smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)/C=C/C(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094341595 792834133 /nfs/dbraw/zinc/83/41/33/792834133.db2.gz XHSYNFJSTNCYDF-FNORWQNLSA-N -1 3 322.365 2.216 20 5 DEBDHM O=C(CCC1CCC1)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094361404 792871350 /nfs/dbraw/zinc/87/13/50/792871350.db2.gz FNCDYNDCFSWDTC-UHFFFAOYSA-N -1 3 322.365 2.194 20 5 DEBDHM CC(C)CCC(=O)N(C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101484374 793179655 /nfs/dbraw/zinc/17/96/55/793179655.db2.gz NYLOCOZNOQXITN-UHFFFAOYSA-N -1 3 310.354 2.002 20 5 DEBDHM CCOC(=O)c1nonc1[N-]c1ccc(/C=C/[N+](=O)[O-])cc1 ZINC001175899389 794312107 /nfs/dbraw/zinc/31/21/07/794312107.db2.gz SDSLINFNOJCHRB-BQYQJAHWSA-N -1 3 304.262 2.237 20 5 DEBDHM COC(=O)[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])CC1CCCC1 ZINC001187841130 796586041 /nfs/dbraw/zinc/58/60/41/796586041.db2.gz HMVZOCSPXAEHJP-LLVKDONJSA-N -1 3 323.349 2.477 20 5 DEBDHM COC(=O)c1c(Nc2cc([O-])cc([N+](=O)[O-])c2)cncc1OC ZINC001199828911 798544005 /nfs/dbraw/zinc/54/40/05/798544005.db2.gz YPOFNSXYNHTWIB-UHFFFAOYSA-N -1 3 319.273 2.234 20 5 DEBDHM COc1nc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(C)c(OC)n1 ZINC001199828596 798553345 /nfs/dbraw/zinc/55/33/45/798553345.db2.gz NXNZFHLFGNXWCC-UHFFFAOYSA-N -1 3 306.278 2.160 20 5 DEBDHM O=[N+]([O-])c1ccc(N2CCC(c3nnn[n-]3)CC2)c(Cl)c1 ZINC001163947547 799462658 /nfs/dbraw/zinc/46/26/58/799462658.db2.gz VJWPRSOYMCLSEU-UHFFFAOYSA-N -1 3 308.729 2.145 20 5 DEBDHM O=[N+]([O-])c1ccc(N2CCC(c3nn[n-]n3)CC2)c(Cl)c1 ZINC001163947547 799462660 /nfs/dbraw/zinc/46/26/60/799462660.db2.gz VJWPRSOYMCLSEU-UHFFFAOYSA-N -1 3 308.729 2.145 20 5 DEBDHM COc1cc(CNc2cnn3c2CCCC3)c([N+](=O)[O-])cc1[O-] ZINC001203363381 800039544 /nfs/dbraw/zinc/03/95/44/800039544.db2.gz OSMHKABEQLGVCD-UHFFFAOYSA-N -1 3 318.333 2.454 20 5 DEBDHM CCOC(=O)[C@@H]1CCC[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225664957 802999017 /nfs/dbraw/zinc/99/90/17/802999017.db2.gz VJBHRCNMEJPSMR-NXEZZACHSA-N -1 3 310.306 2.196 20 5 DEBDHM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1ncc(Cl)cc1[O-] ZINC001227980672 803300996 /nfs/dbraw/zinc/30/09/96/803300996.db2.gz QFBGKCHXMAVQAH-ZETCQYMHSA-N -1 3 312.713 2.321 20 5 DEBDHM CN1CCC(Oc2[n-]c(C(F)(F)F)cc(=O)c2[N+](=O)[O-])CC1 ZINC001228861838 803422465 /nfs/dbraw/zinc/42/24/65/803422465.db2.gz IBEVGKYAEBZWPX-UHFFFAOYSA-N -1 3 321.255 2.187 20 5 DEBDHM CN1CCC(Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])CC1 ZINC001228861838 803422468 /nfs/dbraw/zinc/42/24/68/803422468.db2.gz IBEVGKYAEBZWPX-UHFFFAOYSA-N -1 3 321.255 2.187 20 5 DEBDHM