRQHSA-N 0 1 250.302 1.519 20 5 CDBDMN CNC(=O)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000054171918 347817072 /nfs/dbraw/zinc/81/70/72/347817072.db2.gz HUGVTTWBTPMOCV-UHFFFAOYSA-N 0 1 277.324 1.553 20 5 CDBDMN C[C@@H]1CN(c2cccnc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000614832278 348244217 /nfs/dbraw/zinc/24/42/17/348244217.db2.gz IZVLCQVMTVCWIZ-LLVKDONJSA-N 0 1 294.355 1.271 20 5 CDBDMN CCCc1[nH]nc(C(=O)N(CC)[C@H](C)CO)c1[N+](=O)[O-] ZINC000293668470 362909157 /nfs/dbraw/zinc/90/91/57/362909157.db2.gz NHXUVGJLHMLISJ-MRVPVSSYSA-N 0 1 284.316 1.113 20 5 CDBDMN C[C@@H](c1ccncc1)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000091990557 180300027 /nfs/dbraw/zinc/30/00/27/180300027.db2.gz NGODLPRNWCFWGN-NSHDSACASA-N 0 1 275.312 1.879 20 5 CDBDMN CCCc1[nH]nc(C(=O)N2CCCSCC2)c1[N+](=O)[O-] ZINC000109619520 186267931 /nfs/dbraw/zinc/26/79/31/186267931.db2.gz GXPIVFLESYNXNF-UHFFFAOYSA-N 0 1 298.368 1.850 20 5 CDBDMN C[C@@H](N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)(C)O ZINC000295163286 199380763 /nfs/dbraw/zinc/38/07/63/199380763.db2.gz NNCVTNLMUDWADU-SECBINFHSA-N 0 1 295.339 1.285 20 5 CDBDMN O=C(N[C@H]1CCO[C@@H](C2CC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000156961926 188289862 /nfs/dbraw/zinc/28/98/62/188289862.db2.gz UNLMFVCKXBEHOL-WCBMZHEXSA-N 0 1 280.284 1.005 20 5 CDBDMN O=C(N[C@H]1CCCC[C@H]1O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272663874 191853515 /nfs/dbraw/zinc/85/35/15/191853515.db2.gz IHBJUJRQGSNONF-NWDGAFQWSA-N 0 1 280.280 1.334 20 5 CDBDMN C[C@@H](C1CC1)n1cc(Nc2ncc([N+](=O)[O-])c(N)n2)cn1 ZINC000302417367 356258692 /nfs/dbraw/zinc/25/86/92/356258692.db2.gz MKYXUIXEZJLNRN-ZETCQYMHSA-N 0 1 289.299 1.878 20 5 CDBDMN CCc1[nH]nc(C(=O)N(C)CCC(C)C)c1[N+](=O)[O-] ZINC000171774828 356242256 /nfs/dbraw/zinc/24/22/56/356242256.db2.gz IXPZPMOTTLOWLI-UHFFFAOYSA-N 0 1 268.317 1.998 20 5 CDBDMN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1nnc(C)[nH]1 ZINC000164868482 356305420 /nfs/dbraw/zinc/30/54/20/356305420.db2.gz VERTZSWWFPQGCD-UHFFFAOYSA-N 0 1 277.240 1.282 20 5 CDBDMN O=C(NCc1nnc[nH]1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000358568730 356308133 /nfs/dbraw/zinc/30/81/33/356308133.db2.gz ZLJGGMAYUASKTP-UHFFFAOYSA-N 0 1 287.235 1.389 20 5 CDBDMN CC[N@H+]1CCN(c2ncccc2[N+](=O)[O-])[C@H](C)C1 ZINC000286430864 356386141 /nfs/dbraw/zinc/38/61/41/356386141.db2.gz RUWYGLHNJLKUJT-SNVBAGLBSA-N 0 1 250.302 1.520 20 5 CDBDMN CCN1CCN(c2ncccc2[N+](=O)[O-])[C@H](C)C1 ZINC000286430864 356386143 /nfs/dbraw/zinc/38/61/43/356386143.db2.gz RUWYGLHNJLKUJT-SNVBAGLBSA-N 0 1 250.302 1.520 20 5 CDBDMN CN(C)C1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000134907203 356459966 /nfs/dbraw/zinc/45/99/66/356459966.db2.gz KWCGXKYYRCZDHM-UHFFFAOYSA-N 0 1 295.364 1.459 20 5 CDBDMN Cc1[nH]nc(C(=O)N2CCOC3(CCCC3)C2)c1[N+](=O)[O-] ZINC000269035360 356775804 /nfs/dbraw/zinc/77/58/04/356775804.db2.gz UANJEPSERPPXOR-UHFFFAOYSA-N 0 1 294.311 1.412 20 5 CDBDMN C[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CCO1 ZINC000269164967 356816649 /nfs/dbraw/zinc/81/66/49/356816649.db2.gz ZYFBXNSOWIOCCF-MRVPVSSYSA-N 0 1 266.253 1.161 20 5 CDBDMN COc1cc(CNc2ccon2)cc([N+](=O)[O-])c1O ZINC000083480464 357238517 /nfs/dbraw/zinc/23/85/17/357238517.db2.gz HOIXQVMOSAMHAA-UHFFFAOYSA-N 0 1 265.225 1.909 20 5 CDBDMN Cc1[nH]nc(C(=O)N2CCC[C@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000290673726 357256949 /nfs/dbraw/zinc/25/69/49/357256949.db2.gz PPOGSDSPSQHKDX-JTQLQIEISA-N 0 1 278.312 1.889 20 5 CDBDMN CSC[C@@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000120199302 357260551 /nfs/dbraw/zinc/26/05/51/357260551.db2.gz IBLUPNLYHYNDHM-SSDOTTSWSA-N 0 1 294.336 1.952 20 5 CDBDMN NC1(c2noc(-c3cc([N+](=O)[O-])c[nH]3)n2)CCCC1 ZINC000261899111 357339200 /nfs/dbraw/zinc/33/92/00/357339200.db2.gz YKALXVBKJQHLQO-UHFFFAOYSA-N 0 1 263.257 1.701 20 5 CDBDMN O=[N+]([O-])c1cccc2c(NCCc3nc[nH]n3)ccnc21 ZINC000214765105 357400237 /nfs/dbraw/zinc/40/02/37/357400237.db2.gz BAEIANWZESDKEB-UHFFFAOYSA-N 0 1 284.279 1.916 20 5 CDBDMN C[C@@H](NC/C=C/c1ccccc1[N+](=O)[O-])C(=O)NCCF ZINC000282779248 357474075 /nfs/dbraw/zinc/47/40/75/357474075.db2.gz VPBKSQLRYDVROW-DUMNWFOQSA-N 0 1 295.314 1.672 20 5 CDBDMN CC(C)NC(=O)CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284113284 357643066 /nfs/dbraw/zinc/64/30/66/357643066.db2.gz NLJRPKQTXKTQFZ-SECBINFHSA-N 0 1 280.328 1.352 20 5 CDBDMN CCCc1[nH]nc(C(=O)N(C)C[C@@H](C)OC)c1[N+](=O)[O-] ZINC000286655215 357656492 /nfs/dbraw/zinc/65/64/92/357656492.db2.gz WSVNCTKLBKNOAA-MRVPVSSYSA-N 0 1 284.316 1.377 20 5 CDBDMN COc1ccc(NC(=O)Cc2cc(C)[nH]n2)cc1[N+](=O)[O-] ZINC000360749153 357678887 /nfs/dbraw/zinc/67/88/87/357678887.db2.gz WOILJPKOTIOWNH-UHFFFAOYSA-N 0 1 290.279 1.816 20 5 CDBDMN O=[N+]([O-])c1cc(F)ccc1NCCN1CCCOCC1 ZINC000188490072 357903572 /nfs/dbraw/zinc/90/35/72/357903572.db2.gz PFNHVQMGZRQNEC-UHFFFAOYSA-N 0 1 283.303 1.868 20 5 CDBDMN CO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)[O-])C1 ZINC000566511259 358028362 /nfs/dbraw/zinc/02/83/62/358028362.db2.gz NSELMGFJTHGBHG-QWHCGFSZSA-N 0 1 294.307 1.659 20 5 CDBDMN C[C@]1(C(N)=O)CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000361555278 358280284 /nfs/dbraw/zinc/28/02/84/358280284.db2.gz AEQWSVNKWAJBSR-ZDUSSCGKSA-N 0 1 281.287 1.431 20 5 CDBDMN CNC(=O)[C@@H]1CCCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330436547 283388722 /nfs/dbraw/zinc/38/87/22/283388722.db2.gz RFOQPGHGDZTRBH-ZDUSSCGKSA-N 0 1 293.323 1.401 20 5 CDBDMN CCOc1cc(CN(C)C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000291126648 358881303 /nfs/dbraw/zinc/88/13/03/358881303.db2.gz BKOSGCVSXYOMSA-SNVBAGLBSA-N 0 1 268.313 1.806 20 5 CDBDMN Cc1cc(N2C[C@@H](C)N(CCO)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000450800587 359008181 /nfs/dbraw/zinc/00/81/81/359008181.db2.gz ZFYCKPJJQVQYOX-TXEJJXNPSA-N 0 1 294.355 1.190 20 5 CDBDMN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccncc1F ZINC000338357430 359118796 /nfs/dbraw/zinc/11/87/96/359118796.db2.gz QAHGYCGZSHLGTA-VIFPVBQESA-N 0 1 279.275 1.676 20 5 CDBDMN COC(=O)C[C@H]1CCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339042166 359275836 /nfs/dbraw/zinc/27/58/36/359275836.db2.gz FWKIHPSZPCUSPZ-LLVKDONJSA-N 0 1 294.307 1.828 20 5 CDBDMN CN(CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCNC1=O ZINC000340225150 359612174 /nfs/dbraw/zinc/61/21/74/359612174.db2.gz GPKJKKYAXJMTSR-CYBMUJFWSA-N 0 1 293.323 1.184 20 5 CDBDMN CC[C@H](C)N1CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000297076370 200079022 /nfs/dbraw/zinc/07/90/22/200079022.db2.gz VTGVZXJBWRJQOB-VIFPVBQESA-N 0 1 295.343 1.183 20 5 CDBDMN O=[N+]([O-])c1ccsc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000302022980 201303960 /nfs/dbraw/zinc/30/39/60/201303960.db2.gz OUCYEUXUQDRADG-NSHDSACASA-N 0 1 297.380 1.815 20 5 CDBDMN CC[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H](C)O ZINC000456216418 364031869 /nfs/dbraw/zinc/03/18/69/364031869.db2.gz DFPPNBGGSXKILQ-CPCISQLKSA-N 0 1 268.269 1.190 20 5 CDBDMN COc1ccc(C(=O)N[C@H](C)c2nnc[nH]2)cc1[N+](=O)[O-] ZINC000174559361 364494391 /nfs/dbraw/zinc/49/43/91/364494391.db2.gz WDMWTAYADPGZEU-SSDOTTSWSA-N 0 1 291.267 1.213 20 5 CDBDMN COCCN1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000340974907 365062835 /nfs/dbraw/zinc/06/28/35/365062835.db2.gz JDMXOROOXZGHIP-GFCCVEGCSA-N 0 1 293.323 1.045 20 5 CDBDMN C[C@H]1CC(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)=NO1 ZINC000270855261 366939450 /nfs/dbraw/zinc/93/94/50/366939450.db2.gz RNAICVZHOQWXFD-LURJTMIESA-N 0 1 289.251 1.323 20 5 CDBDMN CC[C@@H]1CO[C@H](C)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272642654 367785532 /nfs/dbraw/zinc/78/55/32/367785532.db2.gz DSTRYFQJVBZDEZ-MWLCHTKSSA-N 0 1 294.307 1.940 20 5 CDBDMN CC/C=C\CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000385062889 367929076 /nfs/dbraw/zinc/92/90/76/367929076.db2.gz UZOXDKWIORAYEI-ARJAWSKDSA-N 0 1 288.300 1.978 20 5 CDBDMN CCc1nc(CNC(=O)c2cccc([N+](=O)[O-])c2C)n[nH]1 ZINC000295252473 369748757 /nfs/dbraw/zinc/74/87/57/369748757.db2.gz FERAYNNPFCCFSO-UHFFFAOYSA-N 0 1 289.295 1.514 20 5 CDBDMN CCc1nc(CNC(=O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000295477440 370377265 /nfs/dbraw/zinc/37/72/65/370377265.db2.gz YUFDKLPWMBNYES-UHFFFAOYSA-N 0 1 275.268 1.205 20 5 CDBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@@H]([C@@H](C)O)C2)c1[N+](=O)[O-] ZINC000272868218 372209798 /nfs/dbraw/zinc/20/97/98/372209798.db2.gz WGFUHRRZIUQCDW-RKDXNWHRSA-N 0 1 296.327 1.284 20 5 CDBDMN COCc1ccc(CNCCn2cc([N+](=O)[O-])cn2)o1 ZINC000151261291 372778739 /nfs/dbraw/zinc/77/87/39/372778739.db2.gz SYQMTKLOIAYDBJ-UHFFFAOYSA-N 0 1 280.284 1.321 20 5 CDBDMN C[C@@H]1CN(CCCNc2ccc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000253602344 373938053 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CC1(CNCc2nc3cc([N+](=O)[O-])ccc3o2)COC1 ZINC000602543944 344461518 /nfs/dbraw/zinc/46/15/18/344461518.db2.gz CTAJLQLQQVGIIT-UHFFFAOYSA-N 0 1 277.280 1.862 20 5 CDBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCS[C@H](C)C1 ZINC000602771582 344576391 /nfs/dbraw/zinc/57/63/91/344576391.db2.gz FLQONYFDEXMJMR-SECBINFHSA-N 0 1 270.358 1.537 20 5 CDBDMN C[C@@H](C(=O)N1CC(N(C)C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000542649172 362571044 /nfs/dbraw/zinc/57/10/44/362571044.db2.gz ORLPWTZNEUTPCS-SECBINFHSA-N 0 1 295.314 1.610 20 5 CDBDMN CN1CCCC[C@@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000609548863 345650718 /nfs/dbraw/zinc/65/07/18/345650718.db2.gz DIQLGXPUTWZIEK-CYBMUJFWSA-N 0 1 277.324 1.695 20 5 CDBDMN COC[C@@H]1CCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000610923867 346488405 /nfs/dbraw/zinc/48/84/05/346488405.db2.gz GFXFDBFXTMPUNG-VIFPVBQESA-N 0 1 296.327 1.692 20 5 CDBDMN C[C@@H]1[C@H](C)N(c2nc3sccn3c2[N+](=O)[O-])CCN1C ZINC000611299256 346741683 /nfs/dbraw/zinc/74/16/83/346741683.db2.gz ZFSAFCAQQWIGLO-BDAKNGLRSA-N 0 1 295.368 1.833 20 5 CDBDMN CNC(=O)Cn1cc(Nc2sccc2[N+](=O)[O-])cn1 ZINC000611411869 346779299 /nfs/dbraw/zinc/77/92/99/346779299.db2.gz XSSLOSXWWADZKD-UHFFFAOYSA-N 0 1 281.297 1.342 20 5 CDBDMN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc2nc[nH]c2c1 ZINC000344461842 362789682 /nfs/dbraw/zinc/78/96/82/362789682.db2.gz KUXBEAUBNCCMDB-UHFFFAOYSA-N 0 1 286.251 1.306 20 5 CDBDMN O=C(N[C@@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000067703561 347555379 /nfs/dbraw/zinc/55/53/79/347555379.db2.gz RATSPBZLKWWDBM-LLVKDONJSA-N 0 1 275.308 1.561 20 5 CDBDMN C[C@@H](c1ccccn1)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000091701585 180230410 /nfs/dbraw/zinc/23/04/10/180230410.db2.gz DHADJEHLVDHEDY-NSHDSACASA-N 0 1 275.312 1.879 20 5 CDBDMN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CCN1 ZINC000155071207 188180384 /nfs/dbraw/zinc/18/03/84/188180384.db2.gz APCYSZBVDXSNKK-JTQLQIEISA-N 0 1 292.339 1.095 20 5 CDBDMN C[C@@H]1CC[C@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)O1 ZINC000457352070 366153270 /nfs/dbraw/zinc/15/32/70/366153270.db2.gz CNBWOKBWZFDUQE-PRHODGIISA-N 0 1 280.280 1.598 20 5 CDBDMN CS[C@H](C)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272662689 191851471 /nfs/dbraw/zinc/85/14/71/191851471.db2.gz IALBPTXVVSABQG-SSDOTTSWSA-N 0 1 270.310 1.782 20 5 CDBDMN CN(CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(C)C1=O ZINC000558740195 356043121 /nfs/dbraw/zinc/04/31/21/356043121.db2.gz BAGSVXHFNNQSHZ-CQSZACIVSA-N 0 1 291.351 1.690 20 5 CDBDMN COc1ccc(CN[C@@](C)(C(N)=O)C(C)C)cc1[N+](=O)[O-] ZINC000336846842 356375005 /nfs/dbraw/zinc/37/50/05/356375005.db2.gz ROXOAHIVEUOTSC-CQSZACIVSA-N 0 1 295.339 1.593 20 5 CDBDMN Cc1c(CN2CCC(CC(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000048024637 357171211 /nfs/dbraw/zinc/17/12/11/357171211.db2.gz KBZCYCHWFUOUON-UHFFFAOYSA-N 0 1 291.351 1.991 20 5 CDBDMN Cc1cc([N+](=O)[O-])cnc1N1CCN(CC2CC2)CC1 ZINC000264470899 357330401 /nfs/dbraw/zinc/33/04/01/357330401.db2.gz NKJLIGULSKLUFG-UHFFFAOYSA-N 0 1 276.340 1.830 20 5 CDBDMN Cc1c(CNC[C@H](C)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000566123828 357422666 /nfs/dbraw/zinc/42/26/66/357422666.db2.gz PNFFBOMMVUHAGQ-VIFPVBQESA-N 0 1 286.353 1.426 20 5 CDBDMN CCc1[nH]nc(C(=O)N2CCC[C@H](CO)CC2)c1[N+](=O)[O-] ZINC000294370485 199014752 /nfs/dbraw/zinc/01/47/52/199014752.db2.gz BWJCEQPBWFWCJQ-VIFPVBQESA-N 0 1 296.327 1.115 20 5 CDBDMN CCc1[nH]nc(C(=O)N2CCCCO2)c1[N+](=O)[O-] ZINC000189550921 358025570 /nfs/dbraw/zinc/02/55/70/358025570.db2.gz TXOOHFAKUWHZFE-UHFFFAOYSA-N 0 1 254.246 1.048 20 5 CDBDMN C[C@@H]1CCNC(=O)[C@H]1NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000193611797 358308752 /nfs/dbraw/zinc/30/87/52/358308752.db2.gz UQSPCHOZSBEYAS-PELKAZGASA-N 0 1 297.742 1.862 20 5 CDBDMN Cc1c(CN[C@@H]2C(=O)NCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000193632132 358310333 /nfs/dbraw/zinc/31/03/33/358310333.db2.gz AYHCSWMFXMSSFU-RNCFNFMXSA-N 0 1 277.324 1.517 20 5 CDBDMN Cc1ccc(CN[C@H]2C(=O)NCC[C@H]2C)cc1[N+](=O)[O-] ZINC000193680888 358315167 /nfs/dbraw/zinc/31/51/67/358315167.db2.gz URADRWWIXUUVEZ-ZWNOBZJWSA-N 0 1 277.324 1.517 20 5 CDBDMN Cc1[nH]nc(C(=O)N2[C@H](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000408260570 358603023 /nfs/dbraw/zinc/60/30/23/358603023.db2.gz WLGOMJDWPWKJOT-RNFRBKRXSA-N 0 1 252.274 1.639 20 5 CDBDMN CS[C@H](CO)[C@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000219037334 359020735 /nfs/dbraw/zinc/02/07/35/359020735.db2.gz WHYOKEJWBPGPBJ-IONNQARKSA-N 0 1 276.383 1.858 20 5 CDBDMN COC1CCC(N(C)Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000355335984 359378749 /nfs/dbraw/zinc/37/87/49/359378749.db2.gz CREUYWUGSMZPJZ-UHFFFAOYSA-N 0 1 282.344 1.718 20 5 CDBDMN C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000408410173 359748390 /nfs/dbraw/zinc/74/83/90/359748390.db2.gz KWIULIWWCXILLU-VHSXEESVSA-N 0 1 293.323 1.465 20 5 CDBDMN C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000408410173 359748395 /nfs/dbraw/zinc/74/83/95/359748395.db2.gz KWIULIWWCXILLU-VHSXEESVSA-N 0 1 293.323 1.465 20 5 CDBDMN C[C@H]1CNCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000054369558 360642184 /nfs/dbraw/zinc/64/21/84/360642184.db2.gz IWQFWVUGDGUBST-QMMMGPOBSA-N 0 1 267.260 1.168 20 5 CDBDMN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000178772492 189144743 /nfs/dbraw/zinc/14/47/43/189144743.db2.gz JNFXBVMXASGKBA-SNVBAGLBSA-N 0 1 293.323 1.162 20 5 CDBDMN CCOCCNC(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180430685 189254856 /nfs/dbraw/zinc/25/48/56/189254856.db2.gz YQDILNQUVVMLCE-NSHDSACASA-N 0 1 295.339 1.398 20 5 CDBDMN CCc1nnc(Cn2nc(C)c([N+](=O)[O-])c2C)[nH]1 ZINC000181702410 189304719 /nfs/dbraw/zinc/30/47/19/189304719.db2.gz CQFLTMHFWMFDKO-UHFFFAOYSA-N 0 1 250.262 1.137 20 5 CDBDMN O=[N+]([O-])c1cnc(NCCN2CCc3ccccc3C2)nc1 ZINC000273180017 239048587 /nfs/dbraw/zinc/04/85/87/239048587.db2.gz OCWSAFPFBDXPNQ-UHFFFAOYSA-N 0 1 299.334 1.855 20 5 CDBDMN CC(=O)N1CC(N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000575329492 364007326 /nfs/dbraw/zinc/00/73/26/364007326.db2.gz IQVFAHDPQWWRGC-CYBMUJFWSA-N 0 1 275.308 1.402 20 5 CDBDMN COc1ccc(CN2CCC[C@@]2(C)CO)cc1[N+](=O)[O-] ZINC000545398178 364071633 /nfs/dbraw/zinc/07/16/33/364071633.db2.gz BDABOTMIAVZJEQ-AWEZNQCLSA-N 0 1 280.324 1.950 20 5 CDBDMN C[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CCN1 ZINC000088058905 364049735 /nfs/dbraw/zinc/04/97/35/364049735.db2.gz CHGGTQGCELZYFU-ZETCQYMHSA-N 0 1 255.299 1.090 20 5 CDBDMN Cc1ccc(CN[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000034994441 364501544 /nfs/dbraw/zinc/50/15/44/364501544.db2.gz AWJQUYLPCHQJEA-LLVKDONJSA-N 0 1 284.337 1.180 20 5 CDBDMN CC1(C)[C@@H](O)C[C@@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000275255432 192977639 /nfs/dbraw/zinc/97/76/39/192977639.db2.gz NJNGFZYXQJLDBX-QWRGUYRKSA-N 0 1 280.280 1.190 20 5 CDBDMN CC(C)[C@H]([NH3+])CCN(C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000573118247 365187713 /nfs/dbraw/zinc/18/77/13/365187713.db2.gz SHXHDAUIMQHTFN-LLVKDONJSA-N 0 1 296.327 1.141 20 5 CDBDMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](COC)OC ZINC000272695613 365354484 /nfs/dbraw/zinc/35/44/84/365354484.db2.gz QQKUJQNESCXOBU-CYBMUJFWSA-N 0 1 298.339 1.745 20 5 CDBDMN O=C(NCC1CCSCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000270738993 366928108 /nfs/dbraw/zinc/92/81/08/366928108.db2.gz PTRYGHZPQAXLIP-UHFFFAOYSA-N 0 1 270.314 1.191 20 5 CDBDMN CCN(Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C[C@@H](C)O ZINC000348710275 367697546 /nfs/dbraw/zinc/69/75/46/367697546.db2.gz OIONMODJAPMKTF-SNVBAGLBSA-N 0 1 298.339 1.815 20 5 CDBDMN CCC[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000123602429 367720235 /nfs/dbraw/zinc/72/02/35/367720235.db2.gz OVZVMTACESLWDA-UHFFFAOYSA-N 0 1 295.295 1.604 20 5 CDBDMN CCCN(C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000123602429 367720244 /nfs/dbraw/zinc/72/02/44/367720244.db2.gz OVZVMTACESLWDA-UHFFFAOYSA-N 0 1 295.295 1.604 20 5 CDBDMN COC(=O)[C@H](C)CN(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269164958 367770088 /nfs/dbraw/zinc/77/00/88/367770088.db2.gz ZXECEAQHWIFIHE-MRVPVSSYSA-N 0 1 296.279 1.182 20 5 CDBDMN CC[C@]1(CO)CCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000275896409 193157444 /nfs/dbraw/zinc/15/74/44/193157444.db2.gz OTGZQTYGJPLNBL-GFCCVEGCSA-N 0 1 282.300 1.003 20 5 CDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCCCO1 ZINC000275932194 193166558 /nfs/dbraw/zinc/16/65/58/193166558.db2.gz AJGGGUJDKCRDJU-UHFFFAOYSA-N 0 1 252.226 1.468 20 5 CDBDMN CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000272664771 367788519 /nfs/dbraw/zinc/78/85/19/367788519.db2.gz INHICPUYBNBPOY-SECBINFHSA-N 0 1 282.321 1.878 20 5 CDBDMN O=C(N[C@@H]1CCCC[C@@H]1O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272663873 367788738 /nfs/dbraw/zinc/78/87/38/367788738.db2.gz IHBJUJRQGSNONF-NEPJUHHUSA-N 0 1 280.280 1.334 20 5 CDBDMN C[C@H]1C[C@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269162926 367807366 /nfs/dbraw/zinc/80/73/66/367807366.db2.gz YUKNQEUQRXDEMK-CBAPKCEASA-N 0 1 250.254 1.686 20 5 CDBDMN Cc1nsc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])n1 ZINC000269479767 370245348 /nfs/dbraw/zinc/24/53/48/370245348.db2.gz JZYWBZOPRPXRMU-UHFFFAOYSA-N 0 1 296.312 1.854 20 5 CDBDMN CCc1noc(NCc2cc(OC)c(O)c([N+](=O)[O-])c2)n1 ZINC000292845881 370413678 /nfs/dbraw/zinc/41/36/78/370413678.db2.gz VROJRTXNZGVNFZ-UHFFFAOYSA-N 0 1 294.267 1.867 20 5 CDBDMN CCn1nc(C)c(CNCCc2ccccc2[N+](=O)[O-])n1 ZINC000295664127 370550859 /nfs/dbraw/zinc/55/08/59/370550859.db2.gz JOBHCCFGQCOFGF-UHFFFAOYSA-N 0 1 289.339 1.847 20 5 CDBDMN Cc1[nH]nc(C(=O)N(C)[C@@H](C)C2CC2)c1[N+](=O)[O-] ZINC000331817472 204197930 /nfs/dbraw/zinc/19/79/30/204197930.db2.gz BXPVDSUEKATQBU-ZETCQYMHSA-N 0 1 252.274 1.497 20 5 CDBDMN C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000295413154 371263172 /nfs/dbraw/zinc/26/31/72/371263172.db2.gz SNDUYKGLZQJIFW-GWCFXTLKSA-N 0 1 277.324 1.866 20 5 CDBDMN C[C@H](NC(=O)[C@@H]1CCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000295413154 371263173 /nfs/dbraw/zinc/26/31/73/371263173.db2.gz SNDUYKGLZQJIFW-GWCFXTLKSA-N 0 1 277.324 1.866 20 5 CDBDMN C[C@@H]1CN(CCCNc2ccc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000253602343 373937677 /nfs/dbraw/zinc/93/76/77/373937677.db2.gz ACTFHCOOOFBNNC-TXEJJXNPSA-N 0 1 294.355 1.901 20 5 CDBDMN CC1(CN2CCc3ccc([N+](=O)[O-])cc3C2)COC1 ZINC000446739348 374687708 /nfs/dbraw/zinc/68/77/08/374687708.db2.gz TVECKMFFZJXYSS-UHFFFAOYSA-N 0 1 262.309 1.989 20 5 CDBDMN C[C@H](CO)N(Cc1c([N+](=O)[O-])ncn1C)C1CCCC1 ZINC000347244115 374779543 /nfs/dbraw/zinc/77/95/43/374779543.db2.gz ZCPXFDSFLLDXCH-SNVBAGLBSA-N 0 1 282.344 1.454 20 5 CDBDMN CC[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000330427498 374853745 /nfs/dbraw/zinc/85/37/45/374853745.db2.gz KOYIEHUUGPCADJ-GFCCVEGCSA-N 0 1 266.297 1.911 20 5 CDBDMN CS(=O)(=O)C1(CNCc2ccccc2[N+](=O)[O-])CCC1 ZINC000279671200 374944965 /nfs/dbraw/zinc/94/49/65/374944965.db2.gz HSRJKHNCGRUBTL-UHFFFAOYSA-N 0 1 298.364 1.652 20 5 CDBDMN C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]1CO ZINC000282583815 375095082 /nfs/dbraw/zinc/09/50/82/375095082.db2.gz WGBNXMNSGMBOOO-RNCFNFMXSA-N 0 1 268.288 1.937 20 5 CDBDMN C[C@@H](NCc1cnn(C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284184758 375131936 /nfs/dbraw/zinc/13/19/36/375131936.db2.gz RDYBILKSXVAPSG-SECBINFHSA-N 0 1 275.312 1.761 20 5 CDBDMN C[C@H](CC(F)(F)F)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000344824985 375531937 /nfs/dbraw/zinc/53/19/37/375531937.db2.gz ANHJPRSQTFGQRO-SCSAIBSYSA-N 0 1 266.179 1.389 20 5 CDBDMN O=[N+]([O-])c1cc2ccccc2nc1NCc1nnc[nH]1 ZINC000352355939 375498780 /nfs/dbraw/zinc/49/87/80/375498780.db2.gz JVHANZVIDHLJKZ-UHFFFAOYSA-N 0 1 270.252 1.295 20 5 CDBDMN CCCc1[nH]nc(C(=O)N2CC[C@@](C)(F)C2)c1[N+](=O)[O-] ZINC000347318510 375518677 /nfs/dbraw/zinc/51/86/77/375518677.db2.gz MLBHYBXTCGHAGT-GFCCVEGCSA-N 0 1 284.291 1.845 20 5 CDBDMN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H](C)CC(N)=O ZINC000344842176 375565014 /nfs/dbraw/zinc/56/50/14/375565014.db2.gz VNXDSLURNSZILA-VIFPVBQESA-N 0 1 281.312 1.347 20 5 CDBDMN CNC(=O)[C@H]1CCC[C@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000429776292 247526758 /nfs/dbraw/zinc/52/67/58/247526758.db2.gz ZPMJLERCPMJVTO-JOYOIKCWSA-N 0 1 295.314 1.738 20 5 CDBDMN CN1CCC[C@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266156872 190235727 /nfs/dbraw/zinc/23/57/27/190235727.db2.gz OGVDHKAGFDWGKS-ZDUSSCGKSA-N 0 1 277.324 1.348 20 5 CDBDMN O=C1CCc2cc([N+](=O)[O-])c(NCCN3CCC3)cc2N1 ZINC000443892018 250061843 /nfs/dbraw/zinc/06/18/43/250061843.db2.gz PDTKZUINLMDVPV-UHFFFAOYSA-N 0 1 290.323 1.597 20 5 CDBDMN CNC(=O)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267054550 190300095 /nfs/dbraw/zinc/30/00/95/190300095.db2.gz RNOBWMBUGJRXTC-LLVKDONJSA-N 0 1 295.314 1.692 20 5 CDBDMN CCc1nn(C)c(N[C@H](C)c2n[nH]c(C)n2)c1[N+](=O)[O-] ZINC000288434568 197077862 /nfs/dbraw/zinc/07/78/62/197077862.db2.gz NNLQYMOMEPBQOE-ZCFIWIBFSA-N 0 1 279.304 1.490 20 5 CDBDMN CCN(C)CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000288294654 197045311 /nfs/dbraw/zinc/04/53/11/197045311.db2.gz GVIRGZGVTSGGIM-UHFFFAOYSA-N 0 1 291.311 1.607 20 5 CDBDMN C[C@@H]1CC(CNC(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000281510703 195270454 /nfs/dbraw/zinc/27/04/54/195270454.db2.gz IEMGWRMSZBEDFW-HTQZYQBOSA-N 0 1 282.300 1.251 20 5 CDBDMN CC(C)N(CCOCCO)Cc1ccccc1[N+](=O)[O-] ZINC000283749990 390569182 /nfs/dbraw/zinc/56/91/82/390569182.db2.gz KOSXOTYANXOBIP-UHFFFAOYSA-N 0 1 282.340 1.814 20 5 CDBDMN O=[N+]([O-])c1cnn(CCNCc2cncc(F)c2)c1 ZINC000494559472 390664247 /nfs/dbraw/zinc/66/42/47/390664247.db2.gz VHDHQYUSGBPBHM-UHFFFAOYSA-N 0 1 265.248 1.115 20 5 CDBDMN CN(C(=O)c1c(N)cccc1[N+](=O)[O-])[C@@H]1CCCN(C)C1 ZINC000181122317 391031388 /nfs/dbraw/zinc/03/13/88/391031388.db2.gz OINYTOFSVZBJBG-SNVBAGLBSA-N 0 1 292.339 1.343 20 5 CDBDMN C[C@@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C(N)=O ZINC000346672149 391118355 /nfs/dbraw/zinc/11/83/55/391118355.db2.gz TUOLEKHFPMKAQW-BDAKNGLRSA-N 0 1 297.742 1.801 20 5 CDBDMN CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000458110341 391754583 /nfs/dbraw/zinc/75/45/83/391754583.db2.gz GAHBVFBYOGWWIK-GZMMTYOYSA-N 0 1 252.274 1.482 20 5 CDBDMN CCOc1cc(CN[C@@H]2COC[C@@H]2OC)ccc1[N+](=O)[O-] ZINC000459835816 392511923 /nfs/dbraw/zinc/51/19/23/392511923.db2.gz XSUVQBUHPVCILI-RISCZKNCSA-N 0 1 296.323 1.497 20 5 CDBDMN 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/nfs/dbraw/zinc/52/41/22/342524122.db2.gz BMYDIWVFIOGPDE-UHFFFAOYSA-N 0 1 266.297 1.911 20 5 CDBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ncccc1F ZINC000590538918 342575796 /nfs/dbraw/zinc/57/57/96/342575796.db2.gz OFZPIZIBRKMINL-ZCFIWIBFSA-N 0 1 279.231 1.343 20 5 CDBDMN COc1cc(CN[C@H]2CO[C@@H](C)C2)c([N+](=O)[O-])cc1O ZINC000592379619 342687104 /nfs/dbraw/zinc/68/71/04/342687104.db2.gz RMTOEKGZCAPTCT-WCBMZHEXSA-N 0 1 282.296 1.576 20 5 CDBDMN CN1CCCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593384799 342793192 /nfs/dbraw/zinc/79/31/92/342793192.db2.gz TVWDMUUNIROFOT-UHFFFAOYSA-N 0 1 295.314 1.441 20 5 CDBDMN Cc1ccc(CN2CC(N3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000593680138 342826220 /nfs/dbraw/zinc/82/62/20/342826220.db2.gz QYJLRYCMWDJEAL-CQSZACIVSA-N 0 1 291.351 1.154 20 5 CDBDMN C[C@H](CCO)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000593881069 342844417 /nfs/dbraw/zinc/84/44/17/342844417.db2.gz