CC(C)COCCN[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001591397104 992465941 /nfs/dbraw/zinc/46/59/41/992465941.db2.gz MNROMMJLZCTFJR-OAHLLOKOSA-N -1 3 310.350 2.157 20 5 DEBDHM C[C@@H](CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CC1 ZINC001603552530 1069986952 /nfs/dbraw/zinc/98/69/52/1069986952.db2.gz CNPUOVVVZBDUEK-ZETCQYMHSA-N -1 3 306.301 2.372 20 5 DEBDHM C[C@@H](CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CC1 ZINC001603552530 1069986968 /nfs/dbraw/zinc/98/69/68/1069986968.db2.gz CNPUOVVVZBDUEK-ZETCQYMHSA-N -1 3 306.301 2.372 20 5 DEBDHM C[C@H]1CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C[C@H](C)S1 ZINC001603936828 1070152488 /nfs/dbraw/zinc/15/24/88/1070152488.db2.gz AKNCRSURKROLEL-IUCAKERBSA-N -1 3 320.378 2.105 20 5 DEBDHM C[C@H]1CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C[C@H](C)S1 ZINC001603936828 1070152490 /nfs/dbraw/zinc/15/24/90/1070152490.db2.gz AKNCRSURKROLEL-IUCAKERBSA-N -1 3 320.378 2.105 20 5 DEBDHM CC[C@@H]1[C@@H](C)CCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604096320 1070211818 /nfs/dbraw/zinc/21/18/18/1070211818.db2.gz HBFSLDRBTDKKBA-GXSJLCMTSA-N -1 3 302.338 2.400 20 5 DEBDHM CC[C@@H]1[C@@H](C)CCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604096320 1070211827 /nfs/dbraw/zinc/21/18/27/1070211827.db2.gz HBFSLDRBTDKKBA-GXSJLCMTSA-N -1 3 302.338 2.400 20 5 DEBDHM CC[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCO1 ZINC001604098516 1070215312 /nfs/dbraw/zinc/21/53/12/1070215312.db2.gz HFYNPJGEVYPMCA-MNOVXSKESA-N -1 3 318.337 2.144 20 5 DEBDHM CC[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCO1 ZINC001604098516 1070215319 /nfs/dbraw/zinc/21/53/19/1070215319.db2.gz HFYNPJGEVYPMCA-MNOVXSKESA-N -1 3 318.337 2.144 20 5 DEBDHM C[C@@H]1CC[C@](CO)(N(C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001604699635 1070470293 /nfs/dbraw/zinc/47/02/93/1070470293.db2.gz AXXBBNZHLSYFNM-BZNIZROVSA-N -1 3 322.361 2.276 20 5 DEBDHM C[C@H]1CC[C@](CO)(N(C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001604699637 1070470522 /nfs/dbraw/zinc/47/05/22/1070470522.db2.gz AXXBBNZHLSYFNM-ZBEGNZNMSA-N -1 3 322.361 2.276 20 5 DEBDHM CN(Cc1ccccc1)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001604818710 1070505479 /nfs/dbraw/zinc/50/54/79/1070505479.db2.gz WZEFXKBAJGTQDK-UHFFFAOYSA-N -1 3 310.317 2.411 20 5 DEBDHM CN(Cc1ccccc1)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001604818710 1070505488 /nfs/dbraw/zinc/50/54/88/1070505488.db2.gz WZEFXKBAJGTQDK-UHFFFAOYSA-N -1 3 310.317 2.411 20 5 DEBDHM Cc1cnc(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)s1 ZINC001605979653 1070996136 /nfs/dbraw/zinc/99/61/36/1070996136.db2.gz WGGGFZAQWSGCHZ-UHFFFAOYSA-N -1 3 317.334 2.152 20 5 DEBDHM O=[N+]([O-])c1ccc(N[C@@H]2CC[C@H]3C[C@H]3C2)c(-c2nnn[n-]2)c1 ZINC001607082873 1071291283 /nfs/dbraw/zinc/29/12/83/1071291283.db2.gz VPUJAXADYYXTKN-LPEHRKFASA-N -1 3 300.322 2.375 20 5 DEBDHM O=[N+]([O-])c1ccc(N[C@@H]2CC[C@H]3C[C@H]3C2)c(-c2nn[n-]n2)c1 ZINC001607082873 1071291289 /nfs/dbraw/zinc/29/12/89/1071291289.db2.gz VPUJAXADYYXTKN-LPEHRKFASA-N -1 3 300.322 2.375 20 5 DEBDHM O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]3CCC[C@H]32)c(-c2nnn[n-]2)c1 ZINC001607081341 1071290256 /nfs/dbraw/zinc/29/02/56/1071290256.db2.gz BHDMEAHNQJIWIC-ZDSQKVDBSA-N -1 3 300.322 2.375 20 5 DEBDHM O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]3CCC[C@H]32)c(-c2nn[n-]n2)c1 ZINC001607081341 1071290264 /nfs/dbraw/zinc/29/02/64/1071290264.db2.gz BHDMEAHNQJIWIC-ZDSQKVDBSA-N -1 3 300.322 2.375 20 5 DEBDHM O=[N+]([O-])c1cnc(Sc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC001607085741 1071292609 /nfs/dbraw/zinc/29/26/09/1071292609.db2.gz LXVQMHSTYGRZFQ-UHFFFAOYSA-N -1 3 318.293 2.460 20 5 DEBDHM O=[N+]([O-])c1cnc(Sc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC001607085741 1071292619 /nfs/dbraw/zinc/29/26/19/1071292619.db2.gz LXVQMHSTYGRZFQ-UHFFFAOYSA-N -1 3 318.293 2.460 20 5 DEBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H]2CCN2C(C)(C)C)n1 ZINC001607589061 1071485482 /nfs/dbraw/zinc/48/54/82/1071485482.db2.gz DPANNROHISHXPR-SNVBAGLBSA-N -1 3 322.365 2.281 20 5 DEBDHM CN(Cc1ccc([S@@](C)=O)cc1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001458210285 1058050436 /nfs/dbraw/zinc/05/04/36/1058050436.db2.gz DVRVILOHFVCSBI-JOCHJYFZSA-N -1 3 321.358 2.069 20 5 DEBDHM COc1cc([N+](=O)[O-])cnc1[N-]C(=O)c1cc(C2CC2)no1 ZINC001533263515 1071805674 /nfs/dbraw/zinc/80/56/74/1071805674.db2.gz SHTDPFNOQXIVFE-UHFFFAOYSA-N -1 3 304.262 2.116 20 5 DEBDHM O=c1[n-]ccc(Sc2ncn(-c3ccccc3)n2)c1[N+](=O)[O-] ZINC001472649287 1060562520 /nfs/dbraw/zinc/56/25/20/1060562520.db2.gz BTMAFMSHMUITBL-UHFFFAOYSA-N -1 3 315.314 2.427 20 5 DEBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN[C@H](CO)C2CCCCC2)c1 ZINC001610842119 1078085017 /nfs/dbraw/zinc/08/50/17/1078085017.db2.gz PGWPAELFTAPCPZ-CQSZACIVSA-N -1 3 322.361 2.324 20 5 DEBDHM Cc1cc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc(C)n1 ZINC001622257791 1078186693 /nfs/dbraw/zinc/18/66/93/1078186693.db2.gz MUESVIZUKGLNTD-UHFFFAOYSA-N -1 3 321.358 2.085 20 5 DEBDHM CC(=O)c1ccc(C(=O)NCc2cccc([N+](=O)[O-])c2)cc1[O-] ZINC001628099025 1078289660 /nfs/dbraw/zinc/28/96/60/1078289660.db2.gz ZGZQUEIZOYMFBD-UHFFFAOYSA-N -1 3 314.297 2.433 20 5 DEBDHM Nc1ccc(NC(=O)c2[n-]cnc2C(F)(F)F)cc1[N+](=O)[O-] ZINC001638382109 