QXULDDIKONBZAG-MRVPVSSYSA-N 0 1 268.269 1.143 20 5 CDBDMN N[C@H](c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@@H]1CCCO1 ZINC000594640783 342939139 /nfs/dbraw/zinc/93/91/39/342939139.db2.gz MZEKNADIFJUDIS-QWHCGFSZSA-N 0 1 289.295 1.354 20 5 CDBDMN CSCCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000534812933 282209883 /nfs/dbraw/zinc/20/98/83/282209883.db2.gz BWDVSXWOAOFPGY-UHFFFAOYSA-N 0 1 282.369 1.475 20 5 CDBDMN Cc1noc(CN[C@H](CCO)C(C)(C)C)c1[N+](=O)[O-] ZINC000595425386 343056141 /nfs/dbraw/zinc/05/61/41/343056141.db2.gz RAYFUYLKVRIQBB-SNVBAGLBSA-N 0 1 271.317 1.778 20 5 CDBDMN O=C(Cc1ccn[nH]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000130321017 346922462 /nfs/dbraw/zinc/92/24/62/346922462.db2.gz HHUPTAJDAKWWOH-UHFFFAOYSA-N 0 1 286.291 1.445 20 5 CDBDMN CCC(CC)(CCO)NCc1onc(C)c1[N+](=O)[O-] ZINC000595475334 343063960 /nfs/dbraw/zinc/06/39/60/343063960.db2.gz IIAKSZZNJHTBJU-UHFFFAOYSA-N 0 1 271.317 1.922 20 5 CDBDMN CC(C)(C)n1cc(Nc2ncc([N+](=O)[O-])c(N)n2)cn1 ZINC000076269274 342320346 /nfs/dbraw/zinc/32/03/46/342320346.db2.gz XCWCQNARDRVZCX-UHFFFAOYSA-N 0 1 277.288 1.662 20 5 CDBDMN CC[C@H]1CN(CC)CCN1Cc1onc(C)c1[N+](=O)[O-] ZINC000595520331 343087987 /nfs/dbraw/zinc/08/79/87/343087987.db2.gz KEYXURKACJLVDF-NSHDSACASA-N 0 1 282.344 1.807 20 5 CDBDMN Cc1noc(CN2CCC[C@H](C)[C@@H]2CCO)c1[N+](=O)[O-] ZINC000595690140 343132551 /nfs/dbraw/zinc/13/25/51/343132551.db2.gz VNLVNNPJLMAKJK-ONGXEEELSA-N 0 1 283.328 1.874 20 5 CDBDMN CCc1nc(SCc2onc(C)c2[N+](=O)[O-])n[nH]1 ZINC000596016999 343219455 /nfs/dbraw/zinc/21/94/55/343219455.db2.gz YCEBCSMIQLQKDJ-UHFFFAOYSA-N 0 1 269.286 1.864 20 5 CDBDMN CCc1n[nH]c(SCc2onc(C)c2[N+](=O)[O-])n1 ZINC000596016999 343219456 /nfs/dbraw/zinc/21/94/56/343219456.db2.gz YCEBCSMIQLQKDJ-UHFFFAOYSA-N 0 1 269.286 1.864 20 5 CDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCCCN1 ZINC000597641363 343589877 /nfs/dbraw/zinc/58/98/77/343589877.db2.gz AKYHBTMXYCOIBE-UHFFFAOYSA-N 0 1 251.242 1.041 20 5 CDBDMN CCn1ccnc1[C@@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000598738999 343892390 /nfs/dbraw/zinc/89/23/90/343892390.db2.gz SYOSVVYXCFYDGF-SSDOTTSWSA-N 0 1 278.272 1.025 20 5 CDBDMN COc1cc([N+](=O)[O-])ccc1CN(C)C[C@H]1C[C@@H](O)C1 ZINC000599654254 344104002 /nfs/dbraw/zinc/10/40/02/344104002.db2.gz FKXAXOHIWPCLIL-GSJFWJNXSA-N 0 1 280.324 1.806 20 5 CDBDMN C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000602071692 344326548 /nfs/dbraw/zinc/32/65/48/344326548.db2.gz DIMBKBYTYIXJSH-SECBINFHSA-N 0 1 251.286 1.161 20 5 CDBDMN CO[C@H](C)[C@@H](C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000602637197 344510548 /nfs/dbraw/zinc/51/05/48/344510548.db2.gz MSDANLKVQSDVQQ-RKDXNWHRSA-N 0 1 278.312 1.984 20 5 CDBDMN CO[C@@H](C)[C@@H](C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000602637194 344510644 /nfs/dbraw/zinc/51/06/44/344510644.db2.gz MSDANLKVQSDVQQ-BDAKNGLRSA-N 0 1 278.312 1.984 20 5 CDBDMN CO[C@H](C)CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602626856 344520549 /nfs/dbraw/zinc/52/05/49/344520549.db2.gz MRKUXQYWRKQLPH-MRVPVSSYSA-N 0 1 265.269 1.861 20 5 CDBDMN CCCc1[nH]nc(C(=O)N2CC[C@H]2C)c1[N+](=O)[O-] ZINC000603267876 344764453 /nfs/dbraw/zinc/76/44/53/344764453.db2.gz WWTNYIJEHQEDPJ-SSDOTTSWSA-N 0 1 252.274 1.505 20 5 CDBDMN Cc1cc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000610014078 346058123 /nfs/dbraw/zinc/05/81/23/346058123.db2.gz MFHAKBGNDRQQSQ-UHFFFAOYSA-N 0 1 289.295 1.626 20 5 CDBDMN O=[N+]([O-])c1ccccc1OCCN1CCc2cn[nH]c2C1 ZINC000611009431 346574881 /nfs/dbraw/zinc/57/48/81/346574881.db2.gz YPZVDPIELXDYES-UHFFFAOYSA-N 0 1 288.307 1.755 20 5 CDBDMN Cc1nc(N2CCN(C)[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000611299034 346740843 /nfs/dbraw/zinc/74/08/43/346740843.db2.gz JDXUSGOKBSAWOM-WDEREUQCSA-N 0 1 264.329 1.827 20 5 CDBDMN Cc1cc([N+](=O)[O-])cnc1N1CCN(C(C)(C)CO)CC1 ZINC000081017041 351122793 /nfs/dbraw/zinc/12/27/93/351122793.db2.gz SLFPINOZZJCPTI-UHFFFAOYSA-N 0 1 294.355 1.191 20 5 CDBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCOC[C@@H]1C1CC1 ZINC000093645191 351346617 /nfs/dbraw/zinc/34/66/17/351346617.db2.gz QQRHGZLXLSSINC-CQSZACIVSA-N 0 1 278.308 1.911 20 5 CDBDMN O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1n[nH]cc1[N+](=O)[O-] ZINC000155113086 188183695 /nfs/dbraw/zinc/18/36/95/188183695.db2.gz ZFRCQIHRFCGEBW-MRTMQBJTSA-N 0 1 280.284 1.005 20 5 CDBDMN C[C@H](N[C@@H]1CCCCNC1=O)c1ccccc1[N+](=O)[O-] ZINC000036977104 363304671 /nfs/dbraw/zinc/30/46/71/363304671.db2.gz AMYJIYQGIMKNHQ-CMPLNLGQSA-N 0 1 277.324 1.914 20 5 CDBDMN COc1ccc([N+](=O)[O-])cc1CN(C)CC[C@@H](C)O ZINC000075780896 356945067 /nfs/dbraw/zinc/94/50/67/356945067.db2.gz JPSCWENHVORLNH-SNVBAGLBSA-N 0 1 268.313 1.806 20 5 CDBDMN CC(C)c1[nH]nc(C(=O)N(C)CCF)c1[N+](=O)[O-] ZINC000294522800 199071656 /nfs/dbraw/zinc/07/16/56/199071656.db2.gz ULINACYZNWDAHT-UHFFFAOYSA-N 0 1 258.253 1.483 20 5 CDBDMN CCCc1[nH]nc(C(=O)N2CC(C(F)F)C2)c1[N+](=O)[O-] ZINC000610871323 358180621 /nfs/dbraw/zinc/18/06/21/358180621.db2.gz CDVLBMZMHSTGJC-UHFFFAOYSA-N 0 1 288.254 1.608 20 5 CDBDMN C[C@H](CN1CCN(C)CC1)Nc1ncc([N+](=O)[O-])s1 ZINC000192451972 358204160 /nfs/dbraw/zinc/20/41/60/358204160.db2.gz BYFIGHVJVRSXAQ-SECBINFHSA-N 0 1 285.373 1.099 20 5 CDBDMN Cc1noc(C)c1[C@@H](C)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000120362838 358808324 /nfs/dbraw/zinc/80/83/24/358808324.db2.gz KVOZKJQWJHILJF-LURJTMIESA-N 0 1 293.283 1.456 20 5 CDBDMN C[C@@H]1CSC[C@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000342334727 359009600 /nfs/dbraw/zinc/00/96/00/359009600.db2.gz ASMHSWOPGBXQNR-RDDDGLTNSA-N 0 1 282.321 1.782 20 5 CDBDMN C[C@@H](N[C@H]1CCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000050394677 359440401 /nfs/dbraw/zinc/44/04/01/359440401.db2.gz XALOKMJUUDCNCG-SKDRFNHKSA-N 0 1 263.297 1.524 20 5 CDBDMN C[C@H]1CC[N@@H+](CCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000548124767 360279557 /nfs/dbraw/zinc/27/95/57/360279557.db2.gz RSKDHAHWVKROMB-JTQLQIEISA-N 0 1 293.323 1.372 20 5 CDBDMN Cc1ccc([N+](=O)[O-])c(N[C@@H](C)CN2CCN(C)CC2)n1 ZINC000178217146 189098687 /nfs/dbraw/zinc/09/86/87/189098687.db2.gz IUBHKCPTIYGFER-LBPRGKRZSA-N 0 1 293.371 1.346 20 5 CDBDMN Cc1[nH]ncc1CNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000178619721 189131706 /nfs/dbraw/zinc/13/17/06/189131706.db2.gz LEBNGRUNFUPWMY-UHFFFAOYSA-N 0 1 288.307 1.794 20 5 CDBDMN O=C([O-])[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000178898670 189153623 /nfs/dbraw/zinc/15/36/23/189153623.db2.gz AHKMDUWOIKETEO-JTQLQIEISA-N 0 1 280.280 1.380 20 5 CDBDMN C[C@H](NC(=O)CCc1nc[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000177170039 238273916 /nfs/dbraw/zinc/27/39/16/238273916.db2.gz LPVWJZVEVVBCNG-VIFPVBQESA-N 0 1 289.295 1.523 20 5 CDBDMN CCc1[nH]nc(C(=O)N2C[C@@H](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000408439397 360999087 /nfs/dbraw/zinc/99/90/87/360999087.db2.gz QWHXLDLTHODPEA-YUMQZZPRSA-N 0 1 266.301 1.751 20 5 CDBDMN C[C@H](C[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000565101184 361365204 /nfs/dbraw/zinc/36/52/04/361365204.db2.gz AFFLEZDKXGFROF-SNVBAGLBSA-N 0 1 282.296 1.626 20 5 CDBDMN C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CCN1 ZINC000088058904 364048645 /nfs/dbraw/zinc/04/86/45/364048645.db2.gz CHGGTQGCELZYFU-SSDOTTSWSA-N 0 1 255.299 1.090 20 5 CDBDMN O=C(Nc1nn[nH]n1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000170852202 364395782 /nfs/dbraw/zinc/39/57/82/364395782.db2.gz OBPVFGBSSQSUCG-UHFFFAOYSA-N 0 1 290.264 1.575 20 5 CDBDMN CN1CCCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000042096459 364499332 /nfs/dbraw/zinc/49/93/32/364499332.db2.gz YDRBUSPWSJOYPQ-UHFFFAOYSA-N 0 1 253.277 1.876 20 5 CDBDMN C[C@H](N[C@@H]1CCCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000036976511 299366181 /nfs/dbraw/zinc/36/61/81/299366181.db2.gz FFLFGSXXJICYPW-GXFFZTMASA-N 0 1 277.324 1.914 20 5 CDBDMN CC(C)[N@@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000272408253 367722010 /nfs/dbraw/zinc/72/20/10/367722010.db2.gz YNFMELOIDGFYBN-UHFFFAOYSA-N 0 1 295.339 1.761 20 5 CDBDMN CC[C@H](C)[N@@H+](C)CCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269200559 367920068 /nfs/dbraw/zinc/92/00/68/367920068.db2.gz QZYDHAYSACIFJT-JTQLQIEISA-N 0 1 295.339 1.761 20 5 CDBDMN CC(C)[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(=O)[O-] ZINC000263576794 371054876 /nfs/dbraw/zinc/05/48/76/371054876.db2.gz QTXVURDQOUCZRH-UHFFFAOYSA-N 0 1 282.296 1.769 20 5 CDBDMN C[C@@H]1C[C@H](O)CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000331663288 204053939 /nfs/dbraw/zinc/05/39/39/204053939.db2.gz XPJYJLBKIQBPQM-APPZFPTMSA-N 0 1 290.279 1.066 20 5 CDBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@H]([C@@H](C)O)C2)c1[N+](=O)[O-] ZINC000272868209 372208319 /nfs/dbraw/zinc/20/83/19/372208319.db2.gz WGFUHRRZIUQCDW-BDAKNGLRSA-N 0 1 296.327 1.284 20 5 CDBDMN CCC(=O)c1ccc(NCc2nn[nH]n2)c([N+](=O)[O-])c1 ZINC000619481202 374108396 /nfs/dbraw/zinc/10/83/96/374108396.db2.gz PYTCUZONIFKXGT-UHFFFAOYSA-N 0 1 276.256 1.313 20 5 CDBDMN O=[N+]([O-])c1ccc(NCCCc2nc[nH]n2)c(F)c1 ZINC000080588962 374474188 /nfs/dbraw/zinc/47/41/88/374474188.db2.gz BDWCFXGORIZPJO-UHFFFAOYSA-N 0 1 265.248 1.897 20 5 CDBDMN O=[N+]([O-])c1cc(F)ccc1NCCc1nc[nH]n1 ZINC000124926843 374866416 /nfs/dbraw/zinc/86/64/16/374866416.db2.gz INYHRBMUNUZFLE-UHFFFAOYSA-N 0 1 251.221 1.507 20 5 CDBDMN Cc1[nH]nc(C(=O)N2CCCC[C@@H]2C[C@H](C)O)c1[N+](=O)[O-] ZINC000279746003 374955714 /nfs/dbraw/zinc/95/57/14/374955714.db2.gz KRWRWKQRNSBGMD-WCBMZHEXSA-N 0 1 296.327 1.392 20 5 CDBDMN O=[N+]([O-])c1cccc(CN2CCc3n[nH]nc3C2)c1 ZINC000351593511 375311148 /nfs/dbraw/zinc/31/11/48/375311148.db2.gz DKENBZOLJNBVDX-UHFFFAOYSA-N 0 1 259.269 1.271 20 5 CDBDMN C[C@@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)c1nnc[nH]1 ZINC000227867228 375637652 /nfs/dbraw/zinc/63/76/52/375637652.db2.gz XFNROPAASKZHBA-SSDOTTSWSA-N 0 1 285.267 1.829 20 5 CDBDMN C[C@@H](O)CN(Cc1ccccc1[N+](=O)[O-])[C@H](C)CO ZINC000249007440 376115864 /nfs/dbraw/zinc/11/58/64/376115864.db2.gz ZQVQLFNEJNWSDS-GHMZBOCLSA-N 0 1 268.313 1.158 20 5 CDBDMN CCN(Cc1ccncc1)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000264209415 190096798 /nfs/dbraw/zinc/09/67/98/190096798.db2.gz RKFAOZLAAMADFX-UHFFFAOYSA-N 0 1 289.295 1.684 20 5 CDBDMN Cc1nnc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[nH]1 ZINC000171548874 376796416 /nfs/dbraw/zinc/79/64/16/376796416.db2.gz LJVLBNIQEDMMIK-UHFFFAOYSA-N 0 1 287.239 1.150 20 5 CDBDMN C[C@@H](NCC(=O)NCC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000182488501 378493005 /nfs/dbraw/zinc/49/30/05/378493005.db2.gz KMMMLRZPQFUJPW-SNVBAGLBSA-N 0 1 277.324 1.772 20 5 CDBDMN CCOC[C@H](C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446835538 250319483 /nfs/dbraw/zinc/31/94/83/250319483.db2.gz PCNOTGRLDKRJBL-VIFPVBQESA-N 0 1 278.312 1.986 20 5 CDBDMN CC[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)C(=O)NC ZINC000449771016 251009725 /nfs/dbraw/zinc/00/97/25/251009725.db2.gz GHQAQELUXSYFDW-JTQLQIEISA-N 0 1 281.312 1.218 20 5 CDBDMN CC[C@H](NCc1cccc([N+](=O)[O-])c1)C(=O)NC ZINC000449775428 251011418 /nfs/dbraw/zinc/01/14/18/251011418.db2.gz NATOJHXEJOGLJE-NSHDSACASA-N 0 1 251.286 1.209 20 5 CDBDMN O=[N+]([O-])c1ccc2[n-]c(O[C@H]3CCC[NH2+]C3)nc2c1 ZINC000094772357 285141420 /nfs/dbraw/zinc/14/14/20/285141420.db2.gz FFAORFRGDFOWNO-VIFPVBQESA-N 0 1 262.269 1.602 20 5 CDBDMN O=[N+]([O-])c1cnc(N[C@@H]2CCCc3cn[nH]c32)nc1 ZINC000273908318 285180607 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CO[C@H]1C[C@@H](NCc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000451496799 391091281 /nfs/dbraw/zinc/09/12/81/391091281.db2.gz MHQLZSLCDUUWJC-ZJUUUORDSA-N 0 1 268.317 1.231 20 5 CDBDMN O=C1NC[C@@H]2[C@H]1CCCN2CCc1ccc([N+](=O)[O-])cc1 ZINC000366884413 391253817 /nfs/dbraw/zinc/25/38/17/391253817.db2.gz NQHUFFGGXPVTGB-ZIAGYGMSSA-N 0 1 289.335 1.348 20 5 CDBDMN CNC(=O)C1CN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000459610974 392491689 /nfs/dbraw/zinc/49/16/89/392491689.db2.gz POZFIBPRGHSRKI-WDZFZDKYSA-N 0 1 289.335 1.676 20 5 CDBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](CO)C1 ZINC000430207393 393092361 /nfs/dbraw/zinc/09/23/61/393092361.db2.gz ZJUROSLMYFDPFI-LLVKDONJSA-N 0 1 280.324 1.808 20 5 CDBDMN COc1cc([N+](=O)[O-])ccc1CN1C[C@H](O)C(C)(C)C1 ZINC000430232278 393095266 /nfs/dbraw/zinc/09/52/66/393095266.db2.gz LUHADRXRWVQPNS-ZDUSSCGKSA-N 0 1 280.324 1.806 20 5 CDBDMN CCN1C[C@@H](NCc2ccc(OC)c([N+](=O)[O-])c2)CC1=O ZINC000391607475 393150157 /nfs/dbraw/zinc/15/01/57/393150157.db2.gz 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JAURLNZFKILSRI-LBPRGKRZSA-N 0 1 298.339 1.481 20 5 CDBDMN C[C@H](CNc1ccsc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000609561005 345808388 /nfs/dbraw/zinc/80/83/88/345808388.db2.gz SWJQXKVKBQJYJO-SNVBAGLBSA-N 0 1 284.385 1.704 20 5 CDBDMN COc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(C)[nH]n1 ZINC000609594699 345821614 /nfs/dbraw/zinc/82/16/14/345821614.db2.gz DKESGRYULNAKOK-UHFFFAOYSA-N 0 1 290.279 1.565 20 5 CDBDMN Cc1cc(CNC(=O)c2ccccc2[N+](=O)[O-])n[nH]1 ZINC000609594768 345821712 /nfs/dbraw/zinc/82/17/12/345821712.db2.gz FTZWLZBMACENRR-UHFFFAOYSA-N 0 1 260.253 1.556 20 5 CDBDMN CCc1cc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)on1 ZINC000610891533 346480708 /nfs/dbraw/zinc/48/07/08/346480708.db2.gz UJEUBIQHYIBHKI-UHFFFAOYSA-N 0 1 291.263 1.781 20 5 CDBDMN CNC(=O)[C@H]1CCCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000104668901 186012459 /nfs/dbraw/zinc/01/24/59/186012459.db2.gz WHLMNSZMXFYOSX-CQSZACIVSA-N 0 1 291.351 1.738 20 5 CDBDMN CC(C)CONC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000123021789 187065991 /nfs/dbraw/zinc/06/59/91/187065991.db2.gz HVBYWRFWMGJEPV-UHFFFAOYSA-N 0 1 278.268 1.789 20 5 CDBDMN CC(C)[C@H]1C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CCO1 ZINC000271470172 191156635 /nfs/dbraw/zinc/15/66/35/191156635.db2.gz YRHHEBRMWLZELN-PSASIEDQSA-N 0 1 282.300 1.251 20 5 CDBDMN Nc1nc(N[C@@H]2CCCc3cn[nH]c32)ncc1[N+](=O)[O-] ZINC000268891055 366124730 /nfs/dbraw/zinc/12/47/30/366124730.db2.gz YEMABNVFXKCOLQ-SSDOTTSWSA-N 0 1 275.272 1.180 20 5 CDBDMN C[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000181029682 357305025 /nfs/dbraw/zinc/30/50/25/357305025.db2.gz RHWVTEZNQNYFDW-VIFPVBQESA-N 0 1 292.339 1.390 20 5 CDBDMN O=C(NCC(F)(F)Br)c1n[nH]cc1[N+](=O)[O-] ZINC000286568883 357459000 /nfs/dbraw/zinc/45/90/00/357459000.db2.gz BRLVDMWYXWPCBL-UHFFFAOYSA-N 0 1 299.031 1.035 20 5 CDBDMN C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000135230027 357799570 /nfs/dbraw/zinc/79/95/70/357799570.db2.gz ASPGVTFQONMRAI-PHIMTYICSA-N 0 1 277.324 1.346 20 5 CDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCO[C@@H](CF)C1 ZINC000331362108 357934127 /nfs/dbraw/zinc/93/41/27/357934127.db2.gz ZWBMGJJBTSILCO-NSHDSACASA-N 0 1 284.243 1.111 20 5 CDBDMN CO[C@@H](C)CS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000337741008 358162051 /nfs/dbraw/zinc/16/20/51/358162051.db2.gz CWEGKJVFDBXROY-VIFPVBQESA-N 0 1 288.325 1.680 20 5 CDBDMN Cc1cc(C(=O)N(C)Cc2n[nH]c(=O)o2)ccc1[N+](=O)[O-] ZINC000588849244 358240535 /nfs/dbraw/zinc/24/05/35/358240535.db2.gz RAGRUOOZJRDPDL-UHFFFAOYSA-N 0 1 292.251 1.264 20 5 CDBDMN O=[N+]([O-])c1cccc(CN2CCC(OCCO)CC2)c1 ZINC000135388939 358402520 /nfs/dbraw/zinc/40/25/20/358402520.db2.gz NTATVIAIXOOYAS-UHFFFAOYSA-N 0 1 280.324 1.568 20 5 CDBDMN C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1(C(=O)[O-])CCCC1 ZINC000567488116 358689239 /nfs/dbraw/zinc/68/92/39/358689239.db2.gz GYOGSBLWADDFBZ-UHFFFAOYSA-N 0 1 282.300 1.121 20 5 CDBDMN Cc1ncsc1CN(C)CCn1ccc([N+](=O)[O-])n1 ZINC000176237364 358749464 /nfs/dbraw/zinc/74/94/64/358749464.db2.gz SBOAWPGOZXUWCG-UHFFFAOYSA-N 0 1 281.341 1.688 20 5 CDBDMN COc1ccc(CN2CCC[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000050104330 359571721 /nfs/dbraw/zinc/57/17/21/359571721.db2.gz VPQGSBWKJBRJBM-LBPRGKRZSA-N 0 1 280.324 1.808 20 5 CDBDMN COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000580897183 363952965 /nfs/dbraw/zinc/95/29/65/363952965.db2.gz FZYDDQPFSWKEOE-JTQLQIEISA-N 0 1 280.280 1.510 20 5 CDBDMN C[C@H](CC(=O)[O-])[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000582074455 364066638 /nfs/dbraw/zinc/06/66/38/364066638.db2.gz XTPRRGOUAJMURE-SNVBAGLBSA-N 0 1 282.296 1.769 20 5 CDBDMN CC(C)(CC(N)=O)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000230651746 364860410 /nfs/dbraw/zinc/86/04/10/364860410.db2.gz CPCODWGGZCBYTF-UHFFFAOYSA-N 0 1 285.731 1.992 20 5 CDBDMN Cc1ccc(NC(=O)N2CCN[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000414665725 241311288 /nfs/dbraw/zinc/31/12/88/241311288.db2.gz VHZRCYZRNXWXQA-JTQLQIEISA-N 0 1 278.312 1.729 20 5 CDBDMN Cc1ccc(OCCNC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000179116214 367173752 /nfs/dbraw/zinc/17/37/52/367173752.db2.gz WXTNLULVTKKEKR-UHFFFAOYSA-N 0 1 290.279 1.435 20 5 CDBDMN COC1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCC1 ZINC000272495966 367742611 /nfs/dbraw/zinc/74/26/11/367742611.db2.gz FWDOMRAZLNGAKW-UHFFFAOYSA-N 0 1 280.280 1.599 20 5 CDBDMN CC[C@@H](COC)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272516479 367745450 /nfs/dbraw/zinc/74/54/50/367745450.db2.gz KQDZFJUQVVPAHE-VIFPVBQESA-N 0 1 268.269 1.455 20 5 CDBDMN CN(C[C@@H]1CCCCO1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272589921 367777145 /nfs/dbraw/zinc/77/71/45/367777145.db2.gz PJQJXONYKPNSMN-ZDUSSCGKSA-N 0 1 294.307 1.942 20 5 CDBDMN O=C(N[C@H]1CCCSC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272712794 367806704 /nfs/dbraw/zinc/80/67/04/367806704.db2.gz YFOPMXHYSGNZAU-VIFPVBQESA-N 0 1 282.321 1.926 20 5 CDBDMN O=[N+]([O-])c1cccnc1N1CCN(CCCCCO)CC1 ZINC000298024682 368164080 /nfs/dbraw/zinc/16/40/80/368164080.db2.gz FATFOAIJLNJRCM-UHFFFAOYSA-N 0 1 294.355 1.274 20 5 CDBDMN CCn1c(C)nc([N+](=O)[O-])c1N1CCN(C(C)C)CC1 ZINC000360880998 368533648 /nfs/dbraw/zinc/53/36/48/368533648.db2.gz IMMUFPCREBQGBB-UHFFFAOYSA-N 0 1 281.360 1.650 20 5 CDBDMN CCc1[nH]nc(C(=O)N(C)C2CCCC2)c1[N+](=O)[O-] ZINC000170683523 368510324 /nfs/dbraw/zinc/51/03/24/368510324.db2.gz XTHNMJNWWCMONQ-UHFFFAOYSA-N 0 1 266.301 1.895 20 5 CDBDMN Cc1nc(NOC[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000276232323 193252214 /nfs/dbraw/zinc/25/22/14/193252214.db2.gz NWYPMYNIISMRFJ-VIFPVBQESA-N 0 1 253.258 1.678 20 5 CDBDMN CNC(=O)CCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135226439 369651650 /nfs/dbraw/zinc/65/16/50/369651650.db2.gz MSYWJRZHHGWXHJ-UHFFFAOYSA-N 0 1 277.324 1.695 20 5 CDBDMN C[C@H](O)[C@@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272817328 370193926 /nfs/dbraw/zinc/19/39/26/370193926.db2.gz MDPHNVDFKFASNC-DTWKUNHWSA-N 0 1 280.280 1.143 20 5 CDBDMN O=C(Nc1cccc2c1OCCC2=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000367859733 371061412 /nfs/dbraw/zinc/06/14/12/371061412.db2.gz PESNAWUZWDRHGG-PSASIEDQSA-N 0 1 276.248 1.256 20 5 CDBDMN C[C@H]1CN2CCCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000331989016 204365214 /nfs/dbraw/zinc/36/52/14/204365214.db2.gz NNWYTAFQCUHWJG-QWRGUYRKSA-N 0 1 292.339 1.622 20 5 CDBDMN COC(C)(C)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356625331 372986357 /nfs/dbraw/zinc/98/63/57/372986357.db2.gz ZFMUJRHWRLWPIT-UHFFFAOYSA-N 0 1 268.269 1.455 20 5 CDBDMN Cc1cc(CC(=O)NCc2ccccc2[N+](=O)[O-])[nH]n1 ZINC000121826128 373463011 /nfs/dbraw/zinc/46/30/11/373463011.db2.gz WLNJQVXDITVTIJ-UHFFFAOYSA-N 0 1 274.280 1.485 20 5 CDBDMN Cc1[nH]nc(C(=O)N2CCC[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000266049645 373784064 /nfs/dbraw/zinc/78/40/64/373784064.db2.gz FRDJBHMBZRCUOO-IONNQARKSA-N 0 1 266.301 1.887 20 5 CDBDMN CN1CCN(C)[C@@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000225345914 374244180 /nfs/dbraw/zinc/24/41/80/374244180.db2.gz UFCHWXONBMROHB-ZDUSSCGKSA-N 0 1 264.329 1.253 20 5 CDBDMN O=[N+]([O-])c1ccccc1/C=C/CN1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000368631700 374321586 /nfs/dbraw/zinc/32/15/86/374321586.db2.gz IGXWYRYBLVSOOQ-LXBXCZCDSA-N 0 1 274.320 1.778 20 5 CDBDMN CCOc1cc(C[N@H+]2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000276960387 374762832 /nfs/dbraw/zinc/76/28/32/374762832.db2.gz VLGZTVRPGXVZPV-LLVKDONJSA-N 0 1 266.297 1.560 20 5 CDBDMN CCOc1cc(CN2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000276960387 374762840 /nfs/dbraw/zinc/76/28/40/374762840.db2.gz VLGZTVRPGXVZPV-LLVKDONJSA-N 0 1 266.297 1.560 20 5 CDBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](OCC(C)C)C2)c1[N+](=O)[O-] ZINC000332652966 375040206 /nfs/dbraw/zinc/04/02/06/375040206.db2.gz DHGPLEHUIDVPQP-SNVBAGLBSA-N 0 1 296.327 1.513 20 5 CDBDMN CCc1[nH]nc(C(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000293850799 375161127 /nfs/dbraw/zinc/16/11/27/375161127.db2.gz ALDQADPOKHZESI-DTORHVGOSA-N 0 1 295.343 1.045 20 5 CDBDMN CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1O ZINC000283268150 375113200 /nfs/dbraw/zinc/11/32/00/375113200.db2.gz WLAZCQBLSXRQRG-ZWNOBZJWSA-N 0 1 268.288 1.937 20 5 CDBDMN Cc1ncc(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000283466806 375114871 /nfs/dbraw/zinc/11/48/71/375114871.db2.gz XYRBQGBAYJPTIS-UHFFFAOYSA-N 0 1 288.307 1.941 20 5 CDBDMN C[C@@H](NC(=O)[C@@H]1CCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000299611444 375185609 /nfs/dbraw/zinc/18/56/09/375185609.db2.gz YYCBYRWHMSSZNM-MFKMUULPSA-N 0 1 277.324 1.866 20 5 CDBDMN COc1ccc(CN2CC[C@@H](C)[C@@H]2CO)cc1[N+](=O)[O-] ZINC000227193951 375462070 /nfs/dbraw/zinc/46/20/70/375462070.db2.gz HXMUQALIGKOKHN-MFKMUULPSA-N 0 1 280.324 1.806 20 5 CDBDMN C/C=C\C[C@@H](CO)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000354695361 375741934 /nfs/dbraw/zinc/74/19/34/375741934.db2.gz YUVMTNACKFYPHT-ZMWSMAPVSA-N 0 1 280.280 1.357 20 5 CDBDMN CN(Cc1ccncc1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427903090 247211018 /nfs/dbraw/zinc/21/10/18/247211018.db2.gz JOHNDHGBFZQWLZ-UHFFFAOYSA-N 0 1 287.275 1.968 20 5 CDBDMN Cc1[nH]nc(C(=O)N(C)[C@@H]2CCCC[C@H]2O)c1[N+](=O)[O-] ZINC000428611751 247334894 /nfs/dbraw/zinc/33/48/94/247334894.db2.gz IUNVVKGGTJOKQY-RKDXNWHRSA-N 0 1 282.300 1.002 20 5 CDBDMN O=[N+]([O-])c1ccc(CN[C@H](CO)CC(F)F)c(F)c1 ZINC000428648821 247340473 /nfs/dbraw/zinc/34/04/73/247340473.db2.gz RINPQWBQLUCDGQ-QMMMGPOBSA-N 0 1 278.230 1.840 20 5 CDBDMN CCc1[nH]nc(C(=O)N2CCOC[C@H]2CC)c1[N+](=O)[O-] ZINC000192582744 378207324 /nfs/dbraw/zinc/20/73/24/378207324.db2.gz YBJZGNZTVSVXND-MRVPVSSYSA-N 0 1 282.300 1.131 20 5 CDBDMN C[C@@H](N=c1[nH]c2ccccc2cc1[N+](=O)[O-])C(=O)N(C)C ZINC000357647438 378691620 /nfs/dbraw/zinc/69/16/20/378691620.db2.gz CIDAZXZIBLQZIQ-SECBINFHSA-N 0 1 288.307 1.454 20 5 CDBDMN O=C(NCc1ccc[nH]1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000174319594 379452140 /nfs/dbraw/zinc/45/21/40/379452140.db2.gz XBYOXGWMEBHDCC-UHFFFAOYSA-N 0 1 285.263 1.729 20 5 CDBDMN CO[C@@H]1CCC[C@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000452994814 252242511 /nfs/dbraw/zinc/24/25/11/252242511.db2.gz GFQCJXPHHFHKCL-VXGBXAGGSA-N 0 1 280.280 1.598 20 5 CDBDMN O=[N+]([O-])c1cccc(CN(C[C@H]2COCCO2)C2CC2)c1 ZINC000450500486 285153217 /nfs/dbraw/zinc/15/32/17/285153217.db2.gz NEBNLKXKFFSCNC-HNNXBMFYSA-N 0 1 292.335 1.975 20 5 CDBDMN CCc1[nH]nc(C(=O)N2CCN(CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000288406094 197069374 /nfs/dbraw/zinc/06/93/74/197069374.db2.gz LKZWXONMPQKMSF-VIFPVBQESA-N 0 1 295.343 1.047 20 5 CDBDMN C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@H](C)S1 ZINC000531101387 390557764 /nfs/dbraw/zinc/55/77/64/390557764.db2.gz BXIAJICGEPJFHU-UWVGGRQHSA-N 0 1 270.358 1.617 20 5 CDBDMN CCOc1cc(C[N@@H+](C)[C@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000517042183 390968188 /nfs/dbraw/zinc/96/81/88/390968188.db2.gz NFBCPBBIGBHHHD-SECBINFHSA-N 0 1 282.296 1.898 20 5 CDBDMN Cc1nc([C@@H]2CCN(c3ccc([N+](=O)[O-])c(C)n3)C2)n[nH]1 ZINC000413544813 391237902 /nfs/dbraw/zinc/23/79/02/391237902.db2.gz BZNUDPDGOLLECI-SNVBAGLBSA-N 0 1 288.311 1.719 20 5 CDBDMN Cc1nnc([C@@H]2CCN(c3ccc([N+](=O)[O-])c(C)n3)C2)[nH]1 ZINC000413544813 391237905 /nfs/dbraw/zinc/23/79/05/391237905.db2.gz BZNUDPDGOLLECI-SNVBAGLBSA-N 0 1 288.311 1.719 20 5 CDBDMN CCOC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(C)C ZINC000191438109 130236110 /nfs/dbraw/zinc/23/61/10/130236110.db2.gz DBIAYVCKUHFZQO-QMMMGPOBSA-N 0 1 270.289 1.109 20 5 CDBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccc(O)c1 ZINC000130618721 392000755 /nfs/dbraw/zinc/00/07/55/392000755.db2.gz