1078561211 /nfs/dbraw/zinc/56/12/11/1078561211.db2.gz ZGQXDHDGWJJWKA-UHFFFAOYSA-N -1 3 315.211 2.171 20 5 DEBDHM Nc1ccc(NC(=O)c2nc[n-]c2C(F)(F)F)cc1[N+](=O)[O-] ZINC001638382109 1078561213 /nfs/dbraw/zinc/56/12/13/1078561213.db2.gz ZGQXDHDGWJJWKA-UHFFFAOYSA-N -1 3 315.211 2.171 20 5 DEBDHM CCc1[nH]nc(C(=O)[N-]c2cccc3nsnc32)c1[N+](=O)[O-] ZINC001586166690 1076392785 /nfs/dbraw/zinc/39/27/85/1076392785.db2.gz WXHDWLGSFWGQEM-UHFFFAOYSA-N -1 3 318.318 2.137 20 5 DEBDHM CC(C)c1cnn(Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001589773737 1076512628 /nfs/dbraw/zinc/51/26/28/1076512628.db2.gz OTYZZTLCVNJWFG-UHFFFAOYSA-N -1 3 313.321 2.143 20 5 DEBDHM CC(C)c1cnn(Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001589773737 1076512630 /nfs/dbraw/zinc/51/26/30/1076512630.db2.gz OTYZZTLCVNJWFG-UHFFFAOYSA-N -1 3 313.321 2.143 20 5 DEBDHM CC(C)c1nccn1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589776541 1076513362 /nfs/dbraw/zinc/51/33/62/1076513362.db2.gz PCPAHQRIPDEOIF-UHFFFAOYSA-N -1 3 313.321 2.143 20 5 DEBDHM CC(C)c1nccn1Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589776541 1076513365 /nfs/dbraw/zinc/51/33/65/1076513365.db2.gz PCPAHQRIPDEOIF-UHFFFAOYSA-N -1 3 313.321 2.143 20 5 DEBDHM CC1(C)CC[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)O1 ZINC001590091488 1076561754 /nfs/dbraw/zinc/56/17/54/1076561754.db2.gz YJGAWBDNLMQVBW-SNVBAGLBSA-N -1 3 318.337 2.144 20 5 DEBDHM CC1(C)CC[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)O1 ZINC001590091488 1076561759 /nfs/dbraw/zinc/56/17/59/1076561759.db2.gz YJGAWBDNLMQVBW-SNVBAGLBSA-N -1 3 318.337 2.144 20 5 DEBDHM C[C@H]1CCC[C@H](CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)O1 ZINC001590244001 1076597598 /nfs/dbraw/zinc/59/75/98/1076597598.db2.gz QUMURNGUWKCFLI-GXSJLCMTSA-N -1 3 318.337 2.144 20 5 DEBDHM C[C@H]1SCC[C@@H]1Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590338684 1076613163 /nfs/dbraw/zinc/61/31/63/1076613163.db2.gz VMJPIYBGLHSZRL-XCBNKYQSSA-N -1 3 306.351 2.081 20 5 DEBDHM CC[C@H](C)CC(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590406435 1076622247 /nfs/dbraw/zinc/62/22/47/1076622247.db2.gz OENSRFRRHFUDBV-VIFPVBQESA-N -1 3 319.321 2.254 20 5 DEBDHM CC[C@H](C)CC(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590406435 1076622249 /nfs/dbraw/zinc/62/22/49/1076622249.db2.gz OENSRFRRHFUDBV-VIFPVBQESA-N -1 3 319.321 2.254 20 5 DEBDHM CC[C@@H](C)CONc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590408061 1076622270 /nfs/dbraw/zinc/62/22/70/1076622270.db2.gz CKMUOFGHVAPDDM-MRVPVSSYSA-N -1 3 306.326 2.473 20 5 DEBDHM CC[C@@H](C)CONc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590408061 1076622272 /nfs/dbraw/zinc/62/22/72/1076622272.db2.gz CKMUOFGHVAPDDM-MRVPVSSYSA-N -1 3 306.326 2.473 20 5 DEBDHM CCC1(C(=O)OCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001590490024 1076639050 /nfs/dbraw/zinc/63/90/50/1076639050.db2.gz YTQHMBBKUCNSJG-UHFFFAOYSA-N -1 3 317.305 2.008 20 5 DEBDHM CCC1(C(=O)OCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001590490024 1076639052 /nfs/dbraw/zinc/63/90/52/1076639052.db2.gz YTQHMBBKUCNSJG-UHFFFAOYSA-N -1 3 317.305 2.008 20 5 DEBDHM CC[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC001590504392 1076642881 /nfs/dbraw/zinc/64/28/81/1076642881.db2.gz IDQWPNUPSJAZBC-GXSJLCMTSA-N -1 3 318.337 2.144 20 5 DEBDHM CC[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC001590504392 1076642883 /nfs/dbraw/zinc/64/28/83/1076642883.db2.gz IDQWPNUPSJAZBC-GXSJLCMTSA-N -1 3 318.337 2.144 20 5 DEBDHM COCCCSCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591419387 1076742533 /nfs/dbraw/zinc/74/25/33/1076742533.db2.gz NRQPIFTXPAYCHZ-UHFFFAOYSA-N -1 3 309.351 2.045 20 5 DEBDHM COCCCSCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591419387 1076742535 /nfs/dbraw/zinc/74/25/35/1076742535.db2.gz NRQPIFTXPAYCHZ-UHFFFAOYSA-N -1 3 309.351 2.045 20 5 DEBDHM Cc1cc(N2C[C@@H]3CCC[C@@H]3C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592010722 1076830376 /nfs/dbraw/zinc/83/03/76/1076830376.db2.gz DKBWLHHKBZPPOC-PHIMTYICSA-N -1 3 314.349 2.320 20 5 DEBDHM Cc1cc(N2C[C@@H]3CCC[C@@H]3C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592010722 1076830382 /nfs/dbraw/zinc/83/03/82/1076830382.db2.gz DKBWLHHKBZPPOC-PHIMTYICSA-N -1 3 314.349 2.320 20 5 DEBDHM Nc1c([N+](=O)[O-])ccc(N[C@H]2CCC[C@@H](F)C2)c1-c1nnn[n-]1 ZINC001592756622 1076957568 /nfs/dbraw/zinc/95/75/68/1076957568.db2.gz DLXIWGTZGHAZDJ-SFYZADRCSA-N -1 3 321.316 2.050 20 5 DEBDHM Nc1c([N+](=O)[O-])ccc(N[C@H]2CCC[C@@H](F)C2)c1-c1nn[n-]n1 ZINC001592756622 1076957571 /nfs/dbraw/zinc/95/75/71/1076957571.db2.gz DLXIWGTZGHAZDJ-SFYZADRCSA-N -1 3 321.316 2.050 20 5 DEBDHM Nc1c([N+](=O)[O-])ccc(N[C@H]2CCC[C@H](F)C2)c1-c1nnn[n-]1 ZINC001592756623 1076957690 /nfs/dbraw/zinc/95/76/90/1076957690.db2.gz DLXIWGTZGHAZDJ-YUMQZZPRSA-N -1 3 321.316 2.050 20 5 DEBDHM Nc1c([N+](=O)[O-])ccc(N[C@H]2CCC[C@H](F)C2)c1-c1nn[n-]n1 ZINC001592756623 1076957693 /nfs/dbraw/zinc/95/76/93/1076957693.db2.gz DLXIWGTZGHAZDJ-YUMQZZPRSA-N -1 3 321.316 2.050 20 5 DEBDHM Nc1c([N+](=O)[O-])ccc(N[C@@H]2CCC[C@H](F)C2)c1-c1nnn[n-]1 ZINC001592756621 1076957793 /nfs/dbraw/zinc/95/77/93/1076957793.db2.gz DLXIWGTZGHAZDJ-JGVFFNPUSA-N -1 3 321.316 2.050 20 5 DEBDHM Nc1c([N+](=O)[O-])ccc(N[C@@H]2CCC[C@H](F)C2)c1-c1nn[n-]n1 ZINC001592756621 