MGVWBMURJVFDBV-ZETCQYMHSA-N 0 1 276.252 1.515 20 5 CDBDMN COc1cc(CNCc2ccn(C)c2)c([N+](=O)[O-])cc1O ZINC000267111856 392138165 /nfs/dbraw/zinc/13/81/65/392138165.db2.gz RGJWMRICMHYIRW-UHFFFAOYSA-N 0 1 291.307 1.937 20 5 CDBDMN C[C@@H](C(=O)[O-])[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000262668620 131249850 /nfs/dbraw/zinc/24/98/50/131249850.db2.gz QQGZHHLEMRTDSF-VIFPVBQESA-N 0 1 268.269 1.379 20 5 CDBDMN CN(C)CC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000442672819 392448766 /nfs/dbraw/zinc/44/87/66/392448766.db2.gz ROOVCVYKTRFPDU-ZDUSSCGKSA-N 0 1 295.364 1.730 20 5 CDBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@](C)(O)C1 ZINC000430208376 393093228 /nfs/dbraw/zinc/09/32/28/393093228.db2.gz OQSKDEMZYXXFPN-CQSZACIVSA-N 0 1 280.324 1.950 20 5 CDBDMN COC(=O)[C@H](C)CN(C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430203579 393093668 /nfs/dbraw/zinc/09/36/68/393093668.db2.gz PBBCLXTWEXRDES-SNVBAGLBSA-N 0 1 296.323 1.844 20 5 CDBDMN NC1(c2noc(-c3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000261842744 140397746 /nfs/dbraw/zinc/39/77/46/140397746.db2.gz SDUDZXZWUNNAGM-UHFFFAOYSA-N 0 1 260.253 1.983 20 5 CDBDMN O=C(NCC1Cc2ccccc2C1)c1n[nH]cc1[N+](=O)[O-] ZINC000343662809 152259963 /nfs/dbraw/zinc/25/99/63/152259963.db2.gz MQLDPMJAIZZVOG-UHFFFAOYSA-N 0 1 286.291 1.463 20 5 CDBDMN CSc1n[nH]c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000354132783 156282102 /nfs/dbraw/zinc/28/21/02/156282102.db2.gz VLPFGENWVYEVSH-UHFFFAOYSA-N 0 1 293.308 1.616 20 5 CDBDMN COC(=O)C[C@@]1(NCc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000361741469 158975773 /nfs/dbraw/zinc/97/57/73/158975773.db2.gz WHCQSXXAGWPBQR-AWEZNQCLSA-N 0 1 294.307 1.407 20 5 CDBDMN Cn1cc(-c2ncccc2NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC000372719069 160142999 /nfs/dbraw/zinc/14/29/99/160142999.db2.gz SVBOFRZGFPOZIE-MWLCHTKSSA-N 0 1 287.279 1.086 20 5 CDBDMN COCC[C@H]1CCCCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000375113821 160346442 /nfs/dbraw/zinc/34/64/42/160346442.db2.gz KAWHJGKETSJJOU-GFCCVEGCSA-N 0 1 296.371 1.967 20 5 CDBDMN COc1ccc(C[N@H+]2CCC[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000035300621 172115731 /nfs/dbraw/zinc/11/57/31/172115731.db2.gz RBXFVMUDGINIGK-JTQLQIEISA-N 0 1 280.280 1.652 20 5 CDBDMN CCCc1[nH]nc(C(=O)N2CCO[C@@H](CC)C2)c1[N+](=O)[O-] ZINC000071890284 176291193 /nfs/dbraw/zinc/29/11/93/176291193.db2.gz MNGFXBOOZWJIIZ-VIFPVBQESA-N 0 1 296.327 1.521 20 5 CDBDMN Cc1cc(C(=O)N(C)Cc2nnc[nH]2)ccc1[N+](=O)[O-] ZINC000078006897 177317124 /nfs/dbraw/zinc/31/71/24/177317124.db2.gz LRGDGMNTPFJIRS-UHFFFAOYSA-N 0 1 275.268 1.294 20 5 CDBDMN CSc1nn(CCOc2ccccc2[N+](=O)[O-])c(=O)[nH]1 ZINC000188169023 262232052 /nfs/dbraw/zinc/23/20/52/262232052.db2.gz OOTRCCNEIYOUEH-UHFFFAOYSA-N 0 1 296.308 1.281 20 5 CDBDMN C[C@H]1C[C@@H]1CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000453576404 270393624 /nfs/dbraw/zinc/39/36/24/270393624.db2.gz MRFOTQKOOPWNLQ-NWDGAFQWSA-N 0 1 276.340 1.768 20 5 CDBDMN CN(C)C1CN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000271763610 273792766 /nfs/dbraw/zinc/79/27/66/273792766.db2.gz ZOSCTHAWVVEHJC-UHFFFAOYSA-N 0 1 256.693 1.393 20 5 CDBDMN CC(C)[C@](C)(NCc1ccc([N+](=O)[O-])c(F)c1)C(N)=O ZINC000297775801 275718712 /nfs/dbraw/zinc/71/87/12/275718712.db2.gz VXTHCWYEKJDTSY-ZDUSSCGKSA-N 0 1 283.303 1.724 20 5 CDBDMN C[C@H]1CCCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000355551407 278343042 /nfs/dbraw/zinc/34/30/42/278343042.db2.gz ICAFSOJXLGTTLP-JTQLQIEISA-N 0 1 252.318 1.950 20 5 CDBDMN Cc1nc([C@@H]2CCN(c3ncc(C)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000413558272 279106975 /nfs/dbraw/zinc/10/69/75/279106975.db2.gz VZSXTLUXDHDCFB-SNVBAGLBSA-N 0 1 288.311 1.719 20 5 CDBDMN Cc1nnc([C@@H]2CCN(c3ncc(C)cc3[N+](=O)[O-])C2)[nH]1 ZINC000413558272 279106978 /nfs/dbraw/zinc/10/69/78/279106978.db2.gz VZSXTLUXDHDCFB-SNVBAGLBSA-N 0 1 288.311 1.719 20 5 CDBDMN C[C@@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C[C@@H](C)N1 ZINC000227036766 280103070 /nfs/dbraw/zinc/10/30/70/280103070.db2.gz GOLWEDCHKQFWOL-UXFRKABBSA-N 0 1 289.335 1.817 20 5 CDBDMN O=[N+]([O-])c1cc(CNCCn2cnnc2C2CC2)cs1 ZINC000156239363 289260871 /nfs/dbraw/zinc/26/08/71/289260871.db2.gz QELNDKNQILCLRX-UHFFFAOYSA-N 0 1 293.352 1.915 20 5 CDBDMN C[C@H]1CC(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)=NO1 ZINC000272715733 290351113 /nfs/dbraw/zinc/35/11/13/290351113.db2.gz YRYRFJZXWKLAKC-LURJTMIESA-N 0 1 265.225 1.153 20 5 CDBDMN C[C@]1(C(=O)[O-])CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000570730071 294298166 /nfs/dbraw/zinc/29/81/66/294298166.db2.gz XVXMJDULFWVZSS-AWEZNQCLSA-N 0 1 294.307 1.770 20 5 CDBDMN CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])CCC(=O)[O-] ZINC000576643646 317179246 /nfs/dbraw/zinc/17/92/46/317179246.db2.gz XHKPGFSANKKFSW-UHFFFAOYSA-N 0 1 282.296 1.770 20 5 CDBDMN CC(=O)N1CC(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000582430935 324976319 /nfs/dbraw/zinc/97/63/19/324976319.db2.gz MKZQCDAZTYYPGG-VIFPVBQESA-N 0 1 263.297 1.476 20 5 CDBDMN C[C@@H](Sc1c[nH]nn1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000177363253 534020138 /nfs/dbraw/zinc/02/01/38/534020138.db2.gz QHTRXSYETZBJSG-SSDOTTSWSA-N 0 1 293.308 1.832 20 5 CDBDMN COCC[C@H]1COCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339208930 521994210 /nfs/dbraw/zinc/99/42/10/521994210.db2.gz QWJRLLJHDKHLTD-LBPRGKRZSA-N 0 1 296.323 1.538 20 5 CDBDMN CC[C@@H](CSC)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000182559075 522612390 /nfs/dbraw/zinc/61/23/90/522612390.db2.gz GJCBJVPKHCKHRZ-LURJTMIESA-N 0 1 258.303 1.189 20 5 CDBDMN COCCN(CCOC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000062351257 523717313 /nfs/dbraw/zinc/71/73/13/523717313.db2.gz JXLXOTHNGGCXCB-AWEZNQCLSA-N 0 1 298.339 1.223 20 5 CDBDMN C[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])c1nnc[nH]1 ZINC000226500602 525728234 /nfs/dbraw/zinc/72/82/34/525728234.db2.gz HIPVQXLTMCIZMR-RXMQYKEDSA-N 0 1 268.664 1.934 20 5 CDBDMN Cc1cnc([C@@H](C)NCCn2cc([N+](=O)[O-])cn2)s1 ZINC000184993497 526124324 /nfs/dbraw/zinc/12/43/24/526124324.db2.gz JWRRGUJWGZRHAK-SECBINFHSA-N 0 1 281.341 1.907 20 5 CDBDMN Cc1nn(C[N@@H+]2C[C@H](C)[C@@](C)(C(=O)[O-])C2)c(C)c1[N+](=O)[O-] ZINC001600788919 1174610172 /nfs/dbraw/zinc/61/01/72/1174610172.db2.gz KRUSTAJANORRAM-SDBXPKJASA-N 0 1 296.327 1.408 20 5 CDBDMN C[C@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000742234632 575938726 /nfs/dbraw/zinc/93/87/26/575938726.db2.gz GAYHDNYXGIOBER-ZCRIDZFUSA-N 0 1 289.335 1.771 20 5 CDBDMN Cc1cnc(CCOC(=O)c2ccc([N+](=O)[O-])[nH]2)cn1 ZINC000760387178 576481398 /nfs/dbraw/zinc/48/13/98/576481398.db2.gz JBHUYZMSIXGLRT-UHFFFAOYSA-N 0 1 276.252 1.421 20 5 CDBDMN Cc1nn(C[N@@H+]2CCC[C@@H](CC(=O)[O-])C2)c(C)c1[N+](=O)[O-] ZINC000819029895 597045872 /nfs/dbraw/zinc/04/58/72/597045872.db2.gz LIURTQFSFIMSFD-NSHDSACASA-N 0 1 296.327 1.552 20 5 CDBDMN Cc1nn(C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)c(C)c1[N+](=O)[O-] ZINC000819029895 597045876 /nfs/dbraw/zinc/04/58/76/597045876.db2.gz LIURTQFSFIMSFD-NSHDSACASA-N 0 1 296.327 1.552 20 5 CDBDMN O=C(O[C@@H]1CCN(c2ccccc2)C1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840670591 618381718 /nfs/dbraw/zinc/38/17/18/618381718.db2.gz IQYXSJPZDLZUJS-IJLUTSLNSA-N 0 1 290.275 1.000 20 5 CDBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccc(F)cc1F ZINC000840672325 618484804 /nfs/dbraw/zinc/48/48/04/618484804.db2.gz IREMIKYNKANCEF-PTHKFVFGSA-N 0 1 299.229 1.744 20 5 CDBDMN O=C(O[C@H](c1ccccn1)C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000841157051 618720902 /nfs/dbraw/zinc/72/09/02/618720902.db2.gz DETOBROPJWUAGX-FTLITQJKSA-N 0 1 290.197 1.893 20 5 CDBDMN COc1c(O)ccc(CN[C@H]2CO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000895125258 619320615 /nfs/dbraw/zinc/32/06/15/619320615.db2.gz SOSWGHGPVWYXNP-WCBMZHEXSA-N 0 1 282.296 1.576 20 5 CDBDMN O=[N+]([O-])c1cc[n+]([O-])c(N[C@H]2CNCc3ccsc32)c1 ZINC001155558427 1167230913 /nfs/dbraw/zinc/23/09/13/1167230913.db2.gz CFHLFFIUBVOLNI-JTQLQIEISA-N 0 1 292.320 1.546 20 5 CDBDMN CN(CCNC(=O)C(C)(C)F)Cc1ccc([N+](=O)[O-])cc1 ZINC001753039111 1182202085 /nfs/dbraw/zinc/20/20/85/1182202085.db2.gz NJJHZIBLXKGWDI-UHFFFAOYSA-N 0 1 297.330 1.891 20 5 CDBDMN Cc1cnc(N2C[C@H](C)N(C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000408068097 719155305 /nfs/dbraw/zinc/15/53/05/719155305.db2.gz RKRZROQHNRARDO-WDEREUQCSA-N 0 1 264.329 1.827 20 5 CDBDMN CN1CCO[C@@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000154059099 719372444 /nfs/dbraw/zinc/37/24/44/719372444.db2.gz VNSLRFGAIYZINC-WDEREUQCSA-N 0 1 298.730 1.162 20 5 CDBDMN Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H](CC(C)C)C(=O)[O-] ZINC001607985508 1164361687 /nfs/dbraw/zinc/36/16/87/1164361687.db2.gz WKOOSIAIKMXSHL-NSHDSACASA-N 0 1 298.343 1.531 20 5 CDBDMN COC(=O)[C@H]1CCC[C@@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000785956828 739806065 /nfs/dbraw/zinc/80/60/65/739806065.db2.gz HQSSCCMRYMOHGE-DTWKUNHWSA-N 0 1 296.279 1.812 20 5 CDBDMN CCC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccn1 ZINC000839654761 739814982 /nfs/dbraw/zinc/81/49/82/739814982.db2.gz QDPZROOEDLUDIS-ADEWGFFLSA-N 0 1 263.297 1.704 20 5 CDBDMN CCN(CC)C(=O)CNCc1ccc([N+](=O)[O-])cc1 ZINC000037668630 740324661 /nfs/dbraw/zinc/32/46/61/740324661.db2.gz NDEVLBSTPFNTOO-UHFFFAOYSA-N 0 1 265.313 1.553 20 5 CDBDMN CN(Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CC(C)(C)OC1=O ZINC000814181214 740457055 /nfs/dbraw/zinc/45/70/55/740457055.db2.gz XQPIACYZZXMGIG-GFCCVEGCSA-N 0 1 294.307 1.826 20 5 CDBDMN CCOC(=O)[C@@H](C[C@H](C)CC)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000928310197 740655593 /nfs/dbraw/zinc/65/55/93/740655593.db2.gz LOEJXHYNTATVBF-GWOFURMSSA-N 0 1 286.328 1.136 20 5 CDBDMN COC(=O)[C@@H]1CCC[C@@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000785956830 741059187 /nfs/dbraw/zinc/05/91/87/741059187.db2.gz HQSSCCMRYMOHGE-RKDXNWHRSA-N 0 1 296.279 1.812 20 5 CDBDMN O=C(N[C@H](CCO)C1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839716099 741193579 /nfs/dbraw/zinc/19/35/79/741193579.db2.gz ZGVFGNVQUHPYMQ-IJLUTSLNSA-N 0 1 270.329 1.099 20 5 CDBDMN Cc1nn(CN2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000840120768 741222694 /nfs/dbraw/zinc/22/26/94/741222694.db2.gz OFEBYNABHPCFJG-YRGRVCCFSA-N 0 1 294.355 1.683 20 5 CDBDMN COc1c(Cl)cccc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000887427360 741343353 /nfs/dbraw/zinc/34/33/53/741343353.db2.gz MLFVIJCRXMAPGA-PSASIEDQSA-N 0 1 284.699 1.630 20 5 CDBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000783735335 741815938 /nfs/dbraw/zinc/81/59/38/741815938.db2.gz PLLVLFVDTVIMEU-MFKMUULPSA-N 0 1 264.281 1.115 20 5 CDBDMN CC(C)NCc1cn(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000090299875 741826306 /nfs/dbraw/zinc/82/63/06/741826306.db2.gz RMENIEBVPYLEGX-UHFFFAOYSA-N 0 1 261.285 1.674 20 5 CDBDMN O=[N+]([O-])c1ncccc1CN[C@H]1C[C@@H](O)C12CCC2 ZINC000886280723 741853624 /nfs/dbraw/zinc/85/36/24/741853624.db2.gz JQKORVFAEWDOFP-WDEREUQCSA-N 0 1 263.297 1.383 20 5 CDBDMN O=C(Nc1cnc2c(c1)CCCC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840419726 741935233 /nfs/dbraw/zinc/93/52/33/741935233.db2.gz YUSBPCZPAAULTD-ZYHUDNBSSA-N 0 1 261.281 1.564 20 5 CDBDMN C[C@H]1C[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])CC(C)(C)C1=O ZINC000847941699 742084792 /nfs/dbraw/zinc/08/47/92/742084792.db2.gz JQECVVQCZRSZRW-SGIHWFKDSA-N 0 1 269.297 1.589 20 5 CDBDMN C[C@H](CC(C)(C)O)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000835422779 742309786 /nfs/dbraw/zinc/30/97/86/742309786.db2.gz ITNRJAKOULPPKZ-SSDOTTSWSA-N 0 1 256.258 1.629 20 5 CDBDMN CCN1CC[C@H]1CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000882492172 742373747 /nfs/dbraw/zinc/37/37/47/742373747.db2.gz PWJXUVQWIBOKJM-FZMZJTMJSA-N 0 1 291.351 1.909 20 5 CDBDMN C[C@H](C[C@H](O)c1cccs1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839708327 739411769 /nfs/dbraw/zinc/41/17/69/739411769.db2.gz CSRPMCPYRZSRDV-KYXWUPHJSA-N 0 1 284.337 1.342 20 5 CDBDMN O=[N+]([O-])c1ncccc1C[N@@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000886241235 740234261 /nfs/dbraw/zinc/23/42/61/740234261.db2.gz RRASXEUCCMLGCN-GFCCVEGCSA-N 0 1 277.324 1.869 20 5 CDBDMN O=[N+]([O-])c1ncccc1CN1CCCC[C@@H]1C1(O)CC1 ZINC000886241235 740234271 /nfs/dbraw/zinc/23/42/71/740234271.db2.gz RRASXEUCCMLGCN-GFCCVEGCSA-N 0 1 277.324 1.869 20 5 CDBDMN CC(C)(C)OC(=O)N1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839714620 740388939 /nfs/dbraw/zinc/38/89/39/740388939.db2.gz LSCNQFKKYMYKJB-RKDXNWHRSA-N 0 1 285.300 1.036 20 5 CDBDMN Cc1cccc2c1CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC000839742282 740632220 /nfs/dbraw/zinc/63/22/20/740632220.db2.gz JCNRRJLIFFNJQD-DGCLKSJQSA-N 0 1 260.293 1.545 20 5 CDBDMN CCc1cc(CNC(=O)c2c(N)cccc2[N+](=O)[O-])n[nH]1 ZINC000779516322 740802826 /nfs/dbraw/zinc/80/28/26/740802826.db2.gz FNAJRXMUVGEUOR-UHFFFAOYSA-N 0 1 289.295 1.393 20 5 CDBDMN C[C@H]1CC(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H](C)O1 ZINC000839761651 741080826 /nfs/dbraw/zinc/08/08/26/741080826.db2.gz QIHMYXYLTXHALV-GAIPPQHRSA-N 0 1 270.329 1.362 20 5 CDBDMN CO[C@H](C)CC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837479430 741092100 /nfs/dbraw/zinc/09/21/00/741092100.db2.gz AOGBIDQYYJWTLP-MRVPVSSYSA-N 0 1 269.253 1.769 20 5 CDBDMN C[C@@H]1OCC[C@@H]1C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837611174 741386284 /nfs/dbraw/zinc/38/62/84/741386284.db2.gz DNSYYGQQZRPSFP-KWQFWETISA-N 0 1 281.264 1.769 20 5 CDBDMN O=C(N[C@H]1CCCOc2cc(F)ccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000839720469 741636648 /nfs/dbraw/zinc/63/66/48/741636648.db2.gz HROMUHDTZWWMIM-GRYCIOLGSA-N 0 1 294.282 1.821 20 5 CDBDMN CCn1nccc1CCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000788406271 741806295 /nfs/dbraw/zinc/80/62/95/741806295.db2.gz DIWBLSAVNRJZKX-UHFFFAOYSA-N 0 1 278.268 1.539 20 5 CDBDMN O=C(N[C@H]1CCCc2ccc(F)cc21)[C@@H]1CC1[N+](=O)[O-] ZINC000839746757 741880923 /nfs/dbraw/zinc/88/09/23/741880923.db2.gz AXIKEAFZMYBKPV-FRRDWIJNSA-N 0 1 278.283 1.985 20 5 CDBDMN Cn1ccc2cccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])c21 ZINC000839733991 742011355 /nfs/dbraw/zinc/01/13/55/742011355.db2.gz OBMSJGAXMBMKAE-MWLCHTKSSA-N 0 1 259.265 1.782 20 5 CDBDMN Cc1nc([N+](=O)[O-])c(-c2noc(CNCC3CC3)n2)n1C ZINC000843221252 742013353 /nfs/dbraw/zinc/01/33/53/742013353.db2.gz GIWURIDQNPHQKA-UHFFFAOYSA-N 0 1 292.299 1.186 20 5 CDBDMN O=C(NC[C@@H]1CCC[C@@H]1C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839806973 742016182 /nfs/dbraw/zinc/01/61/82/742016182.db2.gz AEEKQHQRDYXRLT-IRCOFANPSA-N 0 1 252.314 1.594 20 5 CDBDMN CN(Cc1cccnc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000886162256 742021745 /nfs/dbraw/zinc/02/17/45/742021745.db2.gz KWBZQTFFYQNXFA-HAQNSBGRSA-N 0 1 265.313 1.725 20 5 CDBDMN O=[N+]([O-])c1ccc(NCc2nnc[nH]2)c([N+](=O)[O-])c1 ZINC000037920037 742093207 /nfs/dbraw/zinc/09/32/07/742093207.db2.gz ILOWDPJRSYRCDQ-UHFFFAOYSA-N 0 1 264.201 1.233 20 5 CDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCc2ccccc2CC1 ZINC000839684886 742141873 /nfs/dbraw/zinc/14/18/73/742141873.db2.gz ZSAUGGGDAQGCMO-CHWSQXEVSA-N 0 1 260.293 1.279 20 5 CDBDMN C[C@H]1CN(C)CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000408114322 742358258 /nfs/dbraw/zinc/35/82/58/742358258.db2.gz XAPAOJYUYSWKPN-QMMMGPOBSA-N 0 1 281.341 1.444 20 5 CDBDMN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[N@H+]2CC[C@H]1C2 ZINC000597709096 742468430 /nfs/dbraw/zinc/46/84/30/742468430.db2.gz UHXQOQQYURIMQV-LBPRGKRZSA-N 0 1 293.298 1.193 20 5 CDBDMN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCN2CC[C@H]1C2 ZINC000597709096 742468433 /nfs/dbraw/zinc/46/84/33/742468433.db2.gz UHXQOQQYURIMQV-LBPRGKRZSA-N 0 1 293.298 1.193 20 5 CDBDMN CCN(CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000819916456 742720137 /nfs/dbraw/zinc/72/01/37/742720137.db2.gz NRNWPFBJFLQENC-UHFFFAOYSA-N 0 1 278.312 1.600 20 5 CDBDMN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N(C)Cc1nnc[nH]1 ZINC000843804517 742800312 /nfs/dbraw/zinc/80/03/12/742800312.db2.gz HJIYUGHVWVSMNJ-UHFFFAOYSA-N 0 1 293.258 1.433 20 5 CDBDMN O=C(OCCc1noc2ccccc12)[C@@H]1CC1[N+](=O)[O-] ZINC000847773640 742803660 /nfs/dbraw/zinc/80/36/60/742803660.db2.gz RSRFKJUEYVCCLJ-MWLCHTKSSA-N 0 1 276.248 1.579 20 5 CDBDMN COc1nc(Nc2cc([N+](=O)[O-])ccc2F)cc(=O)[nH]1 ZINC001175735705 913756470 /nfs/dbraw/zinc/75/64/70/913756470.db2.gz HTAOHEMTPWJVDV-UHFFFAOYSA-N 0 1 280.215 1.982 20 5 CDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC(c2ccc(F)cc2)C1 ZINC001141368235 936858244 /nfs/dbraw/zinc/85/82/44/936858244.db2.gz HTNAHSYVXTYEAL-VXGBXAGGSA-N 0 1 264.256 1.417 20 5 CDBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@H]3COC[C@@H]32)c1 ZINC000839192627 936908666 /nfs/dbraw/zinc/90/86/66/936908666.db2.gz LPPJXSXYVZAWGV-VHDGCEQUSA-N 0 1 292.335 1.739 20 5 CDBDMN Cc1cc(O)c([N+](=O)[O-])c(O[C@H](C[N+](=O)[O-])C2CC2)n1 ZINC001231265168 925689371 /nfs/dbraw/zinc/68/93/71/925689371.db2.gz ZLZZKQRUKCZDNT-SECBINFHSA-N 0 1 283.240 1.438 20 5 CDBDMN CN(Cc1nnc2ccccn21)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011835 927617085 /nfs/dbraw/zinc/61/70/85/927617085.db2.gz MRGSOZWMIOOUFA-NEPJUHHUSA-N 0 1 289.339 1.607 20 5 CDBDMN COc1cc(NC[C@@H]2COCCN2)cc([N+](=O)[O-])c1C ZINC001170042503 929120993 /nfs/dbraw/zinc/12/09/93/929120993.db2.gz AEWXMCLGXQUBTP-LLVKDONJSA-N 0 1 281.312 1.312 20 5 CDBDMN O=[N+]([O-])c1cc(Cl)ncc1NC[C@H]1COCCN1 ZINC001170043938 929131620 /nfs/dbraw/zinc/13/16/20/929131620.db2.gz YMEQDYLMRQPIOF-ZETCQYMHSA-N 0 1 272.692 1.044 20 5 CDBDMN CC[C@@](N)(CO)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC001159749342 930803287 /nfs/dbraw/zinc/80/32/87/930803287.db2.gz XOWWECWOZSGPRB-LBPRGKRZSA-N 0 1 277.284 1.007 20 5 CDBDMN Cc1cc(C(=O)NCCN2CC=CC2)ccc1[N+](=O)[O-] ZINC001322075049 931664352 /nfs/dbraw/zinc/66/43/52/931664352.db2.gz OSTYBXUJAKBTIA-UHFFFAOYSA-N 0 1 275.308 1.505 20 5 CDBDMN CC(C)c1nc(CNC(=O)CCC(C)(C)[N+](=O)[O-])n[nH]1 ZINC001159300824 938719283 /nfs/dbraw/zinc/71/92/83/938719283.db2.gz DXWRWLUZPUQOTI-UHFFFAOYSA-N 0 1 283.332 1.380 20 5 CDBDMN CC[C@@](N)(CO)Nc1ncc([N+](=O)[O-])c(C)c1C ZINC001159744118 938749248 /nfs/dbraw/zinc/74/92/48/938749248.db2.gz PBNRYFAYBVRBBP-NSHDSACASA-N 0 1 254.290 1.076 20 5 CDBDMN NCc1nccnc1Nc1ncnc2cc([N+](=O)[O-])ccc21 ZINC001160245849 938776865 /nfs/dbraw/zinc/77/68/65/938776865.db2.gz HVZLPYXSLXXVGR-UHFFFAOYSA-N 0 1 297.278 1.530 20 5 CDBDMN CN1CCC[C@@](C)(Nc2nc(Cl)ncc2[N+](=O)[O-])C1 ZINC001162330557 939025781 /nfs/dbraw/zinc/02/57/81/939025781.db2.gz HAAHRLQFPAJCMY-LLVKDONJSA-N 0 1 285.735 1.934 20 5 CDBDMN O=[N+]([O-])c1cccnc1NCc1noc2c1CNCC2 ZINC001163131379 939208658 /nfs/dbraw/zinc/20/86/58/939208658.db2.gz CISMZQCLOQOLLP-UHFFFAOYSA-N 0 1 275.268 1.236 20 5 CDBDMN Cc1nnc(CN)n1-c1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001163350716 939254703 /nfs/dbraw/zinc/25/47/03/939254703.db2.gz FIXAATORDZNEKH-UHFFFAOYSA-N 0 1 292.299 1.125 20 5 CDBDMN O=C1NC(=O)[C@H](Nc2cc([N+](=O)[O-])ccc2Cl)S1 ZINC001163665030 939301651 /nfs/dbraw/zinc/30/16/51/939301651.db2.gz BZPUBPKSTZMBDD-MRVPVSSYSA-N 0 1 287.684 1.969 20 5 CDBDMN COCCCN1CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC001165096667 939509444 /nfs/dbraw/zinc/50/94/44/939509444.db2.gz BQFPCGACIGKOPX-UHFFFAOYSA-N 0 1 294.355 1.457 20 5 CDBDMN CC1=C[C@@H](Oc2cc(O)ccc2[N+](=O)[O-])CC(=O)O1 ZINC001225488725 941868264 /nfs/dbraw/zinc/86/82/64/941868264.db2.gz JTRFIPLXAXDAFO-SECBINFHSA-N 0 1 265.221 1.899 20 5 CDBDMN CO[C@@H]1CCN(CCOc2ncc([N+](=O)[O-])cc2C)C1 ZINC001226764881 942064761 /nfs/dbraw/zinc/06/47/61/942064761.db2.gz NQYTWQPKQFDKNX-GFCCVEGCSA-N 0 1 281.312 1.398 20 5 CDBDMN CC[N@H+]1CC[C@H](Oc2nc(C3CC3)[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001228602848 942340205 /nfs/dbraw/zinc/34/02/05/942340205.db2.gz GEVGWTYATNYGGT-VIFPVBQESA-N 0 1 294.311 1.441 20 5 CDBDMN COC(=O)c1cc([N+](=O)[O-])c(OC[C@@H](C)OC)cc1O ZINC001228808455 942380072 /nfs/dbraw/zinc/38/00/72/942380072.db2.gz AWSGAEKURIEVKA-SSDOTTSWSA-N 0 1 285.252 1.501 20 5 CDBDMN CCOC(=O)C[C@@H](C)Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229375524 942460728 /nfs/dbraw/zinc/46/07/28/942460728.db2.gz GWEREPGIKNYAOF-ZCFIWIBFSA-N 0 1 285.256 1.119 20 5 CDBDMN CCC[C@@H](Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-])C(=O)OCC ZINC001229380781 942462517 /nfs/dbraw/zinc/46/25/17/942462517.db2.gz LDONBXDNVRBXQQ-MRVPVSSYSA-N 0 1 299.283 1.509 20 5 CDBDMN C[C@H]1COC[C@@H]1Oc1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC001230594399 942651861 /nfs/dbraw/zinc/65/18/61/942651861.db2.gz FOKONZQEVZCTKA-MADCSZMMSA-N 0 1 263.253 1.885 20 5 CDBDMN COc1cccc2c1OCC[C@H]2OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001262000290 946362859 /nfs/dbraw/zinc/36/28/59/946362859.db2.gz ROEBEHGCFKVRPL-GMTAPVOTSA-N 0 1 293.275 1.727 20 5 CDBDMN COC1CN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254476885 947450500 /nfs/dbraw/zinc/45/05/00/947450500.db2.gz WNYCNRZDIGEQKE-UHFFFAOYSA-N 0 1 291.351 1.894 20 5 CDBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H](F)[C@@H](O)C1 ZINC001254550179 947521700 /nfs/dbraw/zinc/52/17/00/947521700.db2.gz DZRWVSFZKDYIJP-QKCSRTOESA-N 0 1 282.315 1.931 20 5 CDBDMN CN(Cc1cnc[nH]1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001307921886 956451396 /nfs/dbraw/zinc/45/13/96/956451396.db2.gz HNGCEKXCCHZUTK-UHFFFAOYSA-N 0 1 286.295 1.826 20 5 CDBDMN C[C@H](C[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000042705846 957425888 /nfs/dbraw/zinc/42/58/88/957425888.db2.gz FZMKHSJCYACMBK-MRVPVSSYSA-N 0 1 270.260 1.886 20 5 CDBDMN Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC001594469205 959537508 /nfs/dbraw/zinc/53/75/08/959537508.db2.gz CWUAKEZJBLABTC-ONGXEEELSA-N 0 1 296.327 1.142 20 5 CDBDMN Cc1c(CC(=O)NCCN2CC=CC2)cccc1[N+](=O)[O-] ZINC001322852954 960344560 /nfs/dbraw/zinc/34/45/60/960344560.db2.gz GNXNXHUHHVMYGF-UHFFFAOYSA-N 0 1 289.335 1.434 20 5 CDBDMN Cc1cncc([N+](=O)[O-])c1N1CCN(C2CCC2)CC1 ZINC001341769940 963536643 /nfs/dbraw/zinc/53/66/43/963536643.db2.gz ODQAIDREILSPFQ-UHFFFAOYSA-N 0 1 276.340 1.973 20 5 CDBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@H+]2CC[C@H]1C2 ZINC001526834107 968608476 /nfs/dbraw/zinc/60/84/76/968608476.db2.gz ZKOGXUWNGZHQHT-LBPRGKRZSA-N 0 1 290.323 1.825 20 5 CDBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN2CC[C@H]1C2 ZINC001526834107 968608482 /nfs/dbraw/zinc/60/84/82/968608482.db2.gz ZKOGXUWNGZHQHT-LBPRGKRZSA-N 0 1 290.323 1.825 20 5 CDBDMN C[C@H]1C[N@H+](Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)[C@H]1C ZINC001594538292 986166732 /nfs/dbraw/zinc/16/67/32/986166732.db2.gz LLRNOVIFMICBGC-UWVGGRQHSA-N 0 1 294.307 1.898 20 5 CDBDMN C[C@H]1C[N@@H+](Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)[C@H]1C ZINC001594538292 986166735 /nfs/dbraw/zinc/16/67/35/986166735.db2.gz LLRNOVIFMICBGC-UWVGGRQHSA-N 0 1 294.307 1.898 20 5 CDBDMN CSCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611555815 346816040 /nfs/dbraw/zinc/81/60/40/346816040.db2.gz FJOOJOSVQMVUTI-UHFFFAOYSA-N 0 1 256.283 1.393 20 5 CDBDMN Cc1cc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)n[nH]1 ZINC000611556598 346816052 /nfs/dbraw/zinc/81/60/52/346816052.db2.gz QAQWDDVZCWYRNA-UHFFFAOYSA-N 0 1 276.252 1.262 20 5 CDBDMN Cc1cc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)[nH]n1 ZINC000611556598 346816057 /nfs/dbraw/zinc/81/60/57/346816057.db2.gz QAQWDDVZCWYRNA-UHFFFAOYSA-N 0 1 276.252 1.262 20 5 CDBDMN Cc1cc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)n[nH]1 ZINC000611556598 346816061 /nfs/dbraw/zinc/81/60/61/346816061.db2.gz QAQWDDVZCWYRNA-UHFFFAOYSA-N 0 1 276.252 1.262 20 5 CDBDMN CN1CC2(C1)CCN(C(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000618921302 349557385 /nfs/dbraw/zinc/55/73/85/349557385.db2.gz 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5 CDBDMN O=C(NCc1cnc[nH]1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000168645119 743204499 /nfs/dbraw/zinc/20/44/99/743204499.db2.gz VENGNNSTFDJRRL-UHFFFAOYSA-N 0 1 280.671 1.901 20 5 CDBDMN CC(C)CNC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867943021 743341437 /nfs/dbraw/zinc/34/14/37/743341437.db2.gz JVJMADVISWHEAD-CYBMUJFWSA-N 0 1 265.313 1.541 20 5 CDBDMN CCOC(=O)[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000932647756 743499154 /nfs/dbraw/zinc/49/91/54/743499154.db2.gz REDVOEVSOQIGMB-GFCCVEGCSA-N 0 1 278.308 1.980 20 5 CDBDMN Cc1ccc(OCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)c1 ZINC000839470261 745009467 /nfs/dbraw/zinc/00/94/67/745009467.db2.gz QYQUZQHEVHORTG-VXGBXAGGSA-N 0 1 278.308 1.464 20 5 CDBDMN C[C@H](NC(=O)NC[C@@H]1CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000922644850 745012959 /nfs/dbraw/zinc/01/29/59/745012959.db2.gz DBUMYILOHZTTFF-GWCFXTLKSA-N 0 1 292.339 1.659 20 5 CDBDMN C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839704794 745081734 /nfs/dbraw/zinc/08/17/34/745081734.db2.gz BNWPCXLIMYZMEQ-HUXSOILUSA-N 0 1 296.298 1.419 20 5 CDBDMN COCC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC000839773069 745115860 /nfs/dbraw/zinc/11/58/60/745115860.db2.gz AQAQHWDVMIMRMF-GHMZBOCLSA-N 0 1 270.329 1.365 20 5 CDBDMN COc1ccc(C(=O)OCc2c[nH]nn2)cc1[N+](=O)[O-] ZINC000821585631 745161467 /nfs/dbraw/zinc/16/14/67/745161467.db2.gz RXRVJAZCCYZVTA-UHFFFAOYSA-N 0 1 278.224 1.079 20 5 CDBDMN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1nnc[nH]1 ZINC000176749591 745243046 /nfs/dbraw/zinc/24/30/46/745243046.db2.gz MFRFTPGXGYAAFK-LURJTMIESA-N 0 1 295.686 1.857 20 5 CDBDMN O=[N+]([O-])c1ncccc1CN1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886816536 745251405 /nfs/dbraw/zinc/25/14/05/745251405.db2.gz VKDSAJRQFOYIMJ-AAEUAGOBSA-N 0 1 277.324 1.991 20 5 CDBDMN C[C@@H](CO)[C@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886277623 745389958 /nfs/dbraw/zinc/38/99/58/745389958.db2.gz WVYMVFYUKXENLI-WCQYABFASA-N 0 1 279.340 1.973 20 5 CDBDMN C[C@@H](CO)[C@H]1CCCCN1Cc1cccnc1[N+](=O)[O-] ZINC000886277623 745389964 /nfs/dbraw/zinc/38/99/64/745389964.db2.gz WVYMVFYUKXENLI-WCQYABFASA-N 0 1 279.340 1.973 20 5 CDBDMN O=C(OCCCc1cccc(F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000840669877 745464934 /nfs/dbraw/zinc/46/49/34/745464934.db2.gz MJAVNQWXCRQGGG-VXGBXAGGSA-N 0 1 267.256 1.967 20 5 CDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC[C@H](C2CCOCC2)C1 ZINC000882916850 745671593 /nfs/dbraw/zinc/67/15/93/745671593.db2.gz YEHRGXGIGDIZFU-BFHYXJOUSA-N 0 1 296.367 1.707 20 5 CDBDMN CSc1cccc(F)c1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839762630 745729533 /nfs/dbraw/zinc/72/95/33/745729533.db2.gz DQKWWDMINARSMS-GMSGAONNSA-N 0 1 284.312 1.829 20 5 CDBDMN Cc1cccc(OS(=O)(=O)c2c[nH]cn2)c1[N+](=O)[O-] ZINC000134204987 745778864 /nfs/dbraw/zinc/77/88/64/745778864.db2.gz JLBOBXWLWSMYHI-UHFFFAOYSA-N 0 1 283.265 1.394 20 5 CDBDMN C[C@H]1COC[C@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000922641956 745997279 /nfs/dbraw/zinc/99/72/79/745997279.db2.gz SJYREFVRRVCWBK-TVQRCGJNSA-N 0 1 294.307 1.586 20 5 CDBDMN CN(CCOCc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839702400 746214708 /nfs/dbraw/zinc/21/47/08/746214708.db2.gz ZANDAIXNMSQNBP-CHWSQXEVSA-N 0 1 278.308 1.327 20 5 CDBDMN CCOC(=O)[C@@H](CC)[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842342717 746344470 /nfs/dbraw/zinc/34/44/70/746344470.db2.gz OFHKDQGDHPWZAZ-AXTSPUMRSA-N 0 1 273.285 1.173 20 5 CDBDMN Cc1ccc(C(=O)COC(=O)[C@@H]2CC2[N+](=O)[O-])cc1C ZINC000840672836 746847051 /nfs/dbraw/zinc/84/70/51/746847051.db2.gz RTJHVRNUOVSZTM-VXGBXAGGSA-N 0 1 277.276 1.695 20 5 CDBDMN O=[N+]([O-])c1ccc(NC[C@H]2CN3CCC[C@H]3CO2)s1 ZINC000785798954 746882489 /nfs/dbraw/zinc/88/24/89/746882489.db2.gz ZPPKDRIHPJBBFK-UWVGGRQHSA-N 0 1 283.353 1.931 20 5 CDBDMN C[C@@H]1C[C@@H](C(=O)OCc2cc(O)ccc2[N+](=O)[O-])CO1 ZINC000837655306 746896390 /nfs/dbraw/zinc/89/63/90/746896390.db2.gz FOYMMNOFDMKDFQ-PSASIEDQSA-N 0 1 281.264 1.769 20 5 CDBDMN C[C@]1(COC(=O)[C@@H]2CC2[N+](=O)[O-])CC1(Cl)Cl ZINC000840674537 746897284 /nfs/dbraw/zinc/89/72/84/746897284.db2.gz MIOHYQZKTONHGU-ATRFCDNQSA-N 0 1 268.096 1.779 20 5 CDBDMN Cc1nn(CN2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000840090375 747137056 /nfs/dbraw/zinc/13/70/56/747137056.db2.gz QJAJYVWXJPFGRH-AOOOYVTPSA-N 0 1 267.333 1.082 20 5 CDBDMN Cc1nn(CN2C[C@@H](C)N(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000840090375 747137057 /nfs/dbraw/zinc/13/70/57/747137057.db2.gz QJAJYVWXJPFGRH-AOOOYVTPSA-N 0 1 267.333 1.082 20 5 CDBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCC[C@@H](C)C1 ZINC000839791033 747550490 /nfs/dbraw/zinc/55/04/90/747550490.db2.gz FLONMPNMQQQWSF-YBXAARCKSA-N 0 1 254.330 1.983 20 5 CDBDMN Cc1nccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1Cl ZINC000839721671 747550683 /nfs/dbraw/zinc/55/06/83/747550683.db2.gz NIZIMGSSYUAKDO-HTRCEHHLSA-N 0 1 255.661 1.069 20 5 CDBDMN C[C@H](CCO)N(CC[N+](=O)[O-])Cc1ccccc1 ZINC000930176369 747709730 /nfs/dbraw/zinc/70/97/30/747709730.db2.gz DYTRYVUNZXQRKB-GFCCVEGCSA-N 0 1 252.314 1.536 20 5 CDBDMN COc1ccc([C@@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1C ZINC000887319798 747858260 /nfs/dbraw/zinc/85/82/60/747858260.db2.gz JJOCYPNQUGEZOJ-YUSALJHKSA-N 0 1 278.308 1.846 20 5 CDBDMN CC(C)[C@H](CO)[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC000839783584 748018160 /nfs/dbraw/zinc/01/81/60/748018160.db2.gz RMWJTXDGCIHBNV-KXNHARMFSA-N 0 1 272.345 1.057 20 5 CDBDMN O=C([O-])C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000846267972 748132020 /nfs/dbraw/zinc/13/20/20/748132020.db2.gz DKZDXEXIWMJMAF-CYBMUJFWSA-N 0 1 294.307 1.425 20 5 CDBDMN Cc1ccc(C[C@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC000839688409 748179055 /nfs/dbraw/zinc/17/90/55/748179055.db2.gz QTDQOSLPKGELCQ-WHGOUJPWSA-N 0 1 268.338 1.769 20 5 CDBDMN Cc1ccccc1CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839781571 748435026 /nfs/dbraw/zinc/43/50/26/748435026.db2.gz UBELAQXBDRKUCT-CHWSQXEVSA-N 0 1 262.309 1.661 20 5 CDBDMN CC(C)(C)[C@H]1CCC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839891292 748648372 /nfs/dbraw/zinc/64/83/72/748648372.db2.gz MRGVMVUWKJAPAO-LMLFDSFASA-N 0 1 254.330 1.983 20 5 CDBDMN CCO[C@@H]1C[C@@H]1C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837447728 748724128 /nfs/dbraw/zinc/72/41/28/748724128.db2.gz SWPXTSJIRZEKBQ-CMPLNLGQSA-N 0 1 281.264 1.769 20 5 CDBDMN COC(=O)c1ccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])cc1Cl ZINC000841182896 748773616 /nfs/dbraw/zinc/77/36/16/748773616.db2.gz KUYJTJZMXAFIGQ-PSASIEDQSA-N 0 1 299.666 1.697 20 5 CDBDMN CC(C)(F)C(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001122562989 913832819 /nfs/dbraw/zinc/83/28/19/913832819.db2.gz OVPAOGFBOZPFED-UHFFFAOYSA-N 0 1 289.332 1.610 20 5 CDBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H]1COC[C@@H]1C ZINC000699805435 914291314 /nfs/dbraw/zinc/29/13/14/914291314.db2.gz KWXCZONBRPKAQD-CABZTGNLSA-N 0 1 266.297 1.728 20 5 CDBDMN O=[N+]([O-])c1ccc(O)cc1O[C@@H]1CCOC[C@@H]1F ZINC001225494150 902796078 /nfs/dbraw/zinc/79/60/78/902796078.db2.gz NVNVJYMBOXPVQR-WCBMZHEXSA-N 0 1 257.217 1.806 20 5 CDBDMN COCC[NH+]1CCC(Oc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC001229395020 908144131 /nfs/dbraw/zinc/14/41/31/908144131.db2.gz DQWJZLIMAIVCTC-UHFFFAOYSA-N 0 1 296.323 1.790 20 5 CDBDMN C[C@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])COc1ccccc1 ZINC000842318196 909706835 /nfs/dbraw/zinc/70/68/35/909706835.db2.gz DSLTVBQPFPPWOL-CYZMBNFOSA-N 0 1 279.292 1.910 20 5 CDBDMN NCc1nnnn1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901351 912039433 /nfs/dbraw/zinc/03/94/33/912039433.db2.gz MKGWYSGWVZZMKN-LLVKDONJSA-N 0 1 288.311 1.160 20 5 CDBDMN COc1cccc(Cl)c1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839734233 936922258 /nfs/dbraw/zinc/92/22/58/936922258.db2.gz QOOFMNHGVFNZOM-GMSGAONNSA-N 0 1 284.699 1.630 20 5 CDBDMN Cc1ccnc(CN[C@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001168964490 927586974 /nfs/dbraw/zinc/58/69/74/927586974.db2.gz UCXKRTAINJOOBI-MNOVXSKESA-N 0 1 250.302 1.320 20 5 CDBDMN Cc1cnc(CN[C@H]2CC[C@@H](C[N+](=O)[O-])C2)nc1 ZINC001168963955 927587446 /nfs/dbraw/zinc/58/74/46/927587446.db2.gz QVTNTPJXQHCFFD-MNOVXSKESA-N 0 1 250.302 1.320 20 5 CDBDMN CC(C)Oc1ccnc(CN[C@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001169006254 927608945 /nfs/dbraw/zinc/60/89/45/927608945.db2.gz GLCNOXZKCVDQAC-NEPJUHHUSA-N 0 1 294.355 1.799 20 5 CDBDMN CN(C)c1ccc(NC[C@@H]2COCCN2)c([N+](=O)[O-])c1 ZINC001170044063 929133158 /nfs/dbraw/zinc/13/31/58/929133158.db2.gz JVKGBLBCYPOOAL-SNVBAGLBSA-N 0 1 280.328 1.061 20 5 CDBDMN O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1cccc2c[nH]nc21 ZINC001155038572 937624601 /nfs/dbraw/zinc/62/46/01/937624601.db2.gz XXBYOBLNGUCXSV-UHFFFAOYSA-N 0 1 272.224 1.447 20 5 CDBDMN Cc1cccnc1-c1noc(-c2[nH]cnc2[N+](=O)[O-])n1 ZINC001212894163 934883766 /nfs/dbraw/zinc/88/37/66/934883766.db2.gz ROJAZDYJTGNRDW-UHFFFAOYSA-N 0 1 272.224 1.738 20 5 CDBDMN CN1CC(CNc2cc(Cl)cc([N+](=O)[O-])n2)C1 ZINC001159218480 938712534 /nfs/dbraw/zinc/71/25/34/938712534.db2.gz PQQFLUJPNAAFRM-UHFFFAOYSA-N 0 1 256.693 1.617 20 5 CDBDMN O=[N+]([O-])c1c(O)cc(C(F)(F)F)nc1O[C@H]1C[C@@H](O)C1 ZINC001218417855 941215054 /nfs/dbraw/zinc/21/50/54/941215054.db2.gz QKRGKLBSKAAGFX-SYDPRGILSA-N 0 1 294.185 1.616 20 5 CDBDMN O=c1nc2[nH]ccc2c(O[C@H](C[N+](=O)[O-])C2CC2)[nH]1 ZINC001227270945 942161355 /nfs/dbraw/zinc/16/13/55/942161355.db2.gz NMFIDRHELHDPBY-MRVPVSSYSA-N 0 1 264.241 1.098 20 5 CDBDMN O=c1[nH]c(C2CC2)nc(OC2CCOCC2)c1[N+](=O)[O-] ZINC001228605093 942340875 /nfs/dbraw/zinc/34/08/75/942340875.db2.gz BHRXUCJPFGNVIY-UHFFFAOYSA-N 0 1 281.268 1.526 20 5 CDBDMN Cc1nc(O[C@@H]2CCCCC2=O)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229378350 942460511 /nfs/dbraw/zinc/46/05/11/942460511.db2.gz KIPORFYEWMIQTM-MRVPVSSYSA-N 0 1 267.241 1.289 20 5 CDBDMN COC(=O)[C@@]1(C)C[C@@H](Oc2nc(C)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001229379612 942461924 /nfs/dbraw/zinc/46/19/24/942461924.db2.gz VOPDUVNNIJTKCL-OGXFKERWSA-N 0 1 297.267 1.119 20 5 CDBDMN COC(=O)C1(C)CC(Oc2nc(C)cc(O)c2[N+](=O)[O-])C1 ZINC001231264611 942839742 /nfs/dbraw/zinc/83/97/42/942839742.db2.gz SOMSMMOKMPLDMW-UHFFFAOYSA-N 0 1 296.279 1.724 20 5 CDBDMN Cc1ccnc([N+](=O)[O-])c1O[C@@H]1CN2CCC1CC2 ZINC001233556440 943616153 /nfs/dbraw/zinc/61/61/53/943616153.db2.gz MIVRPJZWDPMYSC-LLVKDONJSA-N 0 1 263.297 1.771 20 5 CDBDMN COc1ccc2nc(-c3c([N+](=O)[O-])ncn3C)[nH]c2c1 ZINC001251783683 950820938 /nfs/dbraw/zinc/82/09/38/950820938.db2.gz QPAJVEOSCKJKJG-UHFFFAOYSA-N 0 1 273.252 1.880 20 5 CDBDMN O=[N+]([O-])c1ncccc1CN1CC[C@@](O)(C2CC2)C1 ZINC001331703359 957217207 /nfs/dbraw/zinc/21/72/07/957217207.db2.gz RIYLQASPPRJKHM-ZDUSSCGKSA-N 0 1 263.297 1.337 20 5 CDBDMN CC1=NO[C@H](CNC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001335426288 959793416 /nfs/dbraw/zinc/79/34/16/959793416.db2.gz OOYHXQGHBVAUTM-STQMWFEESA-N 0 1 279.296 1.383 20 5 CDBDMN CC(C)N1CCN(c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001336471654 960359985 /nfs/dbraw/zinc/35/99/85/960359985.db2.gz OCBDBJUBFZFHFA-UHFFFAOYSA-N 0 1 265.317 1.102 20 5 CDBDMN O=C(CCc1cccc([N+](=O)[O-])c1)NCCN1CC=CC1 ZINC001340194240 962809479 /nfs/dbraw/zinc/80/94/79/962809479.db2.gz PFUMWAYXJWVWNP-UHFFFAOYSA-N 0 1 289.335 1.515 20 5 CDBDMN Cc1n[nH]c(C)c1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001347064552 965356294 /nfs/dbraw/zinc/35/62/94/965356294.db2.gz IMRIRMNYFBBESX-UHFFFAOYSA-N 0 1 290.279 1.570 20 5 CDBDMN C[C@](O)(CNCC[N+](=O)[O-])c1ccccc1Cl ZINC001353326310 967904572 /nfs/dbraw/zinc/90/45/72/967904572.db2.gz WRDFYVFIYBPOBO-NSHDSACASA-N 0 1 258.705 1.414 20 5 CDBDMN Cc1noc(C[N@H+]2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC001605449943 973535067 /nfs/dbraw/zinc/53/50/67/973535067.db2.gz QBALKSJQUQNNMW-VXNVDRBHSA-N 0 1 283.284 1.434 20 5 CDBDMN C[C@H](C[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001592583036 978494754 /nfs/dbraw/zinc/49/47/54/978494754.db2.gz JCMGRJDRZUDWOJ-BXKDBHETSA-N 0 1 282.296 1.281 20 5 CDBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001593717754 996237065 /nfs/dbraw/zinc/23/70/65/996237065.db2.gz RRECCWIHRYANSP-MXWKQRLJSA-N 0 1 294.307 1.423 20 5 CDBDMN Cc1[nH]ncc1CN(C)c1cc(C)c([N+](=O)[O-])cn1 ZINC000601182671 342488961 /nfs/dbraw/zinc/48/89/61/342488961.db2.gz XQVMVEGPLMXBSI-UHFFFAOYSA-N 0 1 261.285 1.966 20 5 CDBDMN O=[N+]([O-])c1cc(F)ccc1NCCN1CC[C@H](O)C1 ZINC000599201654 343980156 /nfs/dbraw/zinc/98/01/56/343980156.db2.gz HYOSRKXILCPKJV-JTQLQIEISA-N 0 1 269.276 1.212 20 5 CDBDMN CC(=O)N1CC(NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000572780443 361741651 /nfs/dbraw/zinc/74/16/51/361741651.db2.gz KRPSMLAWBAGBNH-UHFFFAOYSA-N 0 1 263.297 1.224 20 5 CDBDMN Cn1cc([N+](=O)[O-])cc1-c1nc([C@H]2CCCN2)no1 ZINC000592356702 342688070 /nfs/dbraw/zinc/68/80/70/342688070.db2.gz FVOVLFGFDNTITA-MRVPVSSYSA-N 0 1 263.257 1.408 20 5 CDBDMN Cc1ncc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)[nH]1 ZINC000339268074 282143813 /nfs/dbraw/zinc/14/38/13/282143813.db2.gz BYQJOCFZCOUDPM-UHFFFAOYSA-N 0 1 286.291 1.825 20 5 CDBDMN C[C@@H]1[C@H](C)N(C(=O)c2cc([N+](=O)[O-])cn2C)[C@@H](C)CN1C ZINC000593187562 342776231 /nfs/dbraw/zinc/77/62/31/342776231.db2.gz LYIVVDUVQDNPKB-AXFHLTTASA-N 0 1 294.355 1.486 20 5 CDBDMN C[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000594389350 342894231 /nfs/dbraw/zinc/89/42/31/342894231.db2.gz HMKHDQCSHLEGGT-ZETCQYMHSA-N 0 1 298.299 1.026 20 5 CDBDMN CC(C)(CO)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000119952688 342272152 /nfs/dbraw/zinc/27/21/52/342272152.db2.gz CYIQNJMXAYQGHS-UHFFFAOYSA-N 0 1 292.295 1.219 20 5 CDBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC/C=C\CO ZINC000595069772 343002244 /nfs/dbraw/zinc/00/22/44/343002244.db2.gz KUIGINFMCFAPKJ-UMBAGQNISA-N 0 1 266.297 1.803 20 5 CDBDMN COc1ccc([N+](=O)[O-])cc1CN(CCCO)C1CC1 ZINC000404338372 349771688 /nfs/dbraw/zinc/77/16/88/349771688.db2.gz QWENHBNGXZICEI-UHFFFAOYSA-N 0 1 280.324 1.950 20 5 CDBDMN CNC(=O)[C@H](C)CN(C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595343822 343043507 /nfs/dbraw/zinc/04/35/07/343043507.db2.gz FBOPODULXQFQDK-SECBINFHSA-N 0 1 283.303 1.548 20 5 CDBDMN Cc1noc(CN[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1[N+](=O)[O-] ZINC000595513591 343082584 /nfs/dbraw/zinc/08/25/84/343082584.db2.gz WZUIEVVOQKBTCB-FXAINCCUSA-N 0 1 281.312 1.794 20 5 CDBDMN CCN1CC[C@H](N(C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000595485956 343074916 /nfs/dbraw/zinc/07/49/16/343074916.db2.gz ZVYNIQJSQDUKKS-AWEZNQCLSA-N 0 1 291.351 1.690 20 5 CDBDMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2Cc1onc(C)c1[N+](=O)[O-] ZINC000595489435 343075703 /nfs/dbraw/zinc/07/57/03/343075703.db2.gz ASEAMAIJUQSUJH-HAOVPJPFSA-N 0 1 293.323 1.746 20 5 CDBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000595634146 343122525 /nfs/dbraw/zinc/12/25/25/343122525.db2.gz BYRCTJGHUUARCE-NTZNESFSSA-N 0 1 292.335 1.893 20 5 CDBDMN O=[N+]([O-])c1ccc(CNCCOCCF)c(F)c1 ZINC000596057984 343222685 /nfs/dbraw/zinc/22/26/85/343222685.db2.gz ZUOPPGRIBSKESN-UHFFFAOYSA-N 0 1 260.240 1.810 20 5 CDBDMN O=[N+]([O-])c1cncc(Cl)c1N1CC[C@H](c2nc[nH]n2)C1 ZINC000596281945 343287302 /nfs/dbraw/zinc/28/73/02/343287302.db2.gz RCNKDEPRMKLNDU-ZETCQYMHSA-N 0 1 294.702 1.755 20 5 CDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H](F)C1 ZINC000573811736 362180204 /nfs/dbraw/zinc/18/02/04/362180204.db2.gz YCQPLBKMTXGDLT-VIFPVBQESA-N 0 1 268.244 1.875 20 5 CDBDMN COc1ccc(CN2CC[C@H](CC(N)=O)C2)cc1[N+](=O)[O-] ZINC000588975857 342446615 /nfs/dbraw/zinc/44/66/15/342446615.db2.gz KTZZTSWQBJXKIL-LLVKDONJSA-N 0 1 293.323 1.301 20 5 CDBDMN CCOc1cc(C[N@H+]2CC[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000565896918 365746426 /nfs/dbraw/zinc/74/64/26/365746426.db2.gz ANVDBJFZMMSMIW-NSHDSACASA-N 0 1 294.307 1.900 20 5 CDBDMN Cc1[nH]nc(C(=O)N(C)C[C@H]2CC2(C)C)c1[N+](=O)[O-] ZINC000598555594 343824330 /nfs/dbraw/zinc/82/43/30/343824330.db2.gz CIQRAGLFPVBSRR-MRVPVSSYSA-N 0 1 266.301 1.744 20 5 CDBDMN Cc1c(C(=O)N2CCNC[C@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000602527068 344454310 /nfs/dbraw/zinc/45/43/10/344454310.db2.gz JKUHKWZCJFWMNI-AWEZNQCLSA-N 0 1 291.351 1.973 20 5 CDBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCSC[C@@H]1C ZINC000602780734 344596540 /nfs/dbraw/zinc/59/65/40/344596540.db2.gz QYKKCCOYZDGICL-VIFPVBQESA-N 0 1 270.358 1.537 20 5 CDBDMN CC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC000609707943 345991552 /nfs/dbraw/zinc/99/15/52/345991552.db2.gz PZHSNEALUCWQPW-SECBINFHSA-N 0 1 252.270 1.890 20 5 CDBDMN O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3CCOC3)CC2)s1 ZINC000610541803 346307925 /nfs/dbraw/zinc/30/79/25/346307925.db2.gz ZCNLSDISCFZSLW-NSHDSACASA-N 0 1 297.380 1.815 20 5 CDBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)C ZINC000610551002 346310450 /nfs/dbraw/zinc/31/04/50/346310450.db2.gz LZXGHHRTTISTNC-VIFPVBQESA-N 0 1 251.286 1.792 20 5 CDBDMN CC[C@H](C)N1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000454318291 252342031 /nfs/dbraw/zinc/34/20/31/252342031.db2.gz AMJDMYKWIHVJHE-JTQLQIEISA-N 0 1 280.328 1.479 20 5 CDBDMN CC(C)[C@@H](CO)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000156357315 351476332 /nfs/dbraw/zinc/47/63/32/351476332.db2.gz WODOJVMYDIEHGK-LLVKDONJSA-N 0 1 279.296 1.843 20 5 CDBDMN CC(C)c1nc(Cn2cc([N+](=O)[O-])ccc2=O)n[nH]1 ZINC000291767262 198085734 /nfs/dbraw/zinc/08/57/34/198085734.db2.gz VJVZIXLQDZKXBS-UHFFFAOYSA-N 0 1 263.257 1.046 20 5 CDBDMN CCOC(=O)[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H](C)CC ZINC000123085138 187070349 /nfs/dbraw/zinc/07/03/49/187070349.db2.gz DLBLSOSKPUXQEC-CBAPKCEASA-N 0 1 298.299 1.026 20 5 CDBDMN CO[C@H]1CCCC[C@@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000361762107 358475120 /nfs/dbraw/zinc/47/51/20/358475120.db2.gz BRHXTNARPHHNGP-ONGXEEELSA-N 0 1 268.317 1.376 20 5 CDBDMN C[C@H](N[C@H]1CCCCNC1=O)c1ccccc1[N+](=O)[O-] ZINC000036977108 363304911 /nfs/dbraw/zinc/30/49/11/363304911.db2.gz AMYJIYQGIMKNHQ-JQWIXIFHSA-N 0 1 277.324 1.914 20 5 CDBDMN O=C(NCc1nnc[nH]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000037920649 356263848 /nfs/dbraw/zinc/26/38/48/356263848.db2.gz FVMFYPKNIXJXEA-UHFFFAOYSA-N 0 1 281.659 1.296 20 5 CDBDMN CCN(C[C@@H](C)O)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000341303872 357223870 /nfs/dbraw/zinc/22/38/70/357223870.db2.gz NHDRZYAUIRTHJB-MRVPVSSYSA-N 0 1 292.295 1.314 20 5 CDBDMN O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1n[nH]cc1[N+](=O)[O-] ZINC000159064193 357226165 /nfs/dbraw/zinc/22/61/65/357226165.db2.gz LUCOYCCFCGAIJM-LOWVWBTDSA-N 0 1 298.302 1.634 20 5 CDBDMN CCc1[nH]nc(C(=O)N2CCS[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000185688255 357567014 /nfs/dbraw/zinc/56/70/14/357567014.db2.gz YYKKRJILCJAFNB-YUMQZZPRSA-N 0 1 298.368 1.846 20 5 CDBDMN CN(C)CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000135273550 358138457 /nfs/dbraw/zinc/13/84/57/358138457.db2.gz SWWCGCAPGFPCSR-UHFFFAOYSA-N 0 1 277.324 1.647 20 5 CDBDMN Cc1cnc(N2CCc3cn[nH]c3C2)c([N+](=O)[O-])c1 ZINC000611006373 358301428 /nfs/dbraw/zinc/30/14/28/358301428.db2.gz HDJOMMUWSNOFNY-UHFFFAOYSA-N 0 1 259.269 1.584 20 5 CDBDMN C[C@@H]1CCNC(=O)[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000193577652 358305413 /nfs/dbraw/zinc/30/54/13/358305413.db2.gz PCEQAXLTXMUKMX-SKDRFNHKSA-N 0 1 263.297 1.209 20 5 CDBDMN COc1ccc(CN2CCc3cn[nH]c3C2)cc1[N+](=O)[O-] ZINC000611008798 358318019 /nfs/dbraw/zinc/31/80/19/358318019.db2.gz KYNWEMGRFQYMDZ-UHFFFAOYSA-N 0 1 288.307 1.885 20 5 CDBDMN Cc1cc([N+](=O)[O-])cnc1NCc1n[nH]c(C2CC2)n1 ZINC000294862951 199219368 /nfs/dbraw/zinc/21/93/68/199219368.db2.gz CIHZGUBVANMBAH-UHFFFAOYSA-N 0 1 274.284 1.906 20 5 CDBDMN O=[N+]([O-])c1ccccc1CNCc1n[nH]c(C2CC2)n1 ZINC000294848120 199212234 /nfs/dbraw/zinc/21/22/34/199212234.db2.gz RVGBPCRAUWEBLQ-UHFFFAOYSA-N 0 1 273.296 1.880 20 5 CDBDMN CSC1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCC1 ZINC000194635186 358385295 /nfs/dbraw/zinc/38/52/95/358385295.db2.gz YYSMMSLDIGSHQJ-UHFFFAOYSA-N 0 1 270.314 1.333 20 5 CDBDMN COCC1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC000264782024 358647862 /nfs/dbraw/zinc/64/78/62/358647862.db2.gz IOLSIEJXDGFHID-UHFFFAOYSA-N 0 1 282.300 1.125 20 5 CDBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H](O)CC2)c1[N+](=O)[O-] ZINC000294933938 199258364 /nfs/dbraw/zinc/25/83/64/199258364.db2.gz RGVPNVRVLSNFEF-VIFPVBQESA-N 0 1 296.327 1.428 20 5 CDBDMN Cn1cccc1[C@H]1CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000176195978 358736705 /nfs/dbraw/zinc/73/67/05/358736705.db2.gz IMFQEDUBSICBQS-CYBMUJFWSA-N 0 1 289.339 1.967 20 5 CDBDMN CC(C)(CC(N)=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000186247386 358794689 /nfs/dbraw/zinc/79/46/89/358794689.db2.gz NRUQAERSXJAAQW-UHFFFAOYSA-N 0 1 285.731 1.992 20 5 CDBDMN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(O)c(Cl)c1 ZINC000436630283 358915292 /nfs/dbraw/zinc/91/52/92/358915292.db2.gz MFTXZDZHBIBDRJ-UHFFFAOYSA-N 0 1 296.670 1.940 20 5 CDBDMN CO[C@@H]1COC[C@H]1N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000450690248 358982029 /nfs/dbraw/zinc/98/20/29/358982029.db2.gz VHNIEPSHUVLNSO-IRUJWGPZSA-N 0 1 266.297 1.659 20 5 CDBDMN O=[N+]([O-])c1ccc(NCCN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000450797211 359005893 /nfs/dbraw/zinc/00/58/93/359005893.db2.gz WQQAJVICOCXMNI-OKILXGFUSA-N 0 1 277.324 1.870 20 5 CDBDMN C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[C@@H]1O ZINC000159447504 359301374 /nfs/dbraw/zinc/30/13/74/359301374.db2.gz WOHAONYOXBLNIH-MFKMUULPSA-N 0 1 250.298 1.798 20 5 CDBDMN C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339057183 359283371 /nfs/dbraw/zinc/28/33/71/359283371.db2.gz RMJPZGLTCKNYFS-KCJUWKMLSA-N 0 1 252.270 1.256 20 5 CDBDMN CCc1nnc(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)[nH]1 ZINC000479184915 359397330 /nfs/dbraw/zinc/39/73/30/359397330.db2.gz CJGNXSJQISKWFW-UHFFFAOYSA-N 0 1 293.258 1.596 20 5 CDBDMN CCc1n[nH]c(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)n1 ZINC000479184915 359397334 /nfs/dbraw/zinc/39/73/34/359397334.db2.gz CJGNXSJQISKWFW-UHFFFAOYSA-N 0 1 293.258 1.596 20 5 CDBDMN CN(CCCOc1ccc([N+](=O)[O-])cc1)Cc1nnc[nH]1 ZINC000177147224 189032100 /nfs/dbraw/zinc/03/21/00/189032100.db2.gz BZBWZVJHNJWBPY-UHFFFAOYSA-N 0 1 291.311 1.614 20 5 CDBDMN C[C@@H]1CC[N@@H+](CCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000548124770 360277179 /nfs/dbraw/zinc/27/71/79/360277179.db2.gz RSKDHAHWVKROMB-SNVBAGLBSA-N 0 1 293.323 1.372 20 5 CDBDMN Cc1nc(N2C[C@@H]3CCCCN3C[C@H]2C)ncc1[N+](=O)[O-] ZINC000572352697 360415543 /nfs/dbraw/zinc/41/55/43/360415543.db2.gz WITNJYRRUNPDFO-PWSUYJOCSA-N 0 1 291.355 1.756 20 5 CDBDMN O=C(NCCOC1CCCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000161709879 360768466 /nfs/dbraw/zinc/76/84/66/360768466.db2.gz QOKIUMDVLMNGSK-UHFFFAOYSA-N 0 1 296.327 1.787 20 5 CDBDMN CCc1[nH]nc(C(=O)N(C)C[C@H]2CCC[C@H]2O)c1[N+](=O)[O-] ZINC000179102046 189169696 /nfs/dbraw/zinc/16/96/96/189169696.db2.gz FJRYYGATIVADSM-PSASIEDQSA-N 0 1 296.327 1.113 20 5 CDBDMN COC[C@@H](CO)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000234900728 360969511 /nfs/dbraw/zinc/96/95/11/360969511.db2.gz PYFNKJLTQWOYHY-MWLCHTKSSA-N 0 1 254.286 1.253 20 5 CDBDMN Cc1ccc(NC(=O)N[C@H](C)c2nnc[nH]2)cc1[N+](=O)[O-] ZINC000180587499 189263395 /nfs/dbraw/zinc/26/33/95/189263395.db2.gz MIUORZAALVBMBH-MRVPVSSYSA-N 0 1 290.283 1.904 20 5 CDBDMN C[C@H](CCCO)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000268275397 364605874 /nfs/dbraw/zinc/60/58/74/364605874.db2.gz UMJCWZRJFULXBQ-MRVPVSSYSA-N 0 1 292.295 1.362 20 5 CDBDMN COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H](C)C(=O)[O-] ZINC000042704864 364613360 /nfs/dbraw/zinc/61/33/60/364613360.db2.gz BXVSAWSYRZUYIA-SECBINFHSA-N 0 1 282.296 1.756 20 5 CDBDMN CN(CCOc1cccc([N+](=O)[O-])c1)Cc1nnc[nH]1 ZINC000174811681 364571008 /nfs/dbraw/zinc/57/10/08/364571008.db2.gz BBDPEWMTSSPPSP-UHFFFAOYSA-N 0 1 277.284 1.224 20 5 CDBDMN CC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccncc1 ZINC000164057460 365462204 /nfs/dbraw/zinc/46/22/04/365462204.db2.gz DDXUCSJTTWHLAQ-VIFPVBQESA-N 0 1 275.268 1.594 20 5 CDBDMN CC(C)C[C@@H](CCO)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270699411 366922363 /nfs/dbraw/zinc/92/23/63/366922363.db2.gz BMIAPSFQSHULFE-SECBINFHSA-N 0 1 284.316 1.092 20 5 CDBDMN CC(C)C[C@@H](N)c1noc(-c2c([N+](=O)[O-])cnn2C)n1 ZINC000414614144 241278457 /nfs/dbraw/zinc/27/84/57/241278457.db2.gz GPRDTODAWABWFT-SSDOTTSWSA-N 0 1 280.288 1.424 20 5 CDBDMN CCCCOCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272466999 367738892 /nfs/dbraw/zinc/73/88/92/367738892.db2.gz DAGXYKRQMTWQDB-UHFFFAOYSA-N 0 1 282.296 1.847 20 5 CDBDMN COCC[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccco1 ZINC000272526720 367747869 /nfs/dbraw/zinc/74/78/69/367747869.db2.gz AQXHOLQZEKAZGW-MRVPVSSYSA-N 0 1 294.267 