1076957797 /nfs/dbraw/zinc/95/77/97/1076957797.db2.gz DLXIWGTZGHAZDJ-JGVFFNPUSA-N -1 3 321.316 2.050 20 5 DEBDHM Nc1c([N+](=O)[O-])ccc(NC2CCCCCC2)c1-c1nnn[n-]1 ZINC001592758052 1076958398 /nfs/dbraw/zinc/95/83/98/1076958398.db2.gz RDDGWNBBRUUXMS-UHFFFAOYSA-N -1 3 317.353 2.492 20 5 DEBDHM Nc1c([N+](=O)[O-])ccc(NC2CCCCCC2)c1-c1nn[n-]n1 ZINC001592758052 1076958400 /nfs/dbraw/zinc/95/84/00/1076958400.db2.gz RDDGWNBBRUUXMS-UHFFFAOYSA-N -1 3 317.353 2.492 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1Cc2ccccc2CO1 ZINC001593468401 1077006116 /nfs/dbraw/zinc/00/61/16/1077006116.db2.gz MUQBIGKPVVIOAX-UHFFFAOYSA-N -1 3 324.300 2.227 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1Cc2ccccc2CO1 ZINC001593468401 1077006123 /nfs/dbraw/zinc/00/61/23/1077006123.db2.gz MUQBIGKPVVIOAX-UHFFFAOYSA-N -1 3 324.300 2.227 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1SCc1ccco1 ZINC001593472950 1077007287 /nfs/dbraw/zinc/00/72/87/1077007287.db2.gz FSHMUGVYIZDGEP-UHFFFAOYSA-N -1 3 304.291 2.055 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1SCc1ccco1 ZINC001593472950 1077007292 /nfs/dbraw/zinc/00/72/92/1077007292.db2.gz 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Cc1cccc(N(C)C(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)n1 ZINC000345529150 403368075 /nfs/dbraw/zinc/36/80/75/403368075.db2.gz PKKYJQBIGIFKFH-UHFFFAOYSA-N -1 3 311.301 2.451 20 5 DEBDHM CCCN(CCN1CCCC1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000286431689 403525518 /nfs/dbraw/zinc/52/55/18/403525518.db2.gz BQVTYMIULRIKLI-UHFFFAOYSA-N -1 3 321.377 2.248 20 5 DEBDHM Cc1ccc(S(=O)(=O)[N-]C2CCSCC2)c([N+](=O)[O-])c1 ZINC000337729267 404206389 /nfs/dbraw/zinc/20/63/89/404206389.db2.gz DOXPGMQDLUGOMV-UHFFFAOYSA-N -1 3 316.404 2.077 20 5 DEBDHM O=C(NC[C@@H]1CCCCN1C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436910599 405160301 /nfs/dbraw/zinc/16/03/01/405160301.db2.gz PWKUTIQGOBGZAU-ZDUSSCGKSA-N -1 3 319.361 2.047 20 5 DEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1F ZINC000416594395 405191727 /nfs/dbraw/zinc/19/17/27/405191727.db2.gz PAZSCLWYGBOHOF-NXEZZACHSA-N -1 3 302.327 2.154 20 5 DEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccco1 ZINC000416644839 405205890 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CCOc1cc(CN2CCC[C@@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000568068843 406187841 /nfs/dbraw/zinc/18/78/41/406187841.db2.gz TXVFUMGQUPZNOW-GFCCVEGCSA-N -1 3 308.334 2.290 20 5 DEBDHM O=C(c1cccc2[n-]nnc21)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000526115089 406547989 /nfs/dbraw/zinc/54/79/89/406547989.db2.gz HOUSLTVWWPTSEW-UHFFFAOYSA-N -1 3 323.312 2.065 20 5 DEBDHM