1.419 20 5 CDBDMN C[N@@H+]1CC=C(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000272592862 367779999 /nfs/dbraw/zinc/77/99/99/367779999.db2.gz SHAYXXASDNQNCF-UHFFFAOYSA-N 0 1 291.307 1.292 20 5 CDBDMN C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1C ZINC000330603218 203025735 /nfs/dbraw/zinc/02/57/35/203025735.db2.gz HVHPOLJJVQVSGL-NEPJUHHUSA-N 0 1 291.351 1.688 20 5 CDBDMN C[C@H]1CN(C)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000330673614 203102778 /nfs/dbraw/zinc/10/27/78/203102778.db2.gz PNYRSFKRIPQFCV-LBPRGKRZSA-N 0 1 279.340 1.610 20 5 CDBDMN COCCN1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000276256476 193260253 /nfs/dbraw/zinc/26/02/53/193260253.db2.gz AKOUOBFVOFPTRK-UHFFFAOYSA-N 0 1 297.330 1.498 20 5 CDBDMN CCC[C@H](O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000295417266 370200860 /nfs/dbraw/zinc/20/08/60/370200860.db2.gz DRFRXFXWKNFVPP-HNNXBMFYSA-N 0 1 293.367 1.878 20 5 CDBDMN C[C@@H](N[C@H]1CCCCNC1=O)c1ccccc1[N+](=O)[O-] ZINC000036977110 296162112 /nfs/dbraw/zinc/16/21/12/296162112.db2.gz AMYJIYQGIMKNHQ-PWSUYJOCSA-N 0 1 277.324 1.914 20 5 CDBDMN Cc1[nH]nc(C(=O)N(C)C2CC(C)(C)C2)c1[N+](=O)[O-] ZINC000331805886 204183399 /nfs/dbraw/zinc/18/33/99/204183399.db2.gz SZEUCRVIGTWQNB-UHFFFAOYSA-N 0 1 266.301 1.887 20 5 CDBDMN CC(C)c1[nH]nc(C(=O)N2CCC(CO)CC2)c1[N+](=O)[O-] ZINC000269617076 373161885 /nfs/dbraw/zinc/16/18/85/373161885.db2.gz WZXQTYUGUOZQMD-UHFFFAOYSA-N 0 1 296.327 1.286 20 5 CDBDMN C[C@H](NC/C=C/c1ccccc1[N+](=O)[O-])C(=O)N(C)C ZINC000191734089 373530926 /nfs/dbraw/zinc/53/09/26/373530926.db2.gz ICHXMHRZSGAFIB-IOCXFXADSA-N 0 1 277.324 1.674 20 5 CDBDMN Cc1nc(NCCCc2nc[nH]n2)ccc1[N+](=O)[O-] ZINC000161558929 374236335 /nfs/dbraw/zinc/23/63/35/374236335.db2.gz HWZMHWUMCWMQAS-UHFFFAOYSA-N 0 1 262.273 1.461 20 5 CDBDMN O=[N+]([O-])c1ccc(CN2CCc3n[nH]nc3C2)c(F)c1 ZINC000429290803 374579285 /nfs/dbraw/zinc/57/92/85/374579285.db2.gz SFIQQQKBZPWNSI-UHFFFAOYSA-N 0 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CO[C@@H]1COC[C@@H]1N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000414186488 391635108 /nfs/dbraw/zinc/63/51/08/391635108.db2.gz PIVVEKFEYKDDNF-VHRBIJSZSA-N 0 1 280.324 1.968 20 5 CDBDMN Cc1sc(C(=O)N2CCN[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000237639956 131049807 /nfs/dbraw/zinc/04/98/07/131049807.db2.gz GNMGMGCSTDCWHY-ZETCQYMHSA-N 0 1 269.326 1.399 20 5 CDBDMN CO[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@H](C(=O)[O-])C1 ZINC000595279965 392553584 /nfs/dbraw/zinc/55/35/84/392553584.db2.gz MMBJQZAQBVAAIO-OLZOCXBDSA-N 0 1 294.307 1.659 20 5 CDBDMN C[C@H](NC(=O)N1CCNC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000418228897 392879145 /nfs/dbraw/zinc/87/91/45/392879145.db2.gz FOBARHACFNNSAJ-MNOVXSKESA-N 0 1 292.339 1.659 20 5 CDBDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CC1 ZINC000269128694 132116835 /nfs/dbraw/zinc/11/68/35/132116835.db2.gz KHKDLTIHYDCZTE-ZETCQYMHSA-N 0 1 250.254 1.829 20 5 CDBDMN O=C(NC1CCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269153351 132121887 /nfs/dbraw/zinc/12/18/87/132121887.db2.gz TUXDDVODUNFOLR-UHFFFAOYSA-N 0 1 250.254 1.973 20 5 CDBDMN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H](c2nc[nH]n2)C1 ZINC000425280051 393015148 /nfs/dbraw/zinc/01/51/48/393015148.db2.gz GTLRFZBHSZDHCV-VIFPVBQESA-N 0 1 291.315 1.232 20 5 CDBDMN CC[C@@H]1C[C@H](C)CN1Cc1c([N+](=O)[O-])ncn1C ZINC000332614983 393155714 /nfs/dbraw/zinc/15/57/14/393155714.db2.gz DXXVZJQMPPSBIM-VHSXEESVSA-N 0 1 252.318 1.949 20 5 CDBDMN CN(C)CC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000193553423 393373547 /nfs/dbraw/zinc/37/35/47/393373547.db2.gz IFFTUCKJMCLKES-UHFFFAOYSA-N 0 1 251.286 1.115 20 5 CDBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000186580289 140064699 /nfs/dbraw/zinc/06/46/99/140064699.db2.gz BLDWJIAKMZLWMN-WCBMZHEXSA-N 0 1 296.327 1.113 20 5 CDBDMN Cc1nc(CCNc2nc3ccccc3cc2[N+](=O)[O-])n[nH]1 ZINC000352359099 155134453 /nfs/dbraw/zinc/13/44/53/155134453.db2.gz BYDPVHKNFYUKSZ-UHFFFAOYSA-N 0 1 298.306 1.646 20 5 CDBDMN Cc1nnc(CCNc2nc3ccccc3cc2[N+](=O)[O-])[nH]1 ZINC000352359099 155134456 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CC(C)c1[nH]nc(C(=O)N(C)[C@@H]2CCCOC2)c1[N+](=O)[O-] ZINC000341144756 276040504 /nfs/dbraw/zinc/04/05/04/276040504.db2.gz KANZWEQNJOTJPC-SECBINFHSA-N 0 1 296.327 1.692 20 5 CDBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H](C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000269370146 278001066 /nfs/dbraw/zinc/00/10/66/278001066.db2.gz LWZWRTQDJDELGQ-RKDXNWHRSA-N 0 1 296.327 1.691 20 5 CDBDMN C[C@@H]1CNCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000054370213 278837638 /nfs/dbraw/zinc/83/76/38/278837638.db2.gz BHJSFRSHYGRDRD-SSDOTTSWSA-N 0 1 255.299 1.090 20 5 CDBDMN CCN(CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCNC1=O ZINC000282210475 279210996 /nfs/dbraw/zinc/21/09/96/279210996.db2.gz DHMXAZHBZDMDAE-CYBMUJFWSA-N 0 1 293.323 1.184 20 5 CDBDMN Cc1c(C(=O)N2CCNC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000054369800 280207747 /nfs/dbraw/zinc/20/77/47/280207747.db2.gz DTLORXUCOINBOG-VIFPVBQESA-N 0 1 263.297 1.337 20 5 CDBDMN CCCC[N@@H+](C)CCNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000563206796 293310904 /nfs/dbraw/zinc/31/09/04/293310904.db2.gz NSIPVDWJQZWMGM-UHFFFAOYSA-N 0 1 296.327 1.832 20 5 CDBDMN NC(=O)[C@H]1COCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000331183318 295020791 /nfs/dbraw/zinc/02/07/91/295020791.db2.gz MKENGVDFBTYBFB-LLVKDONJSA-N 0 1 281.268 1.036 20 5 CDBDMN CNC(=O)[C@H](C)N=c1[nH]c2ccccc2cc1[N+](=O)[O-] ZINC000488750029 482724849 /nfs/dbraw/zinc/72/48/49/482724849.db2.gz SXOZVXFATVKHLL-QMMMGPOBSA-N 0 1 274.280 1.111 20 5 CDBDMN C[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H](C)N1 ZINC000153603189 534306238 /nfs/dbraw/zinc/30/62/38/534306238.db2.gz GOLMLPHHWGRKOG-PHIMTYICSA-N 0 1 293.323 1.182 20 5 CDBDMN CC(C)C[C@H](N)c1noc(Cn2ccc([N+](=O)[O-])n2)n1 ZINC000339396703 519377944 /nfs/dbraw/zinc/37/79/44/519377944.db2.gz QAPBGAYBMXBRCD-QMMMGPOBSA-N 0 1 280.288 1.269 20 5 CDBDMN Cc1csc([C@@H](C)CNC(=O)c2n[nH]cc2[N+](=O)[O-])n1 ZINC000184718034 526405336 /nfs/dbraw/zinc/40/53/36/526405336.db2.gz OJUJIYIIFCJQPA-LURJTMIESA-N 0 1 295.324 1.616 20 5 CDBDMN Cc1[nH+]ccn1CCOc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000049330618 527433112 /nfs/dbraw/zinc/43/31/12/527433112.db2.gz MVHLQNSXWSTRKU-UHFFFAOYSA-N 0 1 291.263 1.877 20 5 CDBDMN O=C([O-])C[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000061145842 527608933 /nfs/dbraw/zinc/60/89/33/527608933.db2.gz UONZLBWTYZOIBX-UHFFFAOYSA-N 0 1 279.296 1.192 20 5 CDBDMN CCc1[nH]nc(C(=O)N2CCSC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000191222148 536001571 /nfs/dbraw/zinc/00/15/71/536001571.db2.gz GPTCFMPTPDJVFX-QMMMGPOBSA-N 0 1 298.368 1.705 20 5 CDBDMN COc1cc(C(=O)N2CCNC[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000422750072 536888442 /nfs/dbraw/zinc/88/84/42/536888442.db2.gz CAIATINLUOHDMT-VIFPVBQESA-N 0 1 293.323 1.346 20 5 CDBDMN Cn1cc(C[N@H+]2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)c([N+](=O)[O-])n1 ZINC001600952955 1174677446 /nfs/dbraw/zinc/67/74/46/1174677446.db2.gz JVGJFQJDCLEVJJ-MFKMUULPSA-N 0 1 294.311 1.158 20 5 CDBDMN C[C@@H](COc1ccccc1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000763949218 576767744 /nfs/dbraw/zinc/76/77/44/576767744.db2.gz OPJPTXOPPDBJRG-VIFPVBQESA-N 0 1 290.279 1.515 20 5 CDBDMN Cc1ccc(C(=O)OCCc2c[nH]nn2)cc1[N+](=O)[O-] ZINC000750720281 577002004 /nfs/dbraw/zinc/00/20/04/577002004.db2.gz GTPINYMPMIZJPK-UHFFFAOYSA-N 0 1 276.252 1.421 20 5 CDBDMN Cc1ccc(C(=O)OCCc2cnn[nH]2)cc1[N+](=O)[O-] ZINC000750720281 577002007 /nfs/dbraw/zinc/00/20/07/577002007.db2.gz GTPINYMPMIZJPK-UHFFFAOYSA-N 0 1 276.252 1.421 20 5 CDBDMN O=C([O-])[C@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000062134568 597529587 /nfs/dbraw/zinc/52/95/87/597529587.db2.gz BMLVVYXVJQPGBA-QMMMGPOBSA-N 0 1 268.244 1.640 20 5 CDBDMN C[C@@]1(C(=O)[O-])CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000833553253 605005496 /nfs/dbraw/zinc/00/54/96/605005496.db2.gz AKLODUHOUOKJIL-TZMCWYRMSA-N 0 1 294.307 1.425 20 5 CDBDMN C[C@]1(NC(=O)c2ccc([N+](=O)[O-])o2)CN2CCC1CC2 ZINC000892803006 617763373 /nfs/dbraw/zinc/76/33/73/617763373.db2.gz XLOFUMZJRGZOJA-ZDUSSCGKSA-N 0 1 279.296 1.402 20 5 CDBDMN CN1C[C@H]2[C@@H](CCN2c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000893933807 618193017 /nfs/dbraw/zinc/19/30/17/618193017.db2.gz CVAVWKJTXSUAPL-KWQFWETISA-N 0 1 282.731 1.784 20 5 CDBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1nc(C2CC2)no1 ZINC000840672404 618502616 /nfs/dbraw/zinc/50/26/16/618502616.db2.gz IZISLBVSNPAAMI-UIISKDMLSA-N 0 1 267.241 1.216 20 5 CDBDMN O=C(OC[C@@H]1CCC2(CCCC2)O1)[C@@H]1CC1[N+](=O)[O-] ZINC000840673735 618787934 /nfs/dbraw/zinc/78/79/34/618787934.db2.gz ZYXYUJQRHSXWNJ-HBNTYKKESA-N 0 1 269.297 1.687 20 5 CDBDMN O=[N+]([O-])c1ccc(Cl)c(CNC[C@H]2COCO2)c1 ZINC000894871718 619112465 /nfs/dbraw/zinc/11/24/65/619112465.db2.gz VXBBGEZWGHLIGD-JTQLQIEISA-N 0 1 272.688 1.711 20 5 CDBDMN O=C1NCCN1CCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000896054513 619962268 /nfs/dbraw/zinc/96/22/68/619962268.db2.gz VUTTXOBVOLDNLB-UHFFFAOYSA-N 0 1 298.730 1.363 20 5 CDBDMN C[C@@H](C(=O)[O-])[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CCC1 ZINC000903607439 626033220 /nfs/dbraw/zinc/03/32/20/626033220.db2.gz BKDFRRVHAIOMJX-VIFPVBQESA-N 0 1 279.296 1.817 20 5 CDBDMN O=[N+]([O-])CCNCCOc1ccc(F)c(Cl)c1 ZINC000905273951 626729567 /nfs/dbraw/zinc/72/95/67/626729567.db2.gz POZFVMLUJIXSST-UHFFFAOYSA-N 0 1 262.668 1.724 20 5 CDBDMN O=C(OCC/C=C/Br)[C@@H]1CC1[N+](=O)[O-] ZINC000842372165 630638360 /nfs/dbraw/zinc/63/83/60/630638360.db2.gz NEJRXEMODSEEOH-IOMBPPLMSA-N 0 1 264.075 1.494 20 5 CDBDMN CN1CC(CNc2c(Cl)nccc2[N+](=O)[O-])C1 ZINC001170252449 1162325596 /nfs/dbraw/zinc/32/55/96/1162325596.db2.gz MBPTVZVWPFKKCF-UHFFFAOYSA-N 0 1 256.693 1.617 20 5 CDBDMN O=[N+]([O-])CCN[C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC001593465807 1174080226 /nfs/dbraw/zinc/08/02/26/1174080226.db2.gz AJNKSGHMAFAUPM-LBPRGKRZSA-N 0 1 288.311 1.110 20 5 CDBDMN O=C([O-])[C@H]1[C@@H]2C[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC001602204028 1175162444 /nfs/dbraw/zinc/16/24/44/1175162444.db2.gz GHRJEOVQVNOFDH-MIQSYHDOSA-N 0 1 288.303 1.870 20 5 CDBDMN O=C([O-])[C@H]1[C@@H]2C[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC001602204029 1175162640 /nfs/dbraw/zinc/16/26/40/1175162640.db2.gz 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COC(=O)[C@H](c1ccccc1)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840358012 936948944 /nfs/dbraw/zinc/94/89/44/936948944.db2.gz MWFCCCRKKOYISC-UTUOFQBUSA-N 0 1 292.291 1.024 20 5 CDBDMN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])n[nH]1)N1[C@H](C)CC[C@@H]1C ZINC001155037625 926437644 /nfs/dbraw/zinc/43/76/44/926437644.db2.gz GEMJISHNYPBCHM-YIZRAAEISA-N 0 1 281.316 1.518 20 5 CDBDMN O=[N+]([O-])C[C@@H]1CC[C@@H](NCc2ncc(F)cn2)C1 ZINC001168964513 927587488 /nfs/dbraw/zinc/58/74/88/927587488.db2.gz ULVJYNANXXKMGG-PSASIEDQSA-N 0 1 254.265 1.151 20 5 CDBDMN COc1ncnc2c1CCN([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169038097 927646771 /nfs/dbraw/zinc/64/67/71/927646771.db2.gz VIAHNFWONLGGIB-WDEREUQCSA-N 0 1 292.339 1.289 20 5 CDBDMN CCc1nnc(COC(=O)c2ccc([N+](=O)[O-])[nH]2)s1 ZINC000861177320 929252464 /nfs/dbraw/zinc/25/24/64/929252464.db2.gz HSCNJOBWXKXWRH-UHFFFAOYSA-N 0 1 282.281 1.694 20 5 CDBDMN CC[C@@](N)(CO)Nc1cnc(Cl)cc1[N+](=O)[O-] ZINC001170857522 930464701 /nfs/dbraw/zinc/46/47/01/930464701.db2.gz 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291.315 1.139 20 5 CDBDMN COCC1(NC(=O)c2n[nH]cc2[N+](=O)[O-])CCCC1 ZINC000597883680 343657146 /nfs/dbraw/zinc/65/71/46/343657146.db2.gz MLVMDQYBCDCKPD-UHFFFAOYSA-N 0 1 268.273 1.007 20 5 CDBDMN CN(CC1=CCCOC1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000598197486 343728244 /nfs/dbraw/zinc/72/82/44/343728244.db2.gz KSPVWAYQNYQIQV-UHFFFAOYSA-N 0 1 292.291 1.719 20 5 CDBDMN COc1cccc(NCCN2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000599176015 343966091 /nfs/dbraw/zinc/96/60/91/343966091.db2.gz OFRKNOSZBVDWPN-SNVBAGLBSA-N 0 1 281.312 1.082 20 5 CDBDMN C[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000602082444 344328297 /nfs/dbraw/zinc/32/82/97/344328297.db2.gz DCVCUANZLMFBLN-SNVBAGLBSA-N 0 1 265.313 1.204 20 5 CDBDMN CC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000273203290 192074264 /nfs/dbraw/zinc/07/42/64/192074264.db2.gz KHVIUORIKNHQKS-UHFFFAOYSA-N 0 1 293.323 1.468 20 5 CDBDMN CNC(C)(C)c1cn(Cc2ccccc2[N+](=O)[O-])nn1 ZINC000603186337 344727680 /nfs/dbraw/zinc/72/76/80/344727680.db2.gz 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C[C@@H](N[C@H]1CCCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000036976517 363303068 /nfs/dbraw/zinc/30/30/68/363303068.db2.gz FFLFGSXXJICYPW-MFKMUULPSA-N 0 1 277.324 1.914 20 5 CDBDMN CCc1n[nH]c(C(=O)NCCN2CCCCC2)c1[N+](=O)[O-] ZINC000170685259 188683057 /nfs/dbraw/zinc/68/30/57/188683057.db2.gz OLSMQCXHWQGBTC-UHFFFAOYSA-N 0 1 295.343 1.096 20 5 CDBDMN Cc1[nH]ncc1CNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358412529 355941073 /nfs/dbraw/zinc/94/10/73/355941073.db2.gz LXTWFGBOKMGQRR-UHFFFAOYSA-N 0 1 292.270 1.624 20 5 CDBDMN CNC(=O)CCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000049963810 357226397 /nfs/dbraw/zinc/22/63/97/357226397.db2.gz WCLSIMITMYBGQK-UHFFFAOYSA-N 0 1 271.704 1.474 20 5 CDBDMN CO[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000361355005 358165775 /nfs/dbraw/zinc/16/57/75/358165775.db2.gz GNXFUMYUDYRJEU-LLVKDONJSA-N 0 1 266.297 1.694 20 5 CDBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1n[nH]c(=O)o1 ZINC000588849054 358239930 /nfs/dbraw/zinc/23/99/30/358239930.db2.gz KYDMQDIYTMUFHS-UHFFFAOYSA-N 0 1 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PWGINMZWQRFVDB-XHNCKOQMSA-N 0 1 280.328 1.997 20 5 CDBDMN COc1ccc([N+](=O)[O-])cc1CN1CCc2n[nH]nc2C1 ZINC000351615937 375312758 /nfs/dbraw/zinc/31/27/58/375312758.db2.gz OUOPSCOKSAHMQR-UHFFFAOYSA-N 0 1 289.295 1.280 20 5 CDBDMN Cc1nnc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[nH]1 ZINC000352400753 375502824 /nfs/dbraw/zinc/50/28/24/375502824.db2.gz SZZWDNDQICQGIS-UHFFFAOYSA-N 0 1 291.223 1.002 20 5 CDBDMN Cc1n[nH]c(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)n1 ZINC000352400753 375502827 /nfs/dbraw/zinc/50/28/27/375502827.db2.gz SZZWDNDQICQGIS-UHFFFAOYSA-N 0 1 291.223 1.002 20 5 CDBDMN Cn1cnc([N+](=O)[O-])c1CN1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000428722564 247355227 /nfs/dbraw/zinc/35/52/27/247355227.db2.gz PZZBLQDEOISRHE-GXSJLCMTSA-N 0 1 286.282 1.805 20 5 CDBDMN Cc1[nH]nc(C(=O)N2CCC[C@]23CCOC3)c1[N+](=O)[O-] ZINC000357329515 377027594 /nfs/dbraw/zinc/02/75/94/377027594.db2.gz DUAMVCJBPFSPPN-GFCCVEGCSA-N 0 1 280.284 1.021 20 5 CDBDMN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+]1C1CC1 ZINC000278518008 194023171 /nfs/dbraw/zinc/02/31/71/194023171.db2.gz XPYWMSYMUANGNN-CQSZACIVSA-N 0 1 289.335 1.838 20 5 CDBDMN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN1C1CC1 ZINC000278518008 194023173 /nfs/dbraw/zinc/02/31/73/194023173.db2.gz XPYWMSYMUANGNN-CQSZACIVSA-N 0 1 289.335 1.838 20 5 CDBDMN CN(C)CC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000442672818 249937963 /nfs/dbraw/zinc/93/79/63/249937963.db2.gz ROOVCVYKTRFPDU-CYBMUJFWSA-N 0 1 295.364 1.730 20 5 CDBDMN O=[N+]([O-])c1ccc2[nH]c(CN[C@H]3CCOC3)nc2c1 ZINC000278661838 194090863 /nfs/dbraw/zinc/09/08/63/194090863.db2.gz KRNVMZOSILKOGE-QMMMGPOBSA-N 0 1 262.269 1.350 20 5 CDBDMN C[C@H]1CNCCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000212100362 391305359 /nfs/dbraw/zinc/30/53/59/391305359.db2.gz MUTKUCZZJPHTBK-ZADCQDASSA-N 0 1 275.308 1.428 20 5 CDBDMN Cc1nc(NC(=O)c2ccc([N+](=O)[O-])s2)n[nH]1 ZINC000069737864 391999074 /nfs/dbraw/zinc/99/90/74/391999074.db2.gz KIGNAKHJIXMURX-UHFFFAOYSA-N 0 1 253.243 1.335 20 5 CDBDMN 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COCC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccco1 ZINC000839721998 785372770 /nfs/dbraw/zinc/37/27/70/785372770.db2.gz SRUSYDABOQAMQQ-KXUCPTDWSA-N 0 1 268.269 1.139 20 5 CDBDMN O=C1NCCC[C@H]1CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000839195949 785684316 /nfs/dbraw/zinc/68/43/16/785684316.db2.gz PVOJVSASHGGCNH-VIFPVBQESA-N 0 1 297.742 1.864 20 5 CDBDMN CC(C)[C@@](C)(O)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837643004 785828618 /nfs/dbraw/zinc/82/86/18/785828618.db2.gz JIXSTPVIMLNNQA-CYBMUJFWSA-N 0 1 283.280 1.751 20 5 CDBDMN O=C(NCC1(Cc2ccc(F)cc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839718348 786261111 /nfs/dbraw/zinc/26/11/11/786261111.db2.gz QAOYUTAUAGWVEP-CHWSQXEVSA-N 0 1 292.310 1.930 20 5 CDBDMN Cc1ccc(C(C)(C)NC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC000840418782 786363119 /nfs/dbraw/zinc/36/31/19/786363119.db2.gz PXMMUXSPFNMYJR-GHMZBOCLSA-N 0 1 263.297 1.407 20 5 CDBDMN CC(C)NCc1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000090299965 786381198 /nfs/dbraw/zinc/38/11/98/786381198.db2.gz NOONMAPUICTMGF-UHFFFAOYSA-N 0 1 261.285 1.674 20 5 CDBDMN C[C@](N)(C(=O)N[C@@H]1CC=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000876943103 786417204 /nfs/dbraw/zinc/41/72/04/786417204.db2.gz BVINAONIUFCEBC-IUODEOHRSA-N 0 1 289.335 1.994 20 5 CDBDMN CC(C)N1C[C@H](COC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1=O ZINC000847755554 786449645 /nfs/dbraw/zinc/44/96/45/786449645.db2.gz JLCSXSNMOVCBPW-SECBINFHSA-N 0 1 295.295 1.337 20 5 CDBDMN O=C([O-])C[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000846275110 786683229 /nfs/dbraw/zinc/68/32/29/786683229.db2.gz PSTOWYCAXSMYKZ-AAEUAGOBSA-N 0 1 294.307 1.567 20 5 CDBDMN C[C@](N)(C(=O)NCC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000867944602 786710396 /nfs/dbraw/zinc/71/03/96/786710396.db2.gz YDQOYRVIWMGOAG-LLVKDONJSA-N 0 1 273.239 1.150 20 5 CDBDMN O=C(NCCC[C@H]1CCCCO1)[C@@H]1CC1[N+](=O)[O-] ZINC000839726941 786821835 /nfs/dbraw/zinc/82/18/35/786821835.db2.gz UOLFXIGMDBLBSO-GMTAPVOTSA-N 0 1 256.302 1.117 20 5 CDBDMN CC(C)CCOC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839545687 786846458 /nfs/dbraw/zinc/84/64/58/786846458.db2.gz XKCNOXONBHMBRB-CHWSQXEVSA-N 0 1 284.356 1.705 20 5 CDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](C2CCOCC2)C1 ZINC000886158809 786877372 /nfs/dbraw/zinc/87/73/72/786877372.db2.gz HDASWSPILIHTGL-YNEHKIRRSA-N 0 1 282.340 1.317 20 5 CDBDMN C[C@@H](O)CN(Cc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839691596 787202329 /nfs/dbraw/zinc/20/23/29/787202329.db2.gz IQHNLMOFKDVNGZ-RAIGVLPGSA-N 0 1 278.308 1.061 20 5 CDBDMN COc1ccccc1C[C@@H](C)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839691413 787788564 /nfs/dbraw/zinc/78/85/64/787788564.db2.gz MZEYUGGGOWGKMO-RAIGVLPGSA-N 0 1 292.335 1.750 20 5 CDBDMN CC[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000839698411 787823312 /nfs/dbraw/zinc/82/33/12/787823312.db2.gz BUFLPEJZIIEEQK-CYZMBNFOSA-N 0 1 296.298 1.765 20 5 CDBDMN CCOC(=O)[C@H](C[C@H](C)CC)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000928310195 787999142 /nfs/dbraw/zinc/99/91/42/787999142.db2.gz LOEJXHYNTATVBF-CHWFTXMASA-N 0 1 286.328 1.136 20 5 CDBDMN C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840397284 788229685 /nfs/dbraw/zinc/22/96/85/788229685.db2.gz FATUONKNWWLRKB-GGZOMVNGSA-N 0 1 294.282 1.568 20 5 CDBDMN Cc1cccc(OC[C@@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839565976 788235550 /nfs/dbraw/zinc/23/55/50/788235550.db2.gz AFEAJOVLHDLQCV-RAIGVLPGSA-N 0 1 278.308 1.544 20 5 CDBDMN O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)[C@@H]1CC1[N+](=O)[O-] ZINC000839626394 788280621 /nfs/dbraw/zinc/28/06/21/788280621.db2.gz QIIBWGYGEZYDSA-SYQHCUMBSA-N 0 1 290.319 1.688 20 5 CDBDMN CN1CCC[C@@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)C1=O ZINC000783637431 788311136 /nfs/dbraw/zinc/31/11/36/788311136.db2.gz DELDDSHZRMRTDO-LLVKDONJSA-N 0 1 297.742 1.959 20 5 CDBDMN CC(C)CCNC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867949496 788392558 /nfs/dbraw/zinc/39/25/58/788392558.db2.gz AHHYQHRHLWLGHO-CQSZACIVSA-N 0 1 279.340 1.931 20 5 CDBDMN CCOCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837343828 788401762 /nfs/dbraw/zinc/40/17/62/788401762.db2.gz GOAIRSULHLYXAQ-UHFFFAOYSA-N 0 1 255.226 1.380 20 5 CDBDMN CN(CCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839569649 788818996 /nfs/dbraw/zinc/81/89/96/788818996.db2.gz ZARGTRCAAANWNA-ZIAGYGMSSA-N 0 1 291.351 1.684 20 5 CDBDMN O=[N+]([O-])c1ccc(CN[C@H](CO)C2CC2)c([N+](=O)[O-])c1 ZINC000792878357 789080657 /nfs/dbraw/zinc/08/06/57/789080657.db2.gz VXSAHIXXIVTOER-LLVKDONJSA-N 0 1 281.268 1.364 20 5 CDBDMN C[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])Oc1ccc(Cl)cc1 ZINC000839696705 789155637 /nfs/dbraw/zinc/15/56/37/789155637.db2.gz NSGSLSXQWKGUTR-GGZOMVNGSA-N 0 1 298.726 1.889 20 5 CDBDMN COCC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(C)o1 ZINC000839720401 789714642 /nfs/dbraw/zinc/71/46/42/789714642.db2.gz KZMOXFWYEUFNMM-OUAUKWLOSA-N 0 1 282.296 1.447 20 5 CDBDMN CC1(C)[C@@H]2OCCC[C@H]2[C@@H]1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842311219 789812406 /nfs/dbraw/zinc/81/24/06/789812406.db2.gz RCHHDPCLUZXANB-ILAIQSSSSA-N 0 1 269.297 1.398 20 5 CDBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N(C)CC(=O)N(C)C ZINC001173227019 912321805 /nfs/dbraw/zinc/32/18/05/912321805.db2.gz MDVYNOZEUPRFIJ-LLVKDONJSA-N 0 1 279.340 1.546 20 5 CDBDMN COc1ccc(NCCN2CCSCC2)nc1[N+](=O)[O-] ZINC001167833091 901186836 /nfs/dbraw/zinc/18/68/36/901186836.db2.gz YZCFBCJSWVVFSB-UHFFFAOYSA-N 0 1 298.368 1.459 20 5 CDBDMN CCO[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C12CCCCC2 ZINC000839689623 936920024 /nfs/dbraw/zinc/92/00/24/936920024.db2.gz CWXXZMBUVWDJKX-NDBYEHHHSA-N 0 1 296.367 1.896 20 5 CDBDMN C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000839690653 936920052 /nfs/dbraw/zinc/92/00/52/936920052.db2.gz DQNBCXXVRCZTRP-XXILOJSOSA-N 0 1 282.271 1.374 20 5 CDBDMN O=[N+]([O-])C[C@@H]1CC[C@@H](NCc2nc(C3CC3)no2)C1 ZINC001168979549 927567323 /nfs/dbraw/zinc/56/73/23/927567323.db2.gz ZDVDXBFVFFMJES-PSASIEDQSA-N 0 1 266.301 1.482 20 5 CDBDMN CC(C)Oc1ccnc(CN[C@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001169006258 927607456 /nfs/dbraw/zinc/60/74/56/927607456.db2.gz GLCNOXZKCVDQAC-RYUDHWBXSA-N 0 1 294.355 1.799 20 5 CDBDMN O=C1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC[C@@H]1F ZINC001169010625 927616540 /nfs/dbraw/zinc/61/65/40/927616540.db2.gz FGAVZWUVQFTFMX-MXWKQRLJSA-N 0 1 258.293 1.435 20 5 CDBDMN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC3(C2)CCCCO3)C1 ZINC001169012870 927619689 /nfs/dbraw/zinc/61/96/89/927619689.db2.gz SJJHYZZFIPERHR-VXGBXAGGSA-N 0 1 254.330 1.687 20 5 CDBDMN COc1cc([N+](=O)[O-])c(NC[C@H]2COCCN2)cc1F ZINC001170042258 929123872 /nfs/dbraw/zinc/12/38/72/929123872.db2.gz BSIFOMVESRLSEW-QMMMGPOBSA-N 0 1 285.275 1.143 20 5 CDBDMN Cc1c(F)cc([N+](=O)[O-])cc1NC[C@H]1COCCN1 ZINC001170047912 929157804 /nfs/dbraw/zinc/15/78/04/929157804.db2.gz UYHSYPHTXJTSEA-VIFPVBQESA-N 0 1 269.276 1.443 20 5 CDBDMN CC1(C)[C@H](O)C[C@H]1NCc1cccnc1[N+](=O)[O-] ZINC000886229340 930832185 /nfs/dbraw/zinc/83/21/85/930832185.db2.gz OFJDPNZIFQJXBN-NXEZZACHSA-N 0 1 251.286 1.239 20 5 CDBDMN COC/C(C)=C/C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000845245274 931785675 /nfs/dbraw/zinc/78/56/75/931785675.db2.gz ZNWMZCFTHHNBDT-WEVVVXLNSA-N 0 1 281.264 1.936 20 5 CDBDMN CC(C)CN(Cc1ccccn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000928737097 933175816 /nfs/dbraw/zinc/17/58/16/933175816.db2.gz PBLFCYWBYJFTMH-CHWSQXEVSA-N 0 1 277.324 1.731 20 5 CDBDMN CC(C)[C@]1(CO)CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC001119434361 937719509 /nfs/dbraw/zinc/71/95/09/937719509.db2.gz DFWHACVZRIBBML-CQSZACIVSA-N 0 1 279.340 1.830 20 5 CDBDMN O=C(N[C@@H](CCO)c1cccs1)c1n[nH]cc1[N+](=O)[O-] ZINC000779270230 934512962 /nfs/dbraw/zinc/51/29/62/934512962.db2.gz WVTUKVMUXGBCRI-ZETCQYMHSA-N 0 1 296.308 1.233 20 5 CDBDMN C[N@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C(C)(C)C1 ZINC001156590734 938390282 /nfs/dbraw/zinc/39/02/82/938390282.db2.gz PWZQRULVROVHJW-LBPRGKRZSA-N 0 1 293.323 1.370 20 5 CDBDMN Cc1cnc(CN)n1-c1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001158167311 938589080 /nfs/dbraw/zinc/58/90/80/938589080.db2.gz SUXLBELAVUGCSW-UHFFFAOYSA-N 0 1 291.311 1.730 20 5 CDBDMN Cc1[nH]ncc1CNc1ncc([N+](=O)[O-])cc1F ZINC001162273976 938969854 /nfs/dbraw/zinc/96/98/54/938969854.db2.gz WRSBIBUGYWGOGQ-UHFFFAOYSA-N 0 1 251.221 1.773 20 5 CDBDMN COc1ccnc(N[C@H]2CN3CCC2CC3)c1[N+](=O)[O-] ZINC001163385921 939260617 /nfs/dbraw/zinc/26/06/17/939260617.db2.gz KPVFPPRFCCVMSP-JTQLQIEISA-N 0 1 278.312 1.505 20 5 CDBDMN O=[N+]([O-])c1ccc(COC2CCN(CCF)CC2)cn1 ZINC001224108850 941721180 /nfs/dbraw/zinc/72/11/80/941721180.db2.gz LTMUIGPPGWUSJT-UHFFFAOYSA-N 0 1 283.303 1.940 20 5 CDBDMN CC1=C(Oc2cc(O)ccc2[N+](=O)[O-])C(=O)O[C@@H]1C ZINC001225490296 941869026 /nfs/dbraw/zinc/86/90/26/941869026.db2.gz GRCQUNGHDHHQOU-SSDOTTSWSA-N 0 1 265.221 1.899 20 5 CDBDMN C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])C2 ZINC001225661783 941896155 /nfs/dbraw/zinc/89/61/55/941896155.db2.gz PDRAVSVUFMARQK-MYJAWHEDSA-N 0 1 279.296 1.699 20 5 CDBDMN C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])C2 ZINC001225661783 941896157 /nfs/dbraw/zinc/89/61/57/941896157.db2.gz PDRAVSVUFMARQK-MYJAWHEDSA-N 0 1 279.296 1.699 20 5 CDBDMN C[NH+](C)C1CCC(Oc2nccc([O-])c2[N+](=O)[O-])CC1 ZINC001225667973 941897693 /nfs/dbraw/zinc/89/76/93/941897693.db2.gz XKBFRKFYZRGKIG-UHFFFAOYSA-N 0 1 281.312 1.947 20 5 CDBDMN CN1CCC[C@@H](Oc2ncc(F)cc2[N+](=O)[O-])C1 ZINC001226757123 942063892 /nfs/dbraw/zinc/06/38/92/942063892.db2.gz VVNVEKSIAKSDTO-SECBINFHSA-N 0 1 255.249 1.602 20 5 CDBDMN CC(=O)[C@@H](C)Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227096701 942131297 /nfs/dbraw/zinc/13/12/97/942131297.db2.gz RTGZIUZKPSZQRX-SSDOTTSWSA-N 0 1 277.236 1.600 20 5 CDBDMN CCN1CC[C@H](Oc2c(C(=O)OC)cccc2[N+](=O)[O-])C1 ZINC001227122480 942137278 /nfs/dbraw/zinc/13/72/78/942137278.db2.gz QIDGWYIWLLDQJT-JTQLQIEISA-N 0 1 294.307 1.854 20 5 CDBDMN CN1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001227462486 942179465 /nfs/dbraw/zinc/17/94/65/942179465.db2.gz GJCGKGPQFVTLAP-JTQLQIEISA-N 0 1 281.268 1.976 20 5 CDBDMN Cc1nnc(=S)[nH]c1O[C@@H](C[N+](=O)[O-])c1cccnc1 ZINC001227598933 942193049 /nfs/dbraw/zinc/19/30/49/942193049.db2.gz OBKGHQVTCJLIGI-VIFPVBQESA-N 0 1 293.308 1.261 20 5 CDBDMN O=C1CC[C@@H](COc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])O1 ZINC001228603817 942341327 /nfs/dbraw/zinc/34/13/27/942341327.db2.gz MPCDZQHIWHWGRN-ZETCQYMHSA-N 0 1 295.251 1.052 20 5 CDBDMN C[C@H](C[N+](C)(C)C)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228698173 942360181 /nfs/dbraw/zinc/36/01/81/942360181.db2.gz OGLDVNMWWFGIPA-SNVBAGLBSA-N 0 1 262.337 1.340 20 5 CDBDMN O=[N+]([O-])C[C@H](Oc1nnc2c[nH]ccc1-2)c1cccnc1 ZINC001228991281 942404577 /nfs/dbraw/zinc/40/45/77/942404577.db2.gz WXFBIMFMQSETDS-LBPRGKRZSA-N 0 1 285.263 1.750 20 5 CDBDMN CCO[C@@H](C)COc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229378627 942460772 /nfs/dbraw/zinc/46/07/72/942460772.db2.gz HOPUPVWIOKCDKK-LURJTMIESA-N 0 1 257.246 1.203 20 5 CDBDMN Cc1nc(O[C@H]2CCOC[C@@H]2C)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229379639 942462135 /nfs/dbraw/zinc/46/21/35/942462135.db2.gz WOIUWAOMJNJQLJ-XPUUQOCRSA-N 0 1 269.257 1.203 20 5 CDBDMN O=[N+]([O-])c1ccc2c(c1)C[C@H](N[C@@H]1COC[C@@H]1F)C2 ZINC001254589412 947542341 /nfs/dbraw/zinc/54/23/41/947542341.db2.gz OFHBAJMEHSEOGC-KGYLQXTDSA-N 0 1 266.272 1.389 20 5 CDBDMN O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2CCN2)n1 ZINC001248284088 948993745 /nfs/dbraw/zinc/99/37/45/948993745.db2.gz GFHSISRBVWSRSG-ZCFIWIBFSA-N 0 1 265.204 1.213 20 5 CDBDMN O=[N+]([O-])[C@@H]1C[C@H]1c1nnc(Cn2cnc3ccccc32)o1 ZINC001327326140 954828958 /nfs/dbraw/zinc/82/89/58/954828958.db2.gz NZKOTINMUOUGFO-LDYMZIIASA-N 0 1 285.263 1.600 20 5 CDBDMN O=C([O-])C[C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC001331966813 957370531 /nfs/dbraw/zinc/37/05/31/957370531.db2.gz YXLMLIBJGNTVEP-JTQLQIEISA-N 0 1 279.296 1.677 20 5 CDBDMN Cn1ncc([N+](=O)[O-])c1N1CCN(C(C)(C)C)CC1 ZINC001333640980 958470321 /nfs/dbraw/zinc/47/03/21/958470321.db2.gz MYPUIJXZHZPVIZ-UHFFFAOYSA-N 0 1 267.333 1.249 20 5 CDBDMN CC[N@@H+](CC(=O)[O-])Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC001596224808 983614987 /nfs/dbraw/zinc/61/49/87/983614987.db2.gz ASUUPNBYXIGGRF-UHFFFAOYSA-N 0 1 296.279 1.288 20 5 CDBDMN C[NH+](C)Cc1nnc(-c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)o1 ZINC001598255554 991059056 /nfs/dbraw/zinc/05/90/56/991059056.db2.gz GJQADPGZAUZBFQ-UHFFFAOYSA-N 0 1 292.251 1.405 20 5 CDBDMN C[N@H+](CC[N+](=O)[O-])[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598500788 992434647 /nfs/dbraw/zinc/43/46/47/992434647.db2.gz YMNZCKJCDJLCLD-SNVBAGLBSA-N 0 1 292.213 1.438 20 5 CDBDMN C[N@@H+](CC[N+](=O)[O-])[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598500788 992434650 /nfs/dbraw/zinc/43/46/50/992434650.db2.gz YMNZCKJCDJLCLD-SNVBAGLBSA-N 0 1 292.213 1.438 20 5 CDBDMN CCc1nn(C)c(NC[C@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC000091562096 1174298779 /nfs/dbraw/zinc/29/87/79/1174298779.db2.gz LTOFQHPYDMKPNT-SNVBAGLBSA-N 0 1 281.360 1.787 20 5 CDBDMN CCCc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000267754385 361738178 /nfs/dbraw/zinc/73/81/78/361738178.db2.gz YANMUFQRCMGCDU-RKDXNWHRSA-N 0 1 280.328 1.998 20 5 CDBDMN 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DJHNSMJXJMLTOQ-GHMZBOCLSA-N 0 1 268.244 1.921 20 5 CDBDMN O=[N+]([O-])c1ncccc1NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000594588431 342922235 /nfs/dbraw/zinc/92/22/35/342922235.db2.gz APYIBPNJHUVKNW-VIFPVBQESA-N 0 1 290.283 1.572 20 5 CDBDMN Cc1noc(CN2CCC3(C2)CCOCC3)c1[N+](=O)[O-] ZINC000595334468 343028934 /nfs/dbraw/zinc/02/89/34/343028934.db2.gz ORJMCCIHIKHBQP-UHFFFAOYSA-N 0 1 281.312 1.894 20 5 CDBDMN CO[C@H]1CCCN(Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595423591 343055970 /nfs/dbraw/zinc/05/59/70/343055970.db2.gz BIOCPNDUKFMHFO-JTQLQIEISA-N 0 1 269.301 1.892 20 5 CDBDMN CN(C[C@H]1CCC[N@H+]1C)c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000166803973 362061007 /nfs/dbraw/zinc/06/10/07/362061007.db2.gz LGKWVUJXZZWMDU-SECBINFHSA-N 0 1 294.311 1.218 20 5 CDBDMN CC(C)[C@@H]1CN(C)CCN1c1ncccc1[N+](=O)[O-] ZINC000078022585 342332982 /nfs/dbraw/zinc/33/29/82/342332982.db2.gz WSQDAEQDYITALQ-LBPRGKRZSA-N 0 1 264.329 1.766 20 5 CDBDMN C[C@@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)[C@@H](C)CN1C ZINC000596177812 343261609 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Cc1nc(N2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000292254657 362356020 /nfs/dbraw/zinc/35/60/20/362356020.db2.gz KIBCGKLPFICCGL-CQSZACIVSA-N 0 1 276.340 1.830 20 5 CDBDMN CSC1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC000601691587 344226756 /nfs/dbraw/zinc/22/67/56/344226756.db2.gz GPQYKAHDPLUYCU-UHFFFAOYSA-N 0 1 284.341 1.594 20 5 CDBDMN CSCC[C@H](C)N(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000265508256 362433419 /nfs/dbraw/zinc/43/34/19/362433419.db2.gz JTJIWBJOANAXRD-ZETCQYMHSA-N 0 1 286.357 1.840 20 5 CDBDMN CN[C@H](C)c1cn(CCOc2ccccc2[N+](=O)[O-])nn1 ZINC000603201532 344733473 /nfs/dbraw/zinc/73/34/73/344733473.db2.gz RAMOBSXHLIOYSJ-SNVBAGLBSA-N 0 1 291.311 1.546 20 5 CDBDMN C[C@@H]1CN(CCCNc2ncccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000073448663 345460493 /nfs/dbraw/zinc/46/04/93/345460493.db2.gz OEPNEGOYVAAHOH-TXEJJXNPSA-N 0 1 294.355 1.901 20 5 CDBDMN C[C@@H](CNc1ccc([N+](=O)[O-])s1)N1CCN(C)CC1 ZINC000609561011 345808416 /nfs/dbraw/zinc/80/84/16/345808416.db2.gz 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C[C@@H]1CCC[C@H](C)N1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000819637353 811892220 /nfs/dbraw/zinc/89/22/20/811892220.db2.gz OYRRMNUWDNGKOZ-OCAPTIKFSA-N 0 1 267.289 1.226 20 5 CDBDMN COc1cc([C@@H](C)NCC[N+](=O)[O-])cc(OC)c1OC ZINC000930198746 812016557 /nfs/dbraw/zinc/01/65/57/812016557.db2.gz OIFNBTJSQIRFPQ-SECBINFHSA-N 0 1 284.312 1.640 20 5 CDBDMN CCN1CC[C@H]1CNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000882958592 812174309 /nfs/dbraw/zinc/17/43/09/812174309.db2.gz FJMMFYWDVAVMHZ-JTQLQIEISA-N 0 1 283.303 1.732 20 5 CDBDMN CCC1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])(C(=O)OC)CC1 ZINC000840386159 812279857 /nfs/dbraw/zinc/27/98/57/812279857.db2.gz FCXGECDZDUBANI-JXRVJTEKSA-N 0 1 298.339 1.280 20 5 CDBDMN CC(C)(CO)[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000834592630 812780835 /nfs/dbraw/zinc/78/08/35/812780835.db2.gz NICPUHIUSTVLSR-UPJWGTAASA-N 0 1 292.335 1.528 20 5 CDBDMN CC[C@H](C)[N@H+](CC(=O)[O-])C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000846277915 813337978 /nfs/dbraw/zinc/33/79/78/813337978.db2.gz LQTAQRXCVILKQC-GXFFZTMASA-N 0 1 296.323 1.813 20 5 CDBDMN O=C(Nc1ccc(C(F)(F)F)nc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840408129 813661967 /nfs/dbraw/zinc/66/19/67/813661967.db2.gz QSSYASAQGGOKJA-RNFRBKRXSA-N 0 1 275.186 1.704 20 5 CDBDMN O=C(C=Cc1ccc([N+](=O)[O-])cc1)NCc1cnc[nH]1 ZINC000088759181 813772852 /nfs/dbraw/zinc/77/28/52/813772852.db2.gz PFWOIILFGPRHCM-ZZXKWVIFSA-N 0 1 272.264 1.648 20 5 CDBDMN C[C@H]1c2ccccc2CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839696854 813806732 /nfs/dbraw/zinc/80/67/32/813806732.db2.gz AIVULPPSKCHDSS-ZWKOPEQDSA-N 0 1 260.293 1.798 20 5 CDBDMN Cc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2N)n[nH]1 ZINC000716762833 813932259 /nfs/dbraw/zinc/93/22/59/813932259.db2.gz QZCFMAAMOHGWBN-UHFFFAOYSA-N 0 1 275.268 1.139 20 5 CDBDMN Cc1csc([C@@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000839640427 813938349 /nfs/dbraw/zinc/93/83/49/813938349.db2.gz QJAITKPQYXNVIP-BWZBUEFSSA-N 0 1 255.299 1.294 20 5 CDBDMN COc1cc(OS(=O)(=O)c2c[nH]cn2)ccc1[N+](=O)[O-] ZINC000795223936 816852964 /nfs/dbraw/zinc/85/29/64/816852964.db2.gz RHNMOCHSGYNKIE-UHFFFAOYSA-N 0 1 299.264 1.094 20 5 CDBDMN O=C(Nc1ccccn1)[C@@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000929884038 816907877 /nfs/dbraw/zinc/90/78/77/816907877.db2.gz CJNXVDQYIDUQAG-LLVKDONJSA-N 0 1 278.312 1.009 20 5 CDBDMN CN(c1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000856089103 817015884 /nfs/dbraw/zinc/01/58/84/817015884.db2.gz GOXYFWHUUYCMAQ-MGPQQGTHSA-N 0 1 289.335 1.389 20 5 CDBDMN O=C(NC[C@H]1CCCc2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000839502337 817274342 /nfs/dbraw/zinc/27/43/42/817274342.db2.gz HHHVNEQHTZZKNA-MRVWCRGKSA-N 0 1 274.320 1.888 20 5 CDBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCc2ccccc2C1 ZINC000839685844 817410165 /nfs/dbraw/zinc/41/01/65/817410165.db2.gz ZCHIHMOUVSJTNH-BFHYXJOUSA-N 0 1 274.320 1.668 20 5 CDBDMN O=[N+]([O-])c1ncccc1CN1CCC[C@@H](CCO)CC1 ZINC000886252252 817567813 /nfs/dbraw/zinc/56/78/13/817567813.db2.gz YIYRZQKOUXJRQV-GFCCVEGCSA-N 0 1 279.340 1.974 20 5 CDBDMN COc1ccc(CNC(=O)CN2CCCC2)cc1[N+](=O)[O-] ZINC000874114337 817677185 /nfs/dbraw/zinc/67/71/85/817677185.db2.gz CDSCQVKYYANAIH-UHFFFAOYSA-N 0 1 293.323 1.315 20 5 CDBDMN CC(=O)N[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC001021746797 895739709 /nfs/dbraw/zinc/73/97/09/895739709.db2.gz OHVFAGNRORYCLD-AOOOYVTPSA-N 0 1 269.326 1.413 20 5 CDBDMN Cc1cnc(CO[C@@H]2CC[N@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC001224182669 909207920 /nfs/dbraw/zinc/20/79/20/909207920.db2.gz KKNKOCXZYLMEQC-LLVKDONJSA-N 0 1 265.313 1.827 20 5 CDBDMN C[C@@H]1COC[C@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000922641954 921722497 /nfs/dbraw/zinc/72/24/97/921722497.db2.gz SJYREFVRRVCWBK-NOZJJQNGSA-N 0 1 294.307 1.586 20 5 CDBDMN CCCCO[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1(C)C ZINC000839697331 936919968 /nfs/dbraw/zinc/91/99/68/936919968.db2.gz FMIQOGOMOGOSEK-WYUUTHIRSA-N 0 1 284.356 1.752 20 5 CDBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1COCCO1 ZINC000850426571 927429909 /nfs/dbraw/zinc/42/99/09/927429909.db2.gz WNWXJMPLBVOAKI-JQWIXIFHSA-N 0 1 296.323 1.669 20 5 CDBDMN NCc1nnnn1-c1ncnc2cc3ccccc3cc21 ZINC001168920934 927542613 /nfs/dbraw/zinc/54/26/13/927542613.db2.gz MAZSWPLFNNHNNZ-UHFFFAOYSA-N 0 1 277.291 1.217 20 5 CDBDMN O=[N+]([O-])C[C@@H]1CC[C@@H](NC2(c3ccccc3)COC2)C1 ZINC001168974974 927598985 /nfs/dbraw/zinc/59/89/85/927598985.db2.gz UCWXTTJZWDIVMX-TZMCWYRMSA-N 0 1 276.336 1.947 20 5 CDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H]1c1ccc(F)cc1 ZINC000855565665 928440260 /nfs/dbraw/zinc/44/02/60/928440260.db2.gz UAKVRNHYFRIFNM-IJLUTSLNSA-N 0 1 264.256 1.764 20 5 CDBDMN CC[C@@](N)(CO)Nc1cc2cccnc2c([N+](=O)[O-])c1 ZINC001170864626 930509992 /nfs/dbraw/zinc/50/99/92/930509992.db2.gz UWZSQRVIYHRCLU-ZDUSSCGKSA-N 0 1 276.296 1.612 20 5 CDBDMN CC[C@@](N)(CO)Nc1c(C)cc(C)c([N+](=O)[O-])c1C ZINC001170865314 930518497 /nfs/dbraw/zinc/51/84/97/930518497.db2.gz MEVPPMIPQWOPLW-ZDUSSCGKSA-N 0 1 267.329 1.989 20 5 CDBDMN O=C(NCC1(C2(O)CCC2)CCC1)c1n[nH]cc1[N+](=O)[O-] ZINC001154978760 937615480 /nfs/dbraw/zinc/61/54/80/937615480.db2.gz GXXZPVDNHOMVFW-UHFFFAOYSA-N 0 1 294.311 1.133 20 5 CDBDMN Cc1cnc(CN)n1-c1cc(Cl)ncc1[N+](=O)[O-] ZINC001158163670 938588311 /nfs/dbraw/zinc/58/83/11/938588311.db2.gz ZOOILVWDMFOONF-UHFFFAOYSA-N 0 1 267.676 1.596 20 5 CDBDMN O=[N+]([O-])c1cc(Cl)nc(NC[C@@H]2COCCN2)c1 ZINC001159036358 938694800 /nfs/dbraw/zinc/69/48/00/938694800.db2.gz LSXMJUXAAKHMJL-SSDOTTSWSA-N 0 1 272.692 1.044 20 5 CDBDMN CC[C@@](N)(CO)Nc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001159748339 938750295 /nfs/dbraw/zinc/75/02/95/938750295.db2.gz MSPIWMXLBQFOSE-LBPRGKRZSA-N 0 1 284.316 1.246 20 5 CDBDMN Cc1ncc([N+](=O)[O-])c(N2CCN(C(C)C)[C@H](C)C2)n1 ZINC001165199152 939522547 /nfs/dbraw/zinc/52/25/47/939522547.db2.gz JZVGGIJOXHOHBR-SNVBAGLBSA-N 0 1 279.344 1.612 20 5 CDBDMN N[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1(F)F ZINC001166959848 939660877 /nfs/dbraw/zinc/66/08/77/939660877.db2.gz KVQYUBGRUVEDQW-MRVPVSSYSA-N 0 1 292.673 1.816 20 5 CDBDMN O=c1[nH]c(C2CC2)nc(O[C@H]2CCCOC2)c1[N+](=O)[O-] ZINC001228604972 942341240 /nfs/dbraw/zinc/34/12/40/942341240.db2.gz ZEOHYWORGYNRNV-QMMMGPOBSA-N 0 1 281.268 1.526 20 5 CDBDMN COC(=O)c1cc([N+](=O)[O-])c(O[C@H]2CCCOC2)cc1O ZINC001228812439 942379863 /nfs/dbraw/zinc/37/98/63/942379863.db2.gz WFZFOOPPGPKAJT-QMMMGPOBSA-N 0 1 297.263 1.645 20 5 CDBDMN CCO[C@H](C)COc1cc(O)c(C(=O)OC)cc1[N+](=O)[O-] ZINC001228813299 942380896 /nfs/dbraw/zinc/38/08/96/942380896.db2.gz AVOXBQJFXPFOGF-MRVPVSSYSA-N 0 1 299.279 1.891 20 5 CDBDMN COC(=O)c1cc(O[C@H]2CCN(C)C2)c(F)cc1[N+](=O)[O-] ZINC001229941076 942554550 /nfs/dbraw/zinc/55/45/50/942554550.db2.gz HTBCDJDBNIVVNP-QMMMGPOBSA-N 0 1 298.270 1.603 20 5 CDBDMN COC(=O)[C@H]1C[C@@H](Oc2cc3[nH]ncc3cc2[N+](=O)[O-])C1 ZINC001230595181 942653363 /nfs/dbraw/zinc/65/33/63/942653363.db2.gz KAXOGOFJTGFBOV-OTSSQURYSA-N 0 1 291.263 1.802 20 5 CDBDMN CC[N@H+]1CC[C@H](Oc2nc(=O)[n-]c(Cl)c2[N+](=O)[O-])C1 ZINC001231071874 942774906 /nfs/dbraw/zinc/77/49/06/942774906.db2.gz NXWQBUFTAVEXJS-LURJTMIESA-N 0 1 288.691 1.217 20 5 CDBDMN CC(=O)N1CC[C@@H](Oc2nc(C)cc(O)c2[N+](=O)[O-])C1 ZINC001231258614 942836216 /nfs/dbraw/zinc/83/62/16/942836216.db2.gz AWVCLMQXZAMLFX-SECBINFHSA-N 0 1 281.268 1.003 20 5 CDBDMN CN(C)C1CN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001262337456 946589054 /nfs/dbraw/zinc/58/90/54/946589054.db2.gz OUUZBRNNBDOZLJ-KBPBESRZSA-N 0 1 289.335 1.471 20 5 CDBDMN O=C(NC[C@@H]1C[C@H]2CCC[C@H]2O1)c1n[nH]cc1[N+](=O)[O-] ZINC001303287107 956074426 /nfs/dbraw/zinc/07/44/26/956074426.db2.gz NKLACIVCNSFNFP-KHQFGBGNSA-N 0 1 280.284 1.005 20 5 CDBDMN CCn1cc(CNCCc2cccc([N+](=O)[O-])c2)nn1 ZINC001334981778 959508539 /nfs/dbraw/zinc/50/85/39/959508539.db2.gz FPIQNDQPFXUEKF-UHFFFAOYSA-N 0 1 275.312 1.539 20 5 CDBDMN CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CCN(CC)[C@@H](C)C1 ZINC001339340771 962313522 /nfs/dbraw/zinc/31/35/22/962313522.db2.gz ORGHTWIWUYDILG-WDEREUQCSA-N 0 1 296.375 1.166 20 5 CDBDMN O=C(O[C@H]1CCO[C@@H](C2CCOCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001343345379 963956053 /nfs/dbraw/zinc/95/60/53/963956053.db2.gz XUBJQUNCZXQYHF-UMSGYPCISA-N 0 1 299.323 1.169 20 5 CDBDMN CCOC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000044605601 341979744 /nfs/dbraw/zinc/97/97/44/341979744.db2.gz QHGROUKUUBUCAR-GHMZBOCLSA-N 0 1 293.279 1.859 20 5 CDBDMN CCC[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])OCC ZINC000600174715 341982953 /nfs/dbraw/zinc/98/29/53/341982953.db2.gz MTUVDPGGTQDQEA-QMMMGPOBSA-N 0 1 270.289 1.253 20 5 CDBDMN C[C@@]1(O)CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000124441758 187137842 /nfs/dbraw/zinc/13/78/42/187137842.db2.gz QBPUNIHOAFOITE-CQSZACIVSA-N 0 1 293.323 1.041 20 5 CDBDMN CC1(C)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CCCO1 ZINC000611556808 346815960 /nfs/dbraw/zinc/81/59/60/346815960.db2.gz QZXUWAHGTBMAAX-UHFFFAOYSA-N 0 1 294.307 1.942 20 5 CDBDMN C[C@@H](C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])N(C)C ZINC000590455013 342548831 /nfs/dbraw/zinc/54/88/31/342548831.db2.gz RLGWWSOWSSTRAO-JTQLQIEISA-N 0 1 279.340 1.896 20 5 CDBDMN Cc1cc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)ncn1 ZINC000611559413 346817024 /nfs/dbraw/zinc/81/70/24/346817024.db2.gz WAEDIIOKGGWEBG-UHFFFAOYSA-N 0 1 288.263 1.329 20 5 CDBDMN CN(C[C@@H](O)C1CC1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611559184 346817110 /nfs/dbraw/zinc/81/71/10/346817110.db2.gz DUZJEIRQAILZRD-GFCCVEGCSA-N 0 1 280.280 1.143 20 5 CDBDMN CC(=O)NCCN(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000564991036 365545954 /nfs/dbraw/zinc/54/59/54/365545954.db2.gz VUGLRDLQLSXNPQ-FNORWQNLSA-N 0 1 277.324 1.676 20 5 CDBDMN O=[N+]([O-])c1ncccc1N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000609132452 342091388 /nfs/dbraw/zinc/09/13/88/342091388.db2.gz YLOABBUCHSVCMW-YPMHNXCESA-N 0 1 292.339 1.025 20 5 CDBDMN CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)CC(C)(C)O ZINC000083187600 178352239 /nfs/dbraw/zinc/35/22/39/178352239.db2.gz MPFOVMSQUDOZFF-UHFFFAOYSA-N 0 1 279.296 1.939 20 5 CDBDMN COc1cc(NCCc2nc[nH]n2)c([N+](=O)[O-])cc1C ZINC000312758695 342135372 /nfs/dbraw/zinc/13/53/72/342135372.db2.gz KIELCJDCXWEBIW-UHFFFAOYSA-N 0 1 277.284 1.685 20 5 CDBDMN CCOc1cc(CN(CCO)C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000289872642 361865332 /nfs/dbraw/zinc/86/53/32/361865332.db2.gz QVIUKAOASRMAHV-LLVKDONJSA-N 0 1 298.339 1.169 20 5 CDBDMN Cc1cccc(N2CC(N3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000593502885 342808719 /nfs/dbraw/zinc/80/87/19/342808719.db2.gz DQDVGORKJVDPRP-GFCCVEGCSA-N 0 1 277.324 1.158 20 5 CDBDMN O=[N+]([O-])c1ccc(N2CCN(Cc3nnc[nH]3)CC2)s1 ZINC000593507131 342809501 /nfs/dbraw/zinc/80/95/01/342809501.db2.gz DKXCMVGRAONDGE-UHFFFAOYSA-N 0 1 294.340 1.097 20 5 CDBDMN CO[C@H]1COC[C@@H]1N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000290021067 361975822 /nfs/dbraw/zinc/97/58/22/361975822.db2.gz BAOAZLXAULWACI-ICCXJUOJSA-N 0 1 266.297 1.659 20 5 CDBDMN CO[C@H]1COC[C@@H]1N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000290074353 361996905 /nfs/dbraw/zinc/99/69/05/361996905.db2.gz GIOSZBAFJSQHCO-ICCXJUOJSA-N 0 1 266.297 1.659 20 5 CDBDMN Cc1cnc(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])c(C)c1 ZINC000594395591 342895709 /nfs/dbraw/zinc/89/57/09/342895709.db2.gz ACSOBMBCGGXRMK-UHFFFAOYSA-N 0 1 289.295 1.302 20 5 CDBDMN CCCc1[nH]nc(C(=O)N2CC(C)(C)C2)c1[N+](=O)[O-] ZINC000619147290 349641456 /nfs/dbraw/zinc/64/14/56/349641456.db2.gz RPXIAKILWQUGNW-UHFFFAOYSA-N 0 1 266.301 1.752 20 5 CDBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)Cn1cncn1 ZINC000595015157 343001363 /nfs/dbraw/zinc/00/13/63/343001363.db2.gz YVWIXPWAVVUESY-JTQLQIEISA-N 0 1 291.311 1.373 20 5 CDBDMN CC(C)(CC(N)=O)NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595433546 343059339 /nfs/dbraw/zinc/05/93/39/343059339.db2.gz SBAGKYGVWDMHJZ-UHFFFAOYSA-N 0 1 269.276 1.478 20 5 CDBDMN C[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])c1nnc[nH]1 ZINC000136100476 362077211 /nfs/dbraw/zinc/07/72/11/362077211.db2.gz DLTSZOUTFRYKNJ-LURJTMIESA-N 0 1 279.231 1.343 20 5 CDBDMN CC(C)CN1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000078596108 342338710 /nfs/dbraw/zinc/33/87/10/342338710.db2.gz LWIQINVJXDYGFN-UHFFFAOYSA-N 0 1 267.333 1.106 20 5 CDBDMN Cc1[nH]nc(C(=O)N2C[C@H](C)S[C@@H](C)C2)c1[N+](=O)[O-] ZINC000080946649 342361992 /nfs/dbraw/zinc/36/19/92/342361992.db2.gz SIMYDWYBOHSGQN-BQBZGAKWSA-N 0 1 284.341 1.592 20 5 CDBDMN O=C(N[C@@H]1C[C@@H]1C1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000365564569 365777064 /nfs/dbraw/zinc/77/70/64/365777064.db2.gz GBEPMAVDDXPDFS-DDHJBXDOSA-N 0 1 252.314 1.737 20 5 CDBDMN CN(Cc1cnc[nH]1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000597864568 343662000 /nfs/dbraw/zinc/66/20/00/343662000.db2.gz QHAVVQGENILGIE-UHFFFAOYSA-N 0 1 288.307 1.909 20 5 CDBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C1(CO)CC1 ZINC000598038374 343702189 /nfs/dbraw/zinc/70/21/89/343702189.db2.gz CCINCHXXUPAXHC-MRVPVSSYSA-N 0 1 280.280 1.191 20 5 CDBDMN Cc1[nH]nc(C(=O)N(C)CC2=CCCOC2)c1[N+](=O)[O-] ZINC000598196160 343727749 /nfs/dbraw/zinc/72/77/49/343727749.db2.gz IHRFELCHAKISLS-UHFFFAOYSA-N 0 1 280.284 1.045 20 5 CDBDMN Cc1nnc(CN(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])s1 ZINC000598506278 343820257 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YWNBXVCERXPFGT-CYBMUJFWSA-N 0 1 293.279 1.976 20 5 CDBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC2(CC(O)C2)C1 ZINC001254550523 947522407 /nfs/dbraw/zinc/52/24/07/947522407.db2.gz LAEZQXYGZNWZGL-NSHDSACASA-N 0 1 276.336 1.983 20 5 CDBDMN O=[N+]([O-])c1cc(O)cc(-c2nnc([C@@H]3CCOC3)o2)c1 ZINC001255622668 948037232 /nfs/dbraw/zinc/03/72/32/948037232.db2.gz GIFOMVSZBWDVHY-SSDOTTSWSA-N 0 1 277.236 1.854 20 5 CDBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CNCCC1=O ZINC001246295640 948087613 /nfs/dbraw/zinc/08/76/13/948087613.db2.gz URCCWINXHHNVQC-GWCFXTLKSA-N 0 1 277.324 1.046 20 5 CDBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cc(F)ccc1N(C)C ZINC001289905208 954003652 /nfs/dbraw/zinc/00/36/52/954003652.db2.gz YZNMXNNOLJFQPI-XTWCZFFVSA-N 0 1 295.314 1.734 20 5 CDBDMN O=[N+]([O-])c1ccc2oc(CNC[C@H](O)C3CC3)nc2c1 ZINC001308743183 956570726 /nfs/dbraw/zinc/57/07/26/956570726.db2.gz QYZCXUDEGDONJD-NSHDSACASA-N 0 1 277.280 1.597 20 5 CDBDMN CCc1cccc(C(=O)OC)c1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 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O=C(OCCN1CCC1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001519842587 970117085 /nfs/dbraw/zinc/11/70/85/970117085.db2.gz SWSMQGVZNUZGKD-KGLIPLIRSA-N 0 1 290.319 1.947 20 5 CDBDMN C[C@H]1[C@@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000719471420 978005558 /nfs/dbraw/zinc/00/55/58/978005558.db2.gz KOPTVEQSMWHZJW-YUMQZZPRSA-N 0 1 280.284 1.193 20 5 CDBDMN O=C(N[C@H]1CCN(C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000601016290 342458166 /nfs/dbraw/zinc/45/81/66/342458166.db2.gz JHPIFKBIFIVROM-VIFPVBQESA-N 0 1 293.298 1.700 20 5 CDBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H]3C[C@@H]3C2)c1[N+](=O)[O-] ZINC000600217926 341986205 /nfs/dbraw/zinc/98/62/05/341986205.db2.gz FHKBOSWRKKQZIF-OCAPTIKFSA-N 0 1 264.285 1.533 20 5 CDBDMN CC(C)c1nc(CNc2cccnc2[N+](=O)[O-])n[nH]1 ZINC000590709594 342585464 /nfs/dbraw/zinc/58/54/64/342585464.db2.gz XZMFHDDPPXSJEV-UHFFFAOYSA-N 0 1 262.273 1.843 20 5 CDBDMN Nc1c(-c2nc([C@H]3CCCN3)no2)cc(F)cc1[N+](=O)[O-] ZINC000592356608 342687901 /nfs/dbraw/zinc/68/79/01/342687901.db2.gz AKLRTFPVFVLMRV-MRVPVSSYSA-N 0 1 293.258 1.791 20 5 CDBDMN Cc1nn(C)c(-c2nc([C@@H]3CCCN3)no2)c1[N+](=O)[O-] ZINC000592356982 342688280 /nfs/dbraw/zinc/68/82/80/342688280.db2.gz OKVGSRKCPRVTBU-ZETCQYMHSA-N 0 1 278.272 1.111 20 5 CDBDMN Nc1ccc(-c2nc([C@H]3CCCN3)no2)cc1[N+](=O)[O-] ZINC000592357664 342688297 /nfs/dbraw/zinc/68/82/97/342688297.db2.gz INRXTPNLFPEQJS-SECBINFHSA-N 0 1 275.268 1.652 20 5 CDBDMN CC[C@@H](C)C[C@H](CO)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000592868586 342745968 /nfs/dbraw/zinc/74/59/68/342745968.db2.gz ADICQPIXPOBRNL-MWLCHTKSSA-N 0 1 296.323 1.827 20 5 CDBDMN O=c1[nH]nc(Cn2cc([N+](=O)[O-])c(C3CC3)n2)s1 ZINC000593423012 342800477 /nfs/dbraw/zinc/80/04/77/342800477.db2.gz RXGKEWQZRDGZAG-UHFFFAOYSA-N 0 1 267.270 1.274 20 5 CDBDMN O=C([O-])[C@H]1CSCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000215584899 342268671 /nfs/dbraw/zinc/26/86/71/342268671.db2.gz BDKINPDMQCTJES-GFCCVEGCSA-N 0 1 296.348 1.639 20 5 CDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC([C@H]2CCOC2)C1 ZINC000619423071 349696173 /nfs/dbraw/zinc/69/61/73/349696173.db2.gz SCIWWKFWYZABAI-VIFPVBQESA-N 0 1 292.291 1.409 20 5 CDBDMN C[C@H]1C[C@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000166817579 362078721 /nfs/dbraw/zinc/07/87/21/362078721.db2.gz OMIIHPFQQNURKV-DTWKUNHWSA-N 0 1 294.311 1.583 20 5 