O=C(c1cccc2nn[n-]c21)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000526115089 406547992 /nfs/dbraw/zinc/54/79/92/406547992.db2.gz HOUSLTVWWPTSEW-UHFFFAOYSA-N -1 3 323.312 2.065 20 5 DEBDHM O=C(c1cccc2n[n-]nc21)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000526115089 406547994 /nfs/dbraw/zinc/54/79/94/406547994.db2.gz HOUSLTVWWPTSEW-UHFFFAOYSA-N -1 3 323.312 2.065 20 5 DEBDHM C[C@@H]1CCC[C@H](C)N1CCNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000571330845 406506956 /nfs/dbraw/zinc/50/69/56/406506956.db2.gz NGCVITXPEBDSJN-PHIMTYICSA-N -1 3 322.365 2.363 20 5 DEBDHM C[C@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000572884624 406759141 /nfs/dbraw/zinc/75/91/41/406759141.db2.gz NKXFHZIXOMKVOW-WDEREUQCSA-N -1 3 322.365 2.220 20 5 DEBDHM CSC[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000129119779 196021132 /nfs/dbraw/zinc/02/11/32/196021132.db2.gz UHZQUHVGDHGIRV-SSDOTTSWSA-N -1 3 324.811 2.278 20 5 DEBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000132005320 196218380 /nfs/dbraw/zinc/21/83/80/196218380.db2.gz YOLGMQJIUSESJE-VHSXEESVSA-N -1 3 314.363 2.070 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2noc([N-][C@@H]3CCCCC[C@@H]3O)n2)cc1 ZINC000340952666 424951084 /nfs/dbraw/zinc/95/10/84/424951084.db2.gz ANDHJHWSLLOHOR-OLZOCXBDSA-N -1 3 318.333 2.750 20 5 DEBDHM Cc1cccc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1[O-] ZINC000517622677 269388898 /nfs/dbraw/zinc/38/88/98/269388898.db2.gz KFJZCQDAJBZOGU-UHFFFAOYSA-N -1 3 316.313 2.418 20 5 DEBDHM CCN1C[C@H](C)N(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@H]1C ZINC000573210541 326033716 /nfs/dbraw/zinc/03/37/16/326033716.db2.gz LYAVZYNOMWTZDE-MNOVXSKESA-N -1 3 307.350 2.212 20 5 DEBDHM CC(C)Oc1cc(C(=O)[N-]c2nncs2)ccc1[N+](=O)[O-] ZINC000411249975 528102883 /nfs/dbraw/zinc/10/28/83/528102883.db2.gz FGQFSFMHYISZTF-UHFFFAOYSA-N -1 3 308.319 2.486 20 5 DEBDHM CC1(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCCC1 ZINC000736217044 598537511 /nfs/dbraw/zinc/53/75/11/598537511.db2.gz QFHDGSJQXFXFBG-UHFFFAOYSA-N -1 3 303.326 2.162 20 5 DEBDHM CC1(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCCC1 ZINC000736217044 598537513 /nfs/dbraw/zinc/53/75/13/598537513.db2.gz QFHDGSJQXFXFBG-UHFFFAOYSA-N -1 3 303.326 2.162 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@H]1C1CC1 ZINC000738359552 598674033 /nfs/dbraw/zinc/67/40/33/598674033.db2.gz SVAXZNDKHAFERM-NSHDSACASA-N -1 3 300.322 2.154 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@H]1C1CC1 ZINC000738359552 598674035 /nfs/dbraw/zinc/67/40/35/598674035.db2.gz SVAXZNDKHAFERM-NSHDSACASA-N -1 3 300.322 2.154 20 5 DEBDHM