CDBDMN Cc1ccnc(N2CCC(c3nc[nH]n3)CC2)c1[N+](=O)[O-] ZINC000081036800 342363323 /nfs/dbraw/zinc/36/33/23/342363323.db2.gz VXFNGTBGYGTIBQ-UHFFFAOYSA-N 0 1 288.311 1.800 20 5 CDBDMN O=[N+]([O-])c1cnc(NC[C@@H]2CCN2Cc2ccccc2)nc1 ZINC000596557290 343342457 /nfs/dbraw/zinc/34/24/57/343342457.db2.gz GHUOBHCVHHIYLC-ZDUSSCGKSA-N 0 1 299.334 1.493 20 5 CDBDMN CN(C)C1(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000597199684 343471455 /nfs/dbraw/zinc/47/14/55/343471455.db2.gz NEUTVILSDOEVLS-UHFFFAOYSA-N 0 1 293.323 1.184 20 5 CDBDMN C[C@@H](O)C1(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000598385876 343782534 /nfs/dbraw/zinc/78/25/34/343782534.db2.gz LNBOMBBTDPVOFS-SSDOTTSWSA-N 0 1 290.279 1.114 20 5 CDBDMN Cc1cccc(NC[C@H]2COCCN2)c1[N+](=O)[O-] ZINC000235897852 362321686 /nfs/dbraw/zinc/32/16/86/362321686.db2.gz SFTKRHFBPJSVJX-JTQLQIEISA-N 0 1 251.286 1.304 20 5 CDBDMN CC[C@H]1CN(c2ccc([N+](=O)[O-])cn2)CCN1C[C@H](C)O ZINC000264370086 365800460 /nfs/dbraw/zinc/80/04/60/365800460.db2.gz WQTZKFIWHRWIFD-RYUDHWBXSA-N 0 1 294.355 1.271 20 5 CDBDMN Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](CCO)CC1 ZINC000602846133 344624041 /nfs/dbraw/zinc/62/40/41/344624041.db2.gz NAOBDKCAUBJWBA-CYBMUJFWSA-N 0 1 296.371 1.584 20 5 CDBDMN Cc1c(CN2C[C@H](O)C[C@@]2(C)CO)cccc1[N+](=O)[O-] ZINC000602907221 344644369 /nfs/dbraw/zinc/64/43/69/344644369.db2.gz LIWAEOXVWWBBSS-OCCSQVGLSA-N 0 1 280.324 1.221 20 5 CDBDMN C[C@@H]1C[C@@H](CCNC(=O)c2n[nH]cc2[N+](=O)[O-])CCO1 ZINC000273239159 192084888 /nfs/dbraw/zinc/08/48/88/192084888.db2.gz WMOGXCNVRPWDAG-BDAKNGLRSA-N 0 1 282.300 1.253 20 5 CDBDMN Cc1ccc([C@@H](C)NCc2c[nH]nn2)cc1[N+](=O)[O-] ZINC000283664692 362538883 /nfs/dbraw/zinc/53/88/83/362538883.db2.gz DKJAXXCTGSQECK-SECBINFHSA-N 0 1 261.285 1.872 20 5 CDBDMN Cc1[nH]nc(C(=O)N2CC(C)(C)OCC2(C)C)c1[N+](=O)[O-] ZINC000609663478 345987225 /nfs/dbraw/zinc/98/72/25/345987225.db2.gz AMUBKNQBSPYEDY-UHFFFAOYSA-N 0 1 296.327 1.656 20 5 CDBDMN O=[N+]([O-])c1ccc(N2CCN([C@H]3CCC[C@H]3O)CC2)cn1 ZINC000609797240 346001092 /nfs/dbraw/zinc/00/10/92/346001092.db2.gz XEFPGXQNOUWBMS-QWHCGFSZSA-N 0 1 292.339 1.025 20 5 CDBDMN CC1(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)COC1 ZINC000610367509 346264314 /nfs/dbraw/zinc/26/43/14/346264314.db2.gz WCUKFQMOWRSAKD-UHFFFAOYSA-N 0 1 292.339 1.148 20 5 CDBDMN O=[N+]([O-])c1sccc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000610541858 346307823 /nfs/dbraw/zinc/30/78/23/346307823.db2.gz FLZDBYWLKGAXRT-LLVKDONJSA-N 0 1 297.380 1.815 20 5 CDBDMN O=[N+]([O-])c1ccccc1N1CCN(CC2(O)CCC2)CC1 ZINC000610705954 346365605 /nfs/dbraw/zinc/36/56/05/346365605.db2.gz STALNGUTCSDOIM-UHFFFAOYSA-N 0 1 291.351 1.632 20 5 CDBDMN COCCCN(C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611265570 346726876 /nfs/dbraw/zinc/72/68/76/346726876.db2.gz FSTKRMFTWCCUHO-UHFFFAOYSA-N 0 1 296.323 1.834 20 5 CDBDMN Cc1cnc(N2CCN(C)[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000611299104 346740905 /nfs/dbraw/zinc/74/09/05/346740905.db2.gz OAHJPMUUPFPWNU-WDEREUQCSA-N 0 1 264.329 1.827 20 5 CDBDMN CO[C@@H](C)CS(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000295149809 199373200 /nfs/dbraw/zinc/37/32/00/199373200.db2.gz FCAPJKVJJSJUMZ-VIFPVBQESA-N 0 1 288.325 1.680 20 5 CDBDMN CC(C)[N@@H+](C)CCCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000273385800 192133715 /nfs/dbraw/zinc/13/37/15/192133715.db2.gz NPURJVYPMYBMBP-UHFFFAOYSA-N 0 1 295.339 1.761 20 5 CDBDMN COC[C@H](C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000619783180 350848057 /nfs/dbraw/zinc/84/80/57/350848057.db2.gz OEBOHDJNLIBYBN-QMMMGPOBSA-N 0 1 265.269 1.861 20 5 CDBDMN COCCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000123649241 187102812 /nfs/dbraw/zinc/10/28/12/187102812.db2.gz ZTYOKVNSFNWWGC-UHFFFAOYSA-N 0 1 292.288 1.049 20 5 CDBDMN CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000291961776 198118330 /nfs/dbraw/zinc/11/83/30/198118330.db2.gz RKSTZLLHDUTCKT-SECBINFHSA-N 0 1 296.327 1.154 20 5 CDBDMN CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000291961776 198118332 /nfs/dbraw/zinc/11/83/32/198118332.db2.gz RKSTZLLHDUTCKT-SECBINFHSA-N 0 1 296.327 1.154 20 5 CDBDMN CCCc1[nH]nc(C(=O)N2CCC[C@](C)(O)C2)c1[N+](=O)[O-] ZINC000152772473 188042449 /nfs/dbraw/zinc/04/24/49/188042449.db2.gz HVVPCZJJWNSALC-ZDUSSCGKSA-N 0 1 296.327 1.257 20 5 CDBDMN C[C@H]1C[C@@H](O)CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000292427913 198284747 /nfs/dbraw/zinc/28/47/47/198284747.db2.gz NINOMCNBHKILCQ-LEWSCRJBSA-N 0 1 280.324 1.473 20 5 CDBDMN COCCC1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCC1 ZINC000154842183 188165036 /nfs/dbraw/zinc/16/50/36/188165036.db2.gz GECYLAZGLYXKEA-UHFFFAOYSA-N 0 1 282.300 1.255 20 5 CDBDMN CN(C)CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000155712403 188223350 /nfs/dbraw/zinc/22/33/50/188223350.db2.gz KNLMUDHERZQFBL-UHFFFAOYSA-N 0 1 279.340 1.595 20 5 CDBDMN O=[N+]([O-])c1cccc(NS(=O)(=O)C[C@H]2CCCO2)c1 ZINC000171802708 188760568 /nfs/dbraw/zinc/76/05/68/188760568.db2.gz JUZJWYZQTCIVMH-LLVKDONJSA-N 0 1 286.309 1.516 20 5 CDBDMN CC[C@@H](C)N(CCO)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000287389203 358493499 /nfs/dbraw/zinc/49/34/99/358493499.db2.gz NIWZYKXQNNXTOR-LLVKDONJSA-N 0 1 295.339 1.626 20 5 CDBDMN C[C@H](NCC(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000134892415 356448610 /nfs/dbraw/zinc/44/86/10/356448610.db2.gz UNWKFXPMOJQORA-NSHDSACASA-N 0 1 277.324 1.868 20 5 CDBDMN O=C(NCc1cnc[nH]1)c1ccc(F)cc1[N+](=O)[O-] ZINC000135015220 357072808 /nfs/dbraw/zinc/07/28/08/357072808.db2.gz UMOXFNQSOGJAKX-UHFFFAOYSA-N 0 1 264.216 1.387 20 5 CDBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000290673732 357256805 /nfs/dbraw/zinc/25/68/05/357256805.db2.gz PPOGSDSPSQHKDX-SNVBAGLBSA-N 0 1 278.312 1.889 20 5 CDBDMN Cc1cc(C(=O)N2C[C@H](C)N[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000135230216 357799494 /nfs/dbraw/zinc/79/94/94/357799494.db2.gz HYLYGUVHHJCCDA-QWRGUYRKSA-N 0 1 277.324 1.726 20 5 CDBDMN CCc1[nH]nc(C(=O)N(C)C[C@H]2CCCCO2)c1[N+](=O)[O-] ZINC000264698970 358109959 /nfs/dbraw/zinc/10/99/59/358109959.db2.gz VZJURFRGFNYFIL-SECBINFHSA-N 0 1 296.327 1.521 20 5 CDBDMN C[C@@H](CNc1cc(N)ccc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000193406830 358292772 /nfs/dbraw/zinc/29/27/72/358292772.db2.gz OISHBNVHHZDSIP-NSHDSACASA-N 0 1 293.371 1.225 20 5 CDBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@]12C[C@H]1CCC2 ZINC000594805694 358630261 /nfs/dbraw/zinc/63/02/61/358630261.db2.gz UXPVVGVUYYYQIV-LDYMZIIASA-N 0 1 283.309 1.211 20 5 CDBDMN COc1cc(CN[C@H]2C[C@@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000294948298 199266252 /nfs/dbraw/zinc/26/62/52/199266252.db2.gz VTDGYJOUQHBIGP-AOOOYVTPSA-N 0 1 282.296 1.225 20 5 CDBDMN C[C@H]1CCCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000072874669 358797414 /nfs/dbraw/zinc/79/74/14/358797414.db2.gz QYVQDESETVCSNA-NSHDSACASA-N 0 1 289.335 1.968 20 5 CDBDMN CCCc1[nH]nc(C(=O)N(C)[C@H]2CCCOC2)c1[N+](=O)[O-] ZINC000341147576 366509430 /nfs/dbraw/zinc/50/94/30/366509430.db2.gz RVTXVKINKIICEF-VIFPVBQESA-N 0 1 296.327 1.521 20 5 CDBDMN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000342467665 359063538 /nfs/dbraw/zinc/06/35/38/359063538.db2.gz RLJYCAQVQNHQHD-SCZZXKLOSA-N 0 1 295.364 1.869 20 5 CDBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000339084911 359286025 /nfs/dbraw/zinc/28/60/25/359286025.db2.gz RXLXWTBYDKBION-DUFXMDAXSA-N 0 1 278.308 1.503 20 5 CDBDMN COC(=O)[C@H]1CCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338996624 359268510 /nfs/dbraw/zinc/26/85/10/359268510.db2.gz NULBSNRVPDATHS-GFCCVEGCSA-N 0 1 280.280 1.438 20 5 CDBDMN C[C@H]1C[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1O ZINC000339061702 359283331 /nfs/dbraw/zinc/28/33/31/359283331.db2.gz PHSQRDIHABAIPA-UFBFGSQYSA-N 0 1 252.270 1.113 20 5 CDBDMN Cc1ccc([C@H](C)N[C@@H]2CCCNC2=O)cc1[N+](=O)[O-] ZINC000050394695 359439783 /nfs/dbraw/zinc/43/97/83/359439783.db2.gz OAZBVFZZZHWIAL-CMPLNLGQSA-N 0 1 277.324 1.832 20 5 CDBDMN CN1CCN(C)[C@@H](CNc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000228417380 360255893 /nfs/dbraw/zinc/25/58/93/360255893.db2.gz HSSYIABAYDFXLR-NSHDSACASA-N 0 1 298.774 1.906 20 5 CDBDMN Cc1ccc([C@H](C)NC(=O)c2cnn[nH]2)cc1[N+](=O)[O-] ZINC000177866418 189075331 /nfs/dbraw/zinc/07/53/31/189075331.db2.gz JTVJKJIEMPVXMO-QMMMGPOBSA-N 0 1 275.268 1.512 20 5 CDBDMN C[C@H](C(=O)N=c1ccc(=O)[n-][nH]1)c1cccc([N+](=O)[O-])c1 ZINC000572557572 361210364 /nfs/dbraw/zinc/21/03/64/361210364.db2.gz MWADVHGBRUPPHD-QMMMGPOBSA-N 0 1 288.263 1.255 20 5 CDBDMN C[C@H](CC(=O)[O-])[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000580726478 363935377 /nfs/dbraw/zinc/93/53/77/363935377.db2.gz UUAIWLSCVYFJOY-SECBINFHSA-N 0 1 252.270 1.890 20 5 CDBDMN C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCN1 ZINC000088059219 364049539 /nfs/dbraw/zinc/04/95/39/364049539.db2.gz LRVLXEYYBVFNGH-MRVPVSSYSA-N 0 1 283.715 1.682 20 5 CDBDMN CCC(CC)(CNC(=O)c1n[nH]cc1[N+](=O)[O-])SC ZINC000270846490 366937497 /nfs/dbraw/zinc/93/74/97/366937497.db2.gz WKJDLLIGZONTKO-UHFFFAOYSA-N 0 1 286.357 1.970 20 5 CDBDMN CC(C)c1nnc([C@@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])[nH]1 ZINC000271008576 366954282 /nfs/dbraw/zinc/95/42/82/366954282.db2.gz YZCZRAKGGTZJBT-ZCFIWIBFSA-N 0 1 293.287 1.050 20 5 CDBDMN CC(C)c1nc([C@@H](C)NC(=O)c2[nH]ncc2[N+](=O)[O-])n[nH]1 ZINC000271008576 366954289 /nfs/dbraw/zinc/95/42/89/366954289.db2.gz YZCZRAKGGTZJBT-ZCFIWIBFSA-N 0 1 293.287 1.050 20 5 CDBDMN COC[C@@H]1C[C@H](O)CN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000414496340 241232891 /nfs/dbraw/zinc/23/28/91/241232891.db2.gz YPGCNCQWNMGHQT-WFVZMWEJSA-N 0 1 292.335 1.690 20 5 CDBDMN Cc1ccc(NC(=O)CCc2nc[nH]n2)cc1[N+](=O)[O-] ZINC000075105595 367018272 /nfs/dbraw/zinc/01/82/72/367018272.db2.gz HYGGMHJLAJADAU-UHFFFAOYSA-N 0 1 275.268 1.593 20 5 CDBDMN Cc1n[nH]c(C(=O)N(C)CCc2ccccn2)c1[N+](=O)[O-] ZINC000299585610 367580861 /nfs/dbraw/zinc/58/08/61/367580861.db2.gz YMZMBJQYWVZYAI-UHFFFAOYSA-N 0 1 289.295 1.336 20 5 CDBDMN O=C(N[C@@H]1CCCOCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272628918 367784349 /nfs/dbraw/zinc/78/43/49/367784349.db2.gz ZUXOYUSTQYJINW-SNVBAGLBSA-N 0 1 280.280 1.599 20 5 CDBDMN O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000122831739 367815181 /nfs/dbraw/zinc/81/51/81/367815181.db2.gz ONMXUWXYEPIYAE-NXEZZACHSA-N 0 1 290.254 1.743 20 5 CDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(CO)CC1 ZINC000272707289 367801669 /nfs/dbraw/zinc/80/16/69/367801669.db2.gz WLXSSDNHABBXQO-UHFFFAOYSA-N 0 1 280.280 1.145 20 5 CDBDMN O=C(N[C@@H]1CCCc2cn[nH]c21)c1ccc([N+](=O)[O-])[nH]1 ZINC000269033167 284044122 /nfs/dbraw/zinc/04/41/22/284044122.db2.gz XCIZNVMSBZCVOA-MRVPVSSYSA-N 0 1 275.268 1.453 20 5 CDBDMN C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H](C)N1C ZINC000330793527 203243925 /nfs/dbraw/zinc/24/39/25/203243925.db2.gz VLWJAMMMTKBDDA-TXEJJXNPSA-N 0 1 291.351 1.688 20 5 CDBDMN CCC(CC)[C@@H](CCNC(=O)c1n[nH]cc1[N+](=O)[O-])OC ZINC000344624210 369501205 /nfs/dbraw/zinc/50/12/05/369501205.db2.gz ADDLYZAKWYGDJQ-LLVKDONJSA-N 0 1 298.343 1.889 20 5 CDBDMN C[C@@]1(F)C[NH2+]CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000295198943 369622114 /nfs/dbraw/zinc/62/21/14/369622114.db2.gz JXWAKWQSYZKVBL-CYBMUJFWSA-N 0 1 297.286 1.074 20 5 CDBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2ccon2)c1[N+](=O)[O-] ZINC000269542830 370588232 /nfs/dbraw/zinc/58/82/32/370588232.db2.gz VRALXHWOONFECQ-UHFFFAOYSA-N 0 1 293.283 1.702 20 5 CDBDMN Cc1cc(NCCN2CCC(O)CC2)ncc1[N+](=O)[O-] ZINC000296008894 371107253 /nfs/dbraw/zinc/10/72/53/371107253.db2.gz NJALJZUNIBUNAX-UHFFFAOYSA-N 0 1 280.328 1.167 20 5 CDBDMN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000332009055 204386023 /nfs/dbraw/zinc/38/60/23/204386023.db2.gz REMGHCYJIAFOQM-ZJUUUORDSA-N 0 1 293.327 1.017 20 5 CDBDMN CCN(Cc1cnn(C)c1)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000299604947 372677213 /nfs/dbraw/zinc/67/72/13/372677213.db2.gz 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CDBDMN O=C(Nc1nc(Cl)ccc1O)c1c[nH]nc1[N+](=O)[O-] ZINC000807368059 823885282 /nfs/dbraw/zinc/88/52/82/823885282.db2.gz FNVLESXMMZJKLI-UHFFFAOYSA-N 0 1 283.631 1.324 20 5 CDBDMN C[C@H]1CCC[N@H+]1CCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000783915200 824183720 /nfs/dbraw/zinc/18/37/20/824183720.db2.gz DUDMBCJPFNXEIY-JTQLQIEISA-N 0 1 293.323 1.515 20 5 CDBDMN C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839704798 824194432 /nfs/dbraw/zinc/19/44/32/824194432.db2.gz BNWPCXLIMYZMEQ-STRQVWJDSA-N 0 1 296.298 1.419 20 5 CDBDMN O=[N+]([O-])c1ncccc1CN1CCC[C@H]1CCO ZINC000886146741 824306480 /nfs/dbraw/zinc/30/64/80/824306480.db2.gz BEVJEMMJVZPWJX-NSHDSACASA-N 0 1 251.286 1.337 20 5 CDBDMN COC1CCN(CCNc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000882065189 824398250 /nfs/dbraw/zinc/39/82/50/824398250.db2.gz BZADBFAZESTFMM-UHFFFAOYSA-N 0 1 298.318 1.652 20 5 CDBDMN C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H](C)O1 ZINC000839761652 824401378 /nfs/dbraw/zinc/40/13/78/824401378.db2.gz QIHMYXYLTXHALV-IYKVGLELSA-N 0 1 270.329 1.362 20 5 CDBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])C1=COCC1 ZINC000837524817 824411787 /nfs/dbraw/zinc/41/17/87/824411787.db2.gz UGSXNPMWXRRQPC-UHFFFAOYSA-N 0 1 265.221 1.648 20 5 CDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCc2cccc(F)c2C1 ZINC000839716324 824612852 /nfs/dbraw/zinc/61/28/52/824612852.db2.gz ANTDIRDRGOSJBX-BXKDBHETSA-N 0 1 264.256 1.376 20 5 CDBDMN O=C(N[C@@H]1C[C@@H]1Cc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839691798 824685157 /nfs/dbraw/zinc/68/51/57/824685157.db2.gz PCLZSANUZUIJNE-UMSGYPCISA-N 0 1 260.293 1.399 20 5 CDBDMN O=[N+]([O-])c1ccc(N2CC[N@H+]3CC[C@H]2C3)c(F)c1 ZINC000858557354 828718186 /nfs/dbraw/zinc/71/81/86/828718186.db2.gz MNUQVKZDCIPCIS-JTQLQIEISA-N 0 1 251.261 1.628 20 5 CDBDMN C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])Cc2ccccc21 ZINC000840241967 824941217 /nfs/dbraw/zinc/94/12/17/824941217.db2.gz PESSFTSXEURSGN-ZWKOPEQDSA-N 0 1 260.293 1.798 20 5 CDBDMN O=C(OCc1cc(C2CC2)no1)[C@@H]1CC1[N+](=O)[O-] ZINC000849806328 824980344 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Cn1cc(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c2ccccc21 ZINC000855789353 825507610 /nfs/dbraw/zinc/50/76/10/825507610.db2.gz IZSVDXDVKMGIFH-TZMCWYRMSA-N 0 1 287.319 1.502 20 5 CDBDMN Cc1ccsc1CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839718049 825605195 /nfs/dbraw/zinc/60/51/95/825605195.db2.gz NSKNNUMIPACUJA-RKDXNWHRSA-N 0 1 254.311 1.380 20 5 CDBDMN CO[C@]1(C)C[C@H](N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1(C)C ZINC000839698497 825617093 /nfs/dbraw/zinc/61/70/93/825617093.db2.gz FSLPVFRSZVPUFB-ORXSELOVSA-N 0 1 270.329 1.314 20 5 CDBDMN CCC(=O)c1ccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])c(F)c1 ZINC000841150539 825725233 /nfs/dbraw/zinc/72/52/33/825725233.db2.gz CXEKQFCMCOCENA-PSASIEDQSA-N 0 1 281.239 1.989 20 5 CDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC(c2cccc(Cl)c2)C1 ZINC000839785321 825944233 /nfs/dbraw/zinc/94/42/33/825944233.db2.gz VVGVWNFXWBFUND-VXGBXAGGSA-N 0 1 280.711 1.931 20 5 CDBDMN CCCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839725587 826140948 /nfs/dbraw/zinc/14/09/48/826140948.db2.gz JZYRDVPWNGBHJG-NXEZZACHSA-N 0 1 286.328 1.232 20 5 CDBDMN CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC(F)(F)CC1 ZINC000840422147 826334311 /nfs/dbraw/zinc/33/43/11/826334311.db2.gz AEMKDFOINYALDW-HTQZYQBOSA-N 0 1 262.256 1.736 20 5 CDBDMN C[C@@H]1CCCC[C@H]1N(C)C(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673424 826385597 /nfs/dbraw/zinc/38/55/97/826385597.db2.gz YQTMMHJVRSSAGY-DDHJBXDOSA-N 0 1 298.339 1.232 20 5 CDBDMN C[C@@H](CO)C1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886267319 826867538 /nfs/dbraw/zinc/86/75/38/826867538.db2.gz KOMMODGVBWKHOG-NSHDSACASA-N 0 1 279.340 1.830 20 5 CDBDMN CCC[C@H](C)NC(=O)[C@@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000791054213 827337223 /nfs/dbraw/zinc/33/72/23/827337223.db2.gz YSLYYYOWNITHDJ-NWDGAFQWSA-N 0 1 271.361 1.280 20 5 CDBDMN C[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])Oc1cccc(Cl)c1 ZINC000839694148 827385775 /nfs/dbraw/zinc/38/57/75/827385775.db2.gz ZDSPEGNNFCUZNT-GGZOMVNGSA-N 0 1 298.726 1.889 20 5 CDBDMN C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000839697830 827637862 /nfs/dbraw/zinc/63/78/62/827637862.db2.gz VPDYOQDMCLTEJV-WKSBVSIWSA-N 0 1 260.293 1.871 20 5 CDBDMN CO[C@@H]1CCOC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000724883871 827946721 /nfs/dbraw/zinc/94/67/21/827946721.db2.gz TXCAVTVTNWWSLI-DGCLKSJQSA-N 0 1 266.297 1.488 20 5 CDBDMN COc1ccccc1[C@@H](C)N(OC)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000855127641 828056992 /nfs/dbraw/zinc/05/69/92/828056992.db2.gz UBPCJBOLSQCPIO-YUSALJHKSA-N 0 1 294.307 1.811 20 5 CDBDMN CCC[C@H]1CNCCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000843454227 828097607 /nfs/dbraw/zinc/09/76/07/828097607.db2.gz PQMLWLBCTKZRTA-NSHDSACASA-N 0 1 295.314 1.948 20 5 CDBDMN COc1cc(NCCN2CCSCC2)cnc1[N+](=O)[O-] ZINC001167837241 901267680 /nfs/dbraw/zinc/26/76/80/901267680.db2.gz NKRJKWGHKVMXSY-UHFFFAOYSA-N 0 1 298.368 1.459 20 5 CDBDMN Cc1cnc(CN[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)nc1 ZINC001168963954 927587606 /nfs/dbraw/zinc/58/76/06/927587606.db2.gz QVTNTPJXQHCFFD-GHMZBOCLSA-N 0 1 250.302 1.320 20 5 CDBDMN C[C@@]1(O)CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1F ZINC001169011301 927616589 /nfs/dbraw/zinc/61/65/89/927616589.db2.gz JOOZYANFTGECEY-WHOHXGKFSA-N 0 1 260.309 1.227 20 5 CDBDMN Cc1cc(C[N@@H+](C)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)n(C)n1 ZINC001169027496 927632658 /nfs/dbraw/zinc/63/26/58/927632658.db2.gz QJACGIQJWIVYAD-NWDGAFQWSA-N 0 1 266.345 1.606 20 5 CDBDMN COCc1nn([C@H]2CC[C@H](C[N+](=O)[O-])C2)c2c1CNC2 ZINC001169022757 927664253 /nfs/dbraw/zinc/66/42/53/927664253.db2.gz SMHIUNJJLIVLFV-UWVGGRQHSA-N 0 1 280.328 1.251 20 5 CDBDMN CN(Cc1cc(F)cc(F)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001117940083 937571861 /nfs/dbraw/zinc/57/18/61/937571861.db2.gz ZVCUXGZQNDZBHV-GHMZBOCLSA-N 0 1 270.235 1.588 20 5 CDBDMN COc1cc(C)nc(N[C@H]2CN3CCC2CC3)c1[N+](=O)[O-] ZINC001155663172 937661646 /nfs/dbraw/zinc/66/16/46/937661646.db2.gz YLOSWHKAYHSODD-NSHDSACASA-N 0 1 292.339 1.813 20 5 CDBDMN C[C@H]1CN(CC[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000930720862 933435255 /nfs/dbraw/zinc/43/52/55/933435255.db2.gz 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C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001326846371 954587321 /nfs/dbraw/zinc/58/73/21/954587321.db2.gz YLFYOKLLDIZHKT-ICCXJUOJSA-N 0 1 294.307 1.423 20 5 CDBDMN Cc1nnc(SCc2onc(C)c2[N+](=O)[O-])[nH]1 ZINC001327951929 955127921 /nfs/dbraw/zinc/12/79/21/955127921.db2.gz NNMONYSLXDTGQF-UHFFFAOYSA-N 0 1 255.259 1.610 20 5 CDBDMN Cc1n[nH]c(SCc2onc(C)c2[N+](=O)[O-])n1 ZINC001327951929 955127931 /nfs/dbraw/zinc/12/79/31/955127931.db2.gz NNMONYSLXDTGQF-UHFFFAOYSA-N 0 1 255.259 1.610 20 5 CDBDMN C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])C1=NN(C)CC1=O ZINC001304544205 956201313 /nfs/dbraw/zinc/20/13/13/956201313.db2.gz IEWPTLACWAPEIL-QMMMGPOBSA-N 0 1 290.279 1.525 20 5 CDBDMN O=C(CN1CCCC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001332454392 957571570 /nfs/dbraw/zinc/57/15/70/957571570.db2.gz LCDXJGNFTNPJEB-UHFFFAOYSA-N 0 1 275.308 1.533 20 5 CDBDMN CS[C@@H]1CC[C@H](N(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC001318809476 958273726 /nfs/dbraw/zinc/27/37/26/958273726.db2.gz 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199284427 /nfs/dbraw/zinc/28/44/27/199284427.db2.gz PPQQSQLHUSWYAS-UHFFFAOYSA-N 0 1 274.284 1.785 20 5 CDBDMN C[C@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)[C@@H](C)CN1C ZINC000596177814 343261627 /nfs/dbraw/zinc/26/16/27/343261627.db2.gz HCMMVOCOGUYTTF-IUCAKERBSA-N 0 1 265.317 1.101 20 5 CDBDMN C[C@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000596255702 343275923 /nfs/dbraw/zinc/27/59/23/343275923.db2.gz QVXBBSQLXCGWAT-SNVBAGLBSA-N 0 1 292.339 1.616 20 5 CDBDMN CC[C@@H](CSC)N(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000091150587 342400353 /nfs/dbraw/zinc/40/03/53/342400353.db2.gz PUPZOKCRHUPPFD-QMMMGPOBSA-N 0 1 286.357 1.840 20 5 CDBDMN Cc1ncc([N+](=O)[O-])n1CCN1CC=C(C)CC1 ZINC000602794839 344585899 /nfs/dbraw/zinc/58/58/99/344585899.db2.gz KNRUQBRVSAQQLV-UHFFFAOYSA-N 0 1 250.302 1.752 20 5 CDBDMN CN[C@@H](C)c1cn(Cc2ccc([N+](=O)[O-])cc2F)nn1 ZINC000313522182 344907272 /nfs/dbraw/zinc/90/72/72/344907272.db2.gz OBURYIROSFZRHT-QMMMGPOBSA-N 0 1 279.275 1.654 20 5 CDBDMN 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CCc1n[nH]c(NC(=O)COc2ccc([N+](=O)[O-])cc2)n1 ZINC000123242045 374045415 /nfs/dbraw/zinc/04/54/15/374045415.db2.gz VYLQIDKHGCRJTP-UHFFFAOYSA-N 0 1 291.267 1.293 20 5 CDBDMN CCc1nc(NC(=O)c2cccc(C)c2[N+](=O)[O-])n[nH]1 ZINC000123316485 374161881 /nfs/dbraw/zinc/16/18/81/374161881.db2.gz CGFLDNDDEZXULB-UHFFFAOYSA-N 0 1 275.268 1.836 20 5 CDBDMN CCc1n[nH]c(NC(=O)c2cccc(C)c2[N+](=O)[O-])n1 ZINC000123316485 374161888 /nfs/dbraw/zinc/16/18/88/374161888.db2.gz CGFLDNDDEZXULB-UHFFFAOYSA-N 0 1 275.268 1.836 20 5 CDBDMN CC1(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000311685041 374263240 /nfs/dbraw/zinc/26/32/40/374263240.db2.gz JUXKUOGJZYJELY-UHFFFAOYSA-N 0 1 288.300 1.812 20 5 CDBDMN CN1CCN(C)[C@@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000225344534 374243233 /nfs/dbraw/zinc/24/32/33/374243233.db2.gz HTNHYVATJSTLFI-NSHDSACASA-N 0 1 298.774 1.906 20 5 CDBDMN CCc1[nH]nc(C(=O)N2C[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000294008643 375621806 /nfs/dbraw/zinc/62/18/06/375621806.db2.gz INALXMPABWXKFL-BQBZGAKWSA-N 0 1 252.274 1.361 20 5 CDBDMN CC(C)(CO)C(C)(C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000357726076 375929848 /nfs/dbraw/zinc/92/98/48/375929848.db2.gz FTUVRLJJOOZFMB-UHFFFAOYSA-N 0 1 296.323 1.827 20 5 CDBDMN Cc1cc(OCC(=O)NCc2cnc[nH]2)ccc1[N+](=O)[O-] ZINC000435708388 248188173 /nfs/dbraw/zinc/18/81/73/248188173.db2.gz YWYLAXNYYDIJFM-UHFFFAOYSA-N 0 1 290.279 1.322 20 5 CDBDMN CN(C(=O)c1csc([N+](=O)[O-])c1)[C@H]1CCCN(C)C1 ZINC000172755881 377733938 /nfs/dbraw/zinc/73/39/38/377733938.db2.gz ROAUYSDRMDALDV-JTQLQIEISA-N 0 1 283.353 1.823 20 5 CDBDMN CC(C)(C)C1CCN(NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000278576615 194051406 /nfs/dbraw/zinc/05/14/06/194051406.db2.gz JBVUQAFKBPMQMA-UHFFFAOYSA-N 0 1 295.343 1.721 20 5 CDBDMN CC(C)[C@@H](CO)[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(C)C ZINC000453004274 252244894 /nfs/dbraw/zinc/24/48/94/252244894.db2.gz ZBUBNOIUPGDQDK-MWLCHTKSSA-N 0 1 298.343 1.337 20 5 CDBDMN CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CCN1C ZINC000490296194 253033461 /nfs/dbraw/zinc/03/34/61/253033461.db2.gz DCJYZCMJOKPROA-LLVKDONJSA-N 0 1 280.328 1.335 20 5 CDBDMN O=[N+]([O-])c1ccccc1CN1CCc2n[nH]nc2C1 ZINC000351595222 285160867 /nfs/dbraw/zinc/16/08/67/285160867.db2.gz JQLLYIDHSPXMMC-UHFFFAOYSA-N 0 1 259.269 1.271 20 5 CDBDMN O=[N+]([O-])c1cccnc1N1CCN(CCCCF)CC1 ZINC000298053046 285165913 /nfs/dbraw/zinc/16/59/13/285165913.db2.gz IYXXWKISCPSHNX-UHFFFAOYSA-N 0 1 282.319 1.862 20 5 CDBDMN O=[N+]([O-])c1cccnc1N1CCN(CC2CCC2)CC1 ZINC000298160166 285165839 /nfs/dbraw/zinc/16/58/39/285165839.db2.gz SKZBUJFXXMZLDT-UHFFFAOYSA-N 0 1 276.340 1.912 20 5 CDBDMN CN(C)C1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000342139580 130297671 /nfs/dbraw/zinc/29/76/71/130297671.db2.gz ZKPYHHPGJYDWGR-UHFFFAOYSA-N 0 1 281.287 1.049 20 5 CDBDMN C[C@H](N[C@H]1CCN(C)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000178657920 391806492 /nfs/dbraw/zinc/80/64/92/391806492.db2.gz AHAUNYWSHLGNCH-CABZTGNLSA-N 0 1 263.297 1.476 20 5 CDBDMN COC(=O)N1CC(N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000496746026 391926468 /nfs/dbraw/zinc/92/64/68/391926468.db2.gz QPFFRAPZSRREOP-GFCCVEGCSA-N 0 1 291.307 1.622 20 5 CDBDMN O=C(CNC/C=C/c1ccccc1[N+](=O)[O-])NC1CC1 ZINC000263822787 131339501 /nfs/dbraw/zinc/33/95/01/131339501.db2.gz QOFNTZAAZUSCFK-HWKANZROSA-N 0 1 275.308 1.476 20 5 CDBDMN CO[C@@H]1COC[C@@H]1NCc1cccc([N+](=O)[O-])c1C ZINC000459824834 392511135 /nfs/dbraw/zinc/51/11/35/392511135.db2.gz KHEPRKVWJDXXQP-WCQYABFASA-N 0 1 266.297 1.407 20 5 CDBDMN Cc1ccc([C@H](C)N[C@H]2CC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000268836148 132073760 /nfs/dbraw/zinc/07/37/60/132073760.db2.gz NQGDFGSMBWCORZ-JQWIXIFHSA-N 0 1 277.324 1.785 20 5 CDBDMN C[C@H](O)C[C@H](C)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269217653 132133960 /nfs/dbraw/zinc/13/39/60/132133960.db2.gz YWHLEGNUABJNOL-IUCAKERBSA-N 0 1 282.296 1.437 20 5 CDBDMN CCN1C[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000391634205 393150182 /nfs/dbraw/zinc/15/01/82/393150182.db2.gz MFJLWKIIUDWVQR-CMPLNLGQSA-N 0 1 277.324 1.866 20 5 CDBDMN C[C@H]1CN(CC(C)(C)O)CCN1c1ncccc1[N+](=O)[O-] ZINC000275840934 135113845 /nfs/dbraw/zinc/11/38/45/135113845.db2.gz PVDFJSQQOJBSGA-NSHDSACASA-N 0 1 294.355 1.271 20 5 CDBDMN C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1nnc[nH]1 ZINC000219647037 140167005 /nfs/dbraw/zinc/16/70/05/140167005.db2.gz DTVRLNNBJJLEJO-YFKPBYRVSA-N 0 1 268.664 1.934 20 5 CDBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCc3[nH]nnc3C2)c1 ZINC000345942225 153004177 /nfs/dbraw/zinc/00/41/77/153004177.db2.gz HYBHUMXWXRGCNA-UHFFFAOYSA-N 0 1 287.279 1.220 20 5 CDBDMN CN(CC[C@@H]1CCCO1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000346134276 153065782 /nfs/dbraw/zinc/06/57/82/153065782.db2.gz FIJQEGXWXOWULC-ZDUSSCGKSA-N 0 1 294.307 1.942 20 5 CDBDMN CC(C)[C@](C)(O)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356614345 157523739 /nfs/dbraw/zinc/52/37/39/157523739.db2.gz BHLJANIYEOFGBR-CYBMUJFWSA-N 0 1 282.296 1.437 20 5 CDBDMN O=C(NCc1cnc[nH]1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000359688172 158336918 /nfs/dbraw/zinc/33/69/18/158336918.db2.gz AFPZMFFFIKCDOG-UHFFFAOYSA-N 0 1 286.251 1.124 20 5 CDBDMN CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@H+]1C ZINC000362996017 159286515 /nfs/dbraw/zinc/28/65/15/159286515.db2.gz GXQLDSVVXKAJPX-GFCCVEGCSA-N 0 1 280.328 1.335 20 5 CDBDMN CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CCN1C ZINC000362996017 159286519 /nfs/dbraw/zinc/28/65/19/159286519.db2.gz GXQLDSVVXKAJPX-GFCCVEGCSA-N 0 1 280.328 1.335 20 5 CDBDMN CNC(=O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000037224697 173044819 /nfs/dbraw/zinc/04/48/19/173044819.db2.gz VOQKBGZZSJNCRK-SECBINFHSA-N 0 1 251.286 1.300 20 5 CDBDMN C[C@H](NCc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C ZINC000037505147 173240758 /nfs/dbraw/zinc/24/07/58/173240758.db2.gz MDVNVCIAXPTOON-VIFPVBQESA-N 0 1 251.286 1.161 20 5 CDBDMN CCOc1ccc(C(=O)N2CCNCC2)cc1[N+](=O)[O-] ZINC000076534891 177035122 /nfs/dbraw/zinc/03/51/22/177035122.db2.gz FEKKSLUBZWQEDG-UHFFFAOYSA-N 0 1 279.296 1.039 20 5 CDBDMN CCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC(C)(C)O ZINC000078738822 177379993 /nfs/dbraw/zinc/37/99/93/177379993.db2.gz WUHFCIRMZYPSGQ-UHFFFAOYSA-N 0 1 295.339 1.287 20 5 CDBDMN COc1ccc([N+](=O)[O-])c(N2CCCN(CCO)CC2)c1 ZINC000090794780 274117867 /nfs/dbraw/zinc/11/78/67/274117867.db2.gz DDQHXBZYDOFIFW-UHFFFAOYSA-N 0 1 295.339 1.108 20 5 CDBDMN CC(C)(C)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000123648090 277173529 /nfs/dbraw/zinc/17/35/29/277173529.db2.gz MUMJGXPNGRQYMR-UHFFFAOYSA-N 0 1 276.289 1.811 20 5 CDBDMN C[C@H]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC[S@]1=O ZINC000339125773 278368236 /nfs/dbraw/zinc/36/82/36/278368236.db2.gz RZDHLOKLJYWVMJ-FVINQWEUSA-N 0 1 298.364 1.643 20 5 CDBDMN CC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000152787169 289146420 /nfs/dbraw/zinc/14/64/20/289146420.db2.gz LEZZBDOOLIYIKY-ZETCQYMHSA-N 0 1 295.324 1.964 20 5 CDBDMN Cc1[nH]ncc1CNC(=O)C=Cc1cccc([N+](=O)[O-])c1 ZINC000255554935 289376709 /nfs/dbraw/zinc/37/67/09/289376709.db2.gz UJNDNPZTINMETP-WAYWQWQTSA-N 0 1 286.291 1.956 20 5 CDBDMN CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000554635209 290185030 /nfs/dbraw/zinc/18/50/30/290185030.db2.gz BUXCTRCWZBDSHS-SNVBAGLBSA-N 0 1 293.323 1.467 20 5 CDBDMN CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000554635209 290185032 /nfs/dbraw/zinc/18/50/32/290185032.db2.gz BUXCTRCWZBDSHS-SNVBAGLBSA-N 0 1 293.323 1.467 20 5 CDBDMN CC(C)[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C1(CO)CCC1 ZINC000554931588 290198531 /nfs/dbraw/zinc/19/85/31/290198531.db2.gz ZZGMJXCXVKEJML-LLVKDONJSA-N 0 1 296.327 1.235 20 5 CDBDMN Cn1cccc1[C@@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000361405004 294384433 /nfs/dbraw/zinc/38/44/33/294384433.db2.gz LODLDZNANCVPNV-KGYLQXTDSA-N 0 1 277.324 1.744 20 5 CDBDMN C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000408409970 300194740 /nfs/dbraw/zinc/19/47/40/300194740.db2.gz HEAIQVXYEKOXSB-UWVGGRQHSA-N 0 1 293.323 1.465 20 5 CDBDMN C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000408409970 300194743 /nfs/dbraw/zinc/19/47/43/300194743.db2.gz HEAIQVXYEKOXSB-UWVGGRQHSA-N 0 1 293.323 1.465 20 5 CDBDMN CC1(C)[C@H](O)C[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000580090056 324366632 /nfs/dbraw/zinc/36/66/32/324366632.db2.gz JUGBVXJOOCWGOK-NWDGAFQWSA-N 0 1 290.323 1.720 20 5 CDBDMN CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000310201105 1186669005 /nfs/dbraw/zinc/66/90/05/1186669005.db2.gz HIIHJMYJDMVTSN-UHFFFAOYSA-N 0 1 282.680 1.686 20 5 CDBDMN CC[C@](C)(NCc1cccc([N+](=O)[O-])c1C)C(N)=O ZINC000177126596 529371915 /nfs/dbraw/zinc/37/19/15/529371915.db2.gz GWMCBWVIKWLOIJ-ZDUSSCGKSA-N 0 1 265.313 1.647 20 5 CDBDMN COCCN1CC[C@H](Nc2nc(C)ccc2[N+](=O)[O-])C1 ZINC000268779577 536879121 /nfs/dbraw/zinc/87/91/21/536879121.db2.gz BRFTXPRBQNYPLF-NSHDSACASA-N 0 1 280.328 1.431 20 5 CDBDMN Cc1nc(COC(=O)Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000770641945 575480398 /nfs/dbraw/zinc/48/03/98/575480398.db2.gz BAQFHLMKFDVXFM-UHFFFAOYSA-N 0 1 276.252 1.307 20 5 CDBDMN COCCONC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000748768589 576923473 /nfs/dbraw/zinc/92/34/73/576923473.db2.gz ZNUPJDGXJONRHS-UHFFFAOYSA-N 0 1 282.296 1.567 20 5 CDBDMN O=C(CCc1cccc([N+](=O)[O-])c1)OCCc1c[nH]nn1 ZINC000756289152 576984220 /nfs/dbraw/zinc/98/42/20/576984220.db2.gz IMHMIJNHHVISJG-UHFFFAOYSA-N 0 1 290.279 1.431 20 5 CDBDMN O=C(CCc1cccc([N+](=O)[O-])c1)OCCc1cnn[nH]1 ZINC000756289152 576984222 /nfs/dbraw/zinc/98/42/22/576984222.db2.gz IMHMIJNHHVISJG-UHFFFAOYSA-N 0 1 290.279 1.431 20 5 CDBDMN Cc1ccc(C[N@H+]2CCC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000714012331 598133460 /nfs/dbraw/zinc/13/34/60/598133460.db2.gz CMZZMDJDDAYJNO-LLVKDONJSA-N 0 1 264.281 1.952 20 5 CDBDMN COC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCCC1 ZINC000890837878 617341273 /nfs/dbraw/zinc/34/12/73/617341273.db2.gz QWJVXTNJVFJZJB-GHMZBOCLSA-N 0 1 270.329 1.507 20 5 CDBDMN CCN1CC[C@H]1CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000893872077 618117303 /nfs/dbraw/zinc/11/73/03/618117303.db2.gz OHOFMQSAISXZJR-NSHDSACASA-N 0 1 277.324 1.727 20 5 CDBDMN CN1C[C@H]2[C@@H](CCN2c2ncc([N+](=O)[O-])cc2F)C1 ZINC000893935602 618195797 /nfs/dbraw/zinc/19/57/97/618195797.db2.gz RDJJWBKWVWSIHN-KWQFWETISA-N 0 1 266.276 1.269 20 5 CDBDMN CC[C@@H](C)N1CCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC000894100829 618407933 /nfs/dbraw/zinc/40/79/33/618407933.db2.gz BPATXQUOOFCEEX-SNVBAGLBSA-N 0 1 267.333 1.249 20 5 CDBDMN CC(C)n1ccnc1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840670980 618426645 /nfs/dbraw/zinc/42/66/45/618426645.db2.gz OHXDXJWYBAXRQU-RKDXNWHRSA-N 0 1 253.258 1.172 20 5 CDBDMN CC[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H](C)C(=O)OC ZINC000836109192 618670693 /nfs/dbraw/zinc/67/06/93/618670693.db2.gz AJQANZRXIYMXSD-VXNVDRBHSA-N 0 1 284.268 1.667 20 5 CDBDMN CC(C)(C)c1cc(COC(=O)[C@@H]2CC2[N+](=O)[O-])no1 ZINC000840674877 618819920 /nfs/dbraw/zinc/81/99/20/618819920.db2.gz QRDNDLFIYVRAHB-RKDXNWHRSA-N 0 1 268.269 1.681 20 5 CDBDMN O=C(O[C@@H]([C@H]1CCCOC1)C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000841207795 618924968 /nfs/dbraw/zinc/92/49/68/618924968.db2.gz JKHNGMMNPGGTPU-KDXUFGMBSA-N 0 1 297.229 1.552 20 5 CDBDMN COc1c(O)ccc(CNCC2=CCCOC2)c1[N+](=O)[O-] ZINC000894513948 618931337 /nfs/dbraw/zinc/93/13/37/618931337.db2.gz SKLVPUUAUPZNPV-UHFFFAOYSA-N 0 1 294.307 1.745 20 5 CDBDMN CSC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC000894563048 618963324 /nfs/dbraw/zinc/96/33/24/618963324.db2.gz JSALDFKHFKIZNR-NXEZZACHSA-N 0 1 272.370 1.834 20 5 CDBDMN O=[N+]([O-])CCSc1nc(Cc2ccccc2)n[nH]1 ZINC000899884895 622506765 /nfs/dbraw/zinc/50/67/65/622506765.db2.gz BIJHQUVZEJDFOO-UHFFFAOYSA-N 0 1 264.310 1.764 20 5 CDBDMN O=[N+]([O-])CCN[C@H]1CCN(c2ccccc2F)C1 ZINC000905263469 626712477 /nfs/dbraw/zinc/71/24/77/626712477.db2.gz QEHYXSQQWQNOTB-JTQLQIEISA-N 0 1 253.277 1.271 20 5 CDBDMN O=[N+]([O-])CCN[C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000905393293 626808267 /nfs/dbraw/zinc/80/82/67/626808267.db2.gz ABKFEKIDCVXGFM-SNVBAGLBSA-N 0 1 287.722 1.924 20 5 CDBDMN CN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000913536463 630531144 /nfs/dbraw/zinc/53/11/44/630531144.db2.gz BMMLNOPTHPFSCZ-OKILXGFUSA-N 0 1 289.335 1.442 20 5 CDBDMN COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@H](C)C(=O)[O-])c1 ZINC001610214183 1165254864 /nfs/dbraw/zinc/25/48/64/1165254864.db2.gz LNUYGXKOURBWMC-MRVPVSSYSA-N 0 1 296.279 1.286 20 5 CDBDMN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCN[C@@H]2C[C@@H]21 ZINC001580569610 1172471194 /nfs/dbraw/zinc/47/11/94/1172471194.db2.gz LHEWCXWUIMMCMG-PWSUYJOCSA-N 0 1 295.726 1.363 20 5 CDBDMN C[C@H]1CCC[C@@H](n2cc([N+](=O)[O-])c(-c3nn[nH]n3)n2)C1 ZINC001590255281 1173324897 /nfs/dbraw/zinc/32/48/97/1173324897.db2.gz UJQAKGNABCPPSL-JGVFFNPUSA-N 0 1 277.288 1.723 20 5 CDBDMN Cc1noc(C[N@@H+]2CCC[C@@H]3C[C@@]32C(=O)[O-])c1[N+](=O)[O-] ZINC001600813340 1174624426 /nfs/dbraw/zinc/62/44/26/1174624426.db2.gz XWIZENPZCFPAPQ-PELKAZGASA-N 0 1 281.268 1.330 20 5 CDBDMN Cc1noc(C[N@H+]2CCC[C@@H]3C[C@@]32C(=O)[O-])c1[N+](=O)[O-] ZINC001600813340 1174624430 /nfs/dbraw/zinc/62/44/30/1174624430.db2.gz XWIZENPZCFPAPQ-PELKAZGASA-N 0 1 281.268 1.330 20 5 CDBDMN COc1ccc([N+](=O)[O-])c(N[C@H]2CCN(C)C2)n1 ZINC000134218105 1175812963 /nfs/dbraw/zinc/81/29/63/1175812963.db2.gz LFODJCJNIVOUCP-QMMMGPOBSA-N 0 1 252.274 1.114 20 5 CDBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H]2CCO)c1 ZINC001608914338 1164683058 /nfs/dbraw/zinc/68/30/58/1164683058.db2.gz MDOXBCPZLLURFT-LBPRGKRZSA-N 0 1 294.307 1.640 20 5 CDBDMN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCCN(C)CC1 ZINC000843752134 844100748 /nfs/dbraw/zinc/10/07/48/844100748.db2.gz KMSYSOXYONKECI-UHFFFAOYSA-N 0 1 295.314 1.820 20 5 CDBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000837376058 844143651 /nfs/dbraw/zinc/14/36/51/844143651.db2.gz YQGDJDAQZIAQBR-LLVKDONJSA-N 0 1 267.237 1.523 20 5 CDBDMN C[C@](N)(C(=O)N[C@H]1CC=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000876943104 844578886 /nfs/dbraw/zinc/57/88/86/844578886.db2.gz BVINAONIUFCEBC-SWLSCSKDSA-N 0 1 289.335 1.994 20 5 CDBDMN COC[C@H](C)Nc1ccccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840443410 843139059 /nfs/dbraw/zinc/13/90/59/843139059.db2.gz XYFJXTLQJNIXIQ-OPQQBVKSSA-N 0 1 293.323 1.737 20 5 CDBDMN C[C@@H]1C[C@@H]1c1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC000839549710 843760076 /nfs/dbraw/zinc/76/00/76/843760076.db2.gz LZKOPELOGIJFBG-APHKKCJPSA-N 0 1 264.281 1.684 20 5 CDBDMN COc1cccc2c1CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000863278350 843812418 /nfs/dbraw/zinc/81/24/18/843812418.db2.gz SONQIOAIXDQBPY-MWLCHTKSSA-N 0 1 262.265 1.203 20 5 CDBDMN CC(C)n1cc([C@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC000839681511 843848135 /nfs/dbraw/zinc/84/81/35/843848135.db2.gz RFEXKPWWLOPZRM-JMJZKYOTSA-N 0 1 266.301 1.306 20 5 CDBDMN CC(C)N(C)CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000819905542 844761964 /nfs/dbraw/zinc/76/19/64/844761964.db2.gz PPUMVXWLKWDSOM-UHFFFAOYSA-N 0 1 266.301 1.456 20 5 CDBDMN COc1cc([N+](=O)[O-])ccc1CN1CCN(C)[C@@H](C)C1 ZINC000797518348 844834296 /nfs/dbraw/zinc/83/42/96/844834296.db2.gz CFAOFSXNLUCWMP-NSHDSACASA-N 0 1 279.340 1.739 20 5 CDBDMN C[C@H]1[C@H](C)N(C(=O)CCC(C)(C)[N+](=O)[O-])CCN1C ZINC000827739924 845048811 /nfs/dbraw/zinc/04/88/11/845048811.db2.gz SZULRCQSSUQYHJ-QWRGUYRKSA-N 0 1 271.361 1.373 20 5 CDBDMN CC[C@H](c1ccncc1)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839688721 845427223 /nfs/dbraw/zinc/42/72/23/845427223.db2.gz VCRYDUMGBWNVAU-IJLUTSLNSA-N 0 1 263.297 1.656 20 5 CDBDMN O=C(C=Cc1ccc([N+](=O)[O-])cc1)N1CCc2nc[nH]c2C1 ZINC000819972943 845511393 /nfs/dbraw/zinc/51/13/93/845511393.db2.gz MVEAXLSLFNTKQC-UTCJRWHESA-N 0 1 298.302 1.916 20 5 CDBDMN O=[N+]([O-])c1ncccc1CN1CC[C@@H](CCCO)C1 ZINC000886239401 845517152 /nfs/dbraw/zinc/51/71/52/845517152.db2.gz WDBUYOXKXXDOBQ-LLVKDONJSA-N 0 1 265.313 1.584 20 5 CDBDMN CC(C)CC(=O)N(C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001066676316 845602230 /nfs/dbraw/zinc/60/22/30/845602230.db2.gz AOWAECRAGRPVMF-VXGBXAGGSA-N 0 1 299.371 1.005 20 5 CDBDMN CC(C)(C)CN(CCO)Cc1cccnc1[N+](=O)[O-] ZINC000886001816 845606147 /nfs/dbraw/zinc/60/61/47/845606147.db2.gz KKGUAUWMOAMOOT-UHFFFAOYSA-N 0 1 267.329 1.830 20 5 CDBDMN O=C(NCC[C@@H](O)c1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000122748476 845792623 /nfs/dbraw/zinc/79/26/23/845792623.db2.gz MMYYJRKFQLVXSG-LLVKDONJSA-N 0 1 290.279 1.171 20 5 CDBDMN COc1cccc2c1CC[C@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839704325 845999802 /nfs/dbraw/zinc/99/98/02/845999802.db2.gz WKGQERRGZKNRBO-IJLUTSLNSA-N 0 1 276.292 1.464 20 5 CDBDMN CCC(CC)[C@@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000839724282 846065917 /nfs/dbraw/zinc/06/59/17/846065917.db2.gz LPHVLZJSIDMKJG-LOWDOPEQSA-N 0 1 284.356 1.752 20 5 CDBDMN CCC(=O)Nc1cccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839542277 846096426 /nfs/dbraw/zinc/09/64/26/846096426.db2.gz IUZGSDRFIGYQOR-VXGBXAGGSA-N 0 1 291.307 1.317 20 5 CDBDMN Cc1nc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])n[nH]1 ZINC000130651054 846100101 /nfs/dbraw/zinc/10/01/01/846100101.db2.gz BULWJQVCJTXEQP-UHFFFAOYSA-N 0 1 279.231 1.721 20 5 CDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000839782221 846184368 /nfs/dbraw/zinc/18/43/68/846184368.db2.gz FTPLKOCEGRDKEQ-FVCCEPFGSA-N 0 1 294.351 1.459 20 5 CDBDMN CC[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])CC(F)(F)F ZINC000839841936 846346984 /nfs/dbraw/zinc/34/69/84/846346984.db2.gz CYGYEFCNKHHSQT-XLPZGREQSA-N 0 1 268.235 1.746 20 5 CDBDMN O=C(Nc1ccc(O[C@H]2CCOC2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839688029 846784100 /nfs/dbraw/zinc/78/41/00/846784100.db2.gz JZZSGIBFQKSLNT-YNEHKIRRSA-N 0 1 292.291 1.458 20 5 CDBDMN O=[N+]([O-])c1cccc([C@H](O)CNCc2cc[nH]n2)c1 ZINC000818957662 846855144 /nfs/dbraw/zinc/85/51/44/846855144.db2.gz YDOOOKCTCQFMQR-GFCCVEGCSA-N 0 1 262.269 1.141 20 5 CDBDMN Cc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc(O)c1C ZINC000882124615 847084290 /nfs/dbraw/zinc/08/42/90/847084290.db2.gz ZFFJUDUNBQQRHH-NXEZZACHSA-N 0 1 250.254 1.613 20 5 CDBDMN Cc1ccc2c(c1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000839732828 847234522 /nfs/dbraw/zinc/23/45/22/847234522.db2.gz FBUAQMHWQUDEMB-CHWSQXEVSA-N 0 1 260.293 1.545 20 5 CDBDMN O=[N+]([O-])c1cnn(Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000821075522 847348393 /nfs/dbraw/zinc/34/83/93/847348393.db2.gz WWJALXHPZJTEDC-UHFFFAOYSA-N 0 1 264.197 1.453 20 5 CDBDMN CCO[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1(C)C ZINC000839701088 847356773 /nfs/dbraw/zinc/35/67/73/847356773.db2.gz VAWXUACBKSPHIE-GWOFURMSSA-N 0 1 270.329 1.314 20 5 CDBDMN Cc1nn(CN2CCC[C@H]2[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000842619598 847432260 /nfs/dbraw/zinc/43/22/60/847432260.db2.gz WMYMCRGPKITDRD-STQMWFEESA-N 0 1 294.355 1.948 20 5 CDBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](CF)C2)c1[N+](=O)[O-] ZINC000881666702 847524420 /nfs/dbraw/zinc/52/44/20/847524420.db2.gz DDCAFQYIONJKFQ-QMMMGPOBSA-N 0 1 284.291 1.702 20 5 CDBDMN CCc1nc(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cs1 ZINC000839625541 847659415 /nfs/dbraw/zinc/65/94/15/847659415.db2.gz BJHBAPNSKVKLDW-RKDXNWHRSA-N 0 1 269.326 1.029 20 5 CDBDMN O=C(N[C@@H]1CC(=O)c2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000841412866 847784592 /nfs/dbraw/zinc/78/45/92/847784592.db2.gz FBQYUCDOXXWEOX-GMTAPVOTSA-N 0 1 260.249 1.096 20 5 CDBDMN O=C(Nc1cnn(Cc2ccccc2)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839557290 847785695 /nfs/dbraw/zinc/78/56/95/847785695.db2.gz YHLASZDKSFGCHG-CHWSQXEVSA-N 0 1 286.291 1.535 20 5 CDBDMN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cnsn1 ZINC000127642497 847795196 /nfs/dbraw/zinc/79/51/96/847795196.db2.gz AMEYWYJDDMHEFG-UHFFFAOYSA-N 0 1 268.229 1.838 20 5 CDBDMN C[C@@H]1CN(c2ccc(N)cc2[N+](=O)[O-])C[C@H](C)N1CCO ZINC000829020033 848016740 /nfs/dbraw/zinc/01/67/40/848016740.db2.gz UXIBOUDLPWVRNQ-PHIMTYICSA-N 0 1 294.355 1.068 20 5 CDBDMN O=C(C=C1CCC1)NCCNCc1ccccc1[N+](=O)[O-] ZINC001125565600 896621137 /nfs/dbraw/zinc/62/11/37/896621137.db2.gz UYQUIIDBNYLAAJ-UHFFFAOYSA-N 0 1 289.335 1.911 20 5 CDBDMN CN1CCC[C@H](Oc2[nH]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225666999 903643763 /nfs/dbraw/zinc/64/37/63/903643763.db2.gz NBHPLQJKZKLMPH-QMMMGPOBSA-N 0 1 253.258 1.168 20 5 CDBDMN NCc1nccnc1Nc1cnc(F)c([N+](=O)[O-])c1 ZINC001171450154 910719487 /nfs/dbraw/zinc/71/94/87/910719487.db2.gz VCLWTTPJGOCNRH-UHFFFAOYSA-N 0 1 264.220 1.121 20 5 CDBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC(C)(CO)C1 ZINC001254553089 936407458 /nfs/dbraw/zinc/40/74/58/936407458.db2.gz RWYRPEXYYNYADD-NSHDSACASA-N 0 1 264.325 1.840 20 5 CDBDMN Cc1ncc(CO)c(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1[O-] ZINC001168973460 927596835 /nfs/dbraw/zinc/59/68/35/927596835.db2.gz OTRYQGIZXHUXIV-ZYHUDNBSSA-N 0 1 295.339 1.123 20 5 CDBDMN O=[N+]([O-])c1c(NC[C@H]2COCCN2)ccc2cnccc21 ZINC001170045178 929139588 /nfs/dbraw/zinc/13/95/88/929139588.db2.gz RQGPFTVFXHPCBS-NSHDSACASA-N 0 1 288.307 1.543 20 5 CDBDMN CC(C)OC1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCC1 ZINC001154211063 937516974 /nfs/dbraw/zinc/51/69/74/937516974.db2.gz NNNSKGIKIAXBLL-UHFFFAOYSA-N 0 1 282.300 1.395 20 5 CDBDMN COc1cc(C(=O)Nc2c[nH]nn2)c([N+](=O)[O-])cc1F ZINC001154597300 937564194 /nfs/dbraw/zinc/56/41/94/937564194.db2.gz DHUAFMBTCBLTNU-UHFFFAOYSA-N 0 1 281.203 1.113 20 5 CDBDMN O=[N+]([O-])c1cc(Cl)cnc1N1CCN2CC[C@H]2C1 ZINC001158425915 938623245 /nfs/dbraw/zinc/62/32/45/938623245.db2.gz UIKLCQFNHWDYQR-VIFPVBQESA-N 0 1 268.704 1.538 20 5 CDBDMN CC[C@](N)(CO)Nc1ncc([N+](=O)[O-])cc1Cl ZINC001159739841 938748097 /nfs/dbraw/zinc/74/80/97/938748097.db2.gz QIFAJKLQHVSLNK-SECBINFHSA-N 0 1 260.681 1.112 20 5 CDBDMN Cc1nnc(CN)n1-c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001163346016 939252108 /nfs/dbraw/zinc/25/21/08/939252108.db2.gz JIBNQCANBJFQEZ-UHFFFAOYSA-N 0 1 284.279 1.491 20 5 CDBDMN O=[N+]([O-])c1cncc(Cl)c1NC[C@@H]1COCCN1 ZINC000302588929 940805343 /nfs/dbraw/zinc/80/53/43/940805343.db2.gz UAYLNZUKEYSNOJ-SSDOTTSWSA-N 0 1 272.692 1.044 20 5 CDBDMN CN1[C@@H]2C[C@H](OCc3ccc([N+](=O)[O-])nc3)[C@H]1CC(=O)C2 ZINC001224108342 941720117 /nfs/dbraw/zinc/72/01/17/941720117.db2.gz FZNBDTNJBMGSEC-UHTWSYAYSA-N 0 1 291.307 1.311 20 5 CDBDMN CC[C@@H](Oc1cc(O)ccc1[N+](=O)[O-])C(=O)OC ZINC001225490100 941869494 /nfs/dbraw/zinc/86/94/94/941869494.db2.gz FUGBRWUBVBITFB-SECBINFHSA-N 0 1 255.226 1.631 20 5 CDBDMN C[C@@H](O)CCCC(=O)Oc1nccc(O)c1[N+](=O)[O-] ZINC001225666139 941896886 /nfs/dbraw/zinc/89/68/86/941896886.db2.gz GRAKHCIRELVSPA-SSDOTTSWSA-N 0 1 270.241 1.152 20 5 CDBDMN O=c1nc2cc[nH]c2c(O[C@@H](C[N+](=O)[O-])C2CC2)[nH]1 ZINC001227809652 942229650 /nfs/dbraw/zinc/22/96/50/942229650.db2.gz QFKAFSHUFLKGTP-QMMMGPOBSA-N 0 1 264.241 1.098 20 5 CDBDMN O=C1CCC(Oc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC001228606980 942340679 /nfs/dbraw/zinc/34/06/79/942340679.db2.gz SZUJXMKELSDNFM-UHFFFAOYSA-N 0 1 293.279 1.858 20 5 CDBDMN O=c1[nH]c(C2CC2)nc(O[C@H]2CCOC[C@@H]2F)c1[N+](=O)[O-] ZINC001228610133 942342106 /nfs/dbraw/zinc/34/21/06/942342106.db2.gz PFWVYOQOZKRYKJ-YUMQZZPRSA-N 0 1 299.258 1.474 20 5 CDBDMN O=[N+]([O-])c1c(O)cc(C(F)(F)F)nc1OC1COC1 ZINC001228861116 942385690 /nfs/dbraw/zinc/38/56/90/942385690.db2.gz CASWBHBGJVXHND-UHFFFAOYSA-N 0 1 280.158 1.492 20 5 CDBDMN Cc1nc(OC[C@@H]2CCC(C)(C)O2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229375826 942460605 /nfs/dbraw/zinc/46/06/05/942460605.db2.gz NDQMWDYLOGFBRX-QMMMGPOBSA-N 0 1 283.284 1.735 20 5 CDBDMN Cc1nc(O[C@@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229382863 942462370 /nfs/dbraw/zinc/46/23/70/942462370.db2.gz WZXPMMAFYJWFTD-SECBINFHSA-N 0 1 282.300 1.260 20 5 CDBDMN C[C@H](C[N+](C)(C)C)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229395938 942462908 /nfs/dbraw/zinc/46/29/08/942462908.db2.gz NNUWKYGPLUVWTQ-SECBINFHSA-O 0 1 255.294 1.774 20 5 CDBDMN Cc1cc(O)c([N+](=O)[O-])c(O[C@H]2CCCOC2)n1 ZINC001231259504 942837099 /nfs/dbraw/zinc/83/70/99/942837099.db2.gz NJASQBYDHSTMFD-QMMMGPOBSA-N 0 1 254.242 1.562 20 5 CDBDMN CC[C@H](O)C(=O)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC001233497334 943602042 /nfs/dbraw/zinc/60/20/42/943602042.db2.gz GPLISFWKHVZQCB-VIFPVBQESA-N 0 1 299.670 1.801 20 5 CDBDMN O=c1cc(Cl)c(O[C@H](C[N+](=O)[O-])C2CC2)n[nH]1 ZINC001233586821 943622800 /nfs/dbraw/zinc/62/28/00/943622800.db2.gz JFHQMKOROVJXJG-SSDOTTSWSA-N 0 1 259.649 1.270 20 5 CDBDMN 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1.278 20 5 CDBDMN COC(=O)[C@H](CC(C)(C)C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673623 698398428 /nfs/dbraw/zinc/39/84/28/698398428.db2.gz VZXWWAZPZWQURM-HLTSFMKQSA-N 0 1 273.285 1.173 20 5 CDBDMN COC(=O)C[C@H](C)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837578079 698873324 /nfs/dbraw/zinc/87/33/24/698873324.db2.gz HLJTWAAJXMDCCM-QMMMGPOBSA-N 0 1 297.263 1.543 20 5 CDBDMN Cc1c(CN2CC(N3CC[C@@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000877612728 698891284 /nfs/dbraw/zinc/89/12/84/698891284.db2.gz VSGYQNIEZORBEN-CQSZACIVSA-N 0 1 291.351 1.154 20 5 CDBDMN CCN1CC[C@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000882483385 698951739 /nfs/dbraw/zinc/95/17/39/698951739.db2.gz ZFGOXLKOWXDMCE-LBPRGKRZSA-N 0 1 293.323 1.184 20 5 CDBDMN C[C@H]1c2c(F)cccc2CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839709641 698994380 /nfs/dbraw/zinc/99/43/80/698994380.db2.gz SMPGATQBFDLDMB-MKPLZMMCSA-N 0 1 278.283 1.937 20 5 CDBDMN CC(C)Oc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccn1 ZINC000841190252 705053395 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CCON(CC)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC001152133388 937338068 /nfs/dbraw/zinc/33/80/68/937338068.db2.gz GUFASLFDYXZJJX-UHFFFAOYSA-N 0 1 256.262 1.294 20 5 CDBDMN CCN1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000882480545 930008742 /nfs/dbraw/zinc/00/87/42/930008742.db2.gz UTUKTJKUKKZXBW-NSHDSACASA-N 0 1 293.323 1.427 20 5 CDBDMN C[C@@H](CF)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000885413719 930718924 /nfs/dbraw/zinc/71/89/24/930718924.db2.gz HBPNFIJIMLYBTL-LURJTMIESA-N 0 1 296.707 1.885 20 5 CDBDMN Cc1noc(CN2C[C@@H]3CSC[C@@H]3C2)c1[N+](=O)[O-] ZINC000886571925 930909315 /nfs/dbraw/zinc/90/93/15/930909315.db2.gz ONEBBBCYHPOUFR-DTORHVGOSA-N 0 1 269.326 1.686 20 5 CDBDMN O=[N+]([O-])c1ccc(-c2noc(C[C@@H]3COCCN3)n2)s1 ZINC000823070121 931250575 /nfs/dbraw/zinc/25/05/75/931250575.db2.gz ZPYZXILZQHIOJN-SSDOTTSWSA-N 0 1 296.308 1.237 20 5 CDBDMN CC(C)(NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccccc1 ZINC000846203044 931994230 /nfs/dbraw/zinc/99/42/30/931994230.db2.gz DNKAJOGOIRLEGZ-GHMZBOCLSA-N 0 1 276.292 1.429 20 5 CDBDMN Cc1cc([C@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)o1 ZINC001117942268 937571737 /nfs/dbraw/zinc/57/17/37/937571737.db2.gz UAVQULOTSLMIOD-WHGOUJPWSA-N 0 1 252.270 1.739 20 5 CDBDMN CC(=O)CCCCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000778329212 934068979 /nfs/dbraw/zinc/06/89/79/934068979.db2.gz ITYASXSCMMYWAM-UHFFFAOYSA-N 0 1 254.242 1.839 20 5 CDBDMN Cc1cccc([C@@H](O)CNC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000159078215 934310535 /nfs/dbraw/zinc/31/05/35/934310535.db2.gz DGUVRKUXKMDOAM-NSHDSACASA-N 0 1 290.279 1.090 20 5 CDBDMN Cc1c(C)c(-n2c(C)ncc(CN)c2=N)ncc1[N+](=O)[O-] ZINC001156829672 938423139 /nfs/dbraw/zinc/42/31/39/938423139.db2.gz QJHIAPLWARYCTB-UHFFFAOYSA-N 0 1 288.311 1.039 20 5 CDBDMN O=[N+]([O-])c1cc[n+]([O-])cc1N[C@@H]1CNCc2ccsc21 ZINC001163230049 939230034 /nfs/dbraw/zinc/23/00/34/939230034.db2.gz UBQAKTCUNDPJKZ-SECBINFHSA-N 0 1 292.320 1.546 20 5 CDBDMN N[C@@H]1CCN(c2cc(Cl)cc([N+](=O)[O-])n2)CC1(F)F ZINC001166960646 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