O=[N+]([O-])c1cnc(NC/C=C/c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000738374219 598794509 /nfs/dbraw/zinc/79/45/09/598794509.db2.gz LGHMXCVXNCIKAS-QPJJXVBHSA-N -1 3 323.316 2.295 20 5 DEBDHM O=[N+]([O-])c1cnc(NC/C=C/c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000738374219 598794510 /nfs/dbraw/zinc/79/45/10/598794510.db2.gz LGHMXCVXNCIKAS-QPJJXVBHSA-N -1 3 323.316 2.295 20 5 DEBDHM O=[N+]([O-])c1c(Oc2ccc(-c3nn[n-]n3)cc2)nc2ccccn21 ZINC000738357094 599324932 /nfs/dbraw/zinc/32/49/32/599324932.db2.gz BEBMGZWPZNWTLM-UHFFFAOYSA-N -1 3 323.272 2.215 20 5 DEBDHM C[C@@H](CN(Cn1ncc2ccc([N+](=O)[O-])cc21)C1CC1)C(=O)[O-] ZINC000736583413 599933612 /nfs/dbraw/zinc/93/36/12/599933612.db2.gz QOLSEICUFZYMHU-JTQLQIEISA-N -1 3 318.333 2.087 20 5 DEBDHM CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000830094439 601531418 /nfs/dbraw/zinc/53/14/18/601531418.db2.gz CQPBEBKUVYXFAW-ZWNOBZJWSA-N -1 3 308.334 2.146 20 5 DEBDHM CC(C)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824184772 607521975 /nfs/dbraw/zinc/52/19/75/607521975.db2.gz LJJQAYKKNROWGH-UHFFFAOYSA-N -1 3 310.701 2.023 20 5 DEBDHM CC(C)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824184772 607521976 /nfs/dbraw/zinc/52/19/76/607521976.db2.gz LJJQAYKKNROWGH-UHFFFAOYSA-N -1 3 310.701 2.023 20 5 DEBDHM C[C@H]1C[C@@H](CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC000824883449 608195609 /nfs/dbraw/zinc/19/56/09/608195609.db2.gz HCWIIPQTGMLZLP-UWVGGRQHSA-N -1 3 318.337 2.002 20 5 DEBDHM C[C@H]1C[C@@H](CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC000824883449 608195610 /nfs/dbraw/zinc/19/56/10/608195610.db2.gz HCWIIPQTGMLZLP-UWVGGRQHSA-N -1 3 318.337 2.002 20 5 DEBDHM Cc1nc2c(c(=O)[n-]1)CN(Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC000931312603 625731297 /nfs/dbraw/zinc/73/12/97/625731297.db2.gz WJPJDWBIQMWWJC-UHFFFAOYSA-N -1 3 304.281 2.054 20 5 DEBDHM Cc1noc(C)c1[N-]C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778250029 642359976 /nfs/dbraw/zinc/35/99/76/642359976.db2.gz LPWUYOXFHJRTHH-UHFFFAOYSA-N -1 3 319.302 2.457 20 5 DEBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CC[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000903625270 643408039 /nfs/dbraw/zinc/40/80/39/643408039.db2.gz IIKBXKHUZNOTRC-DOMZBBRYSA-N -1 3 320.345 2.294 20 5 DEBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@H]3CCC[C@@H]32)c([N+](=O)[O-])s1 ZINC000907956224 644701511 /nfs/dbraw/zinc/70/15/11/644701511.db2.gz AAGGRCJJHYRSIU-KXUCPTDWSA-N -1 3 316.404 2.432 20 5 DEBDHM Cc1cc([N+](=O)[O-])cc(C(=O)OCc2cc(=O)c([O-])co2)c1F ZINC000803462144 645657120 /nfs/dbraw/zinc/65/71/20/645657120.db2.gz FPRAPZUUAJEDNV-UHFFFAOYSA-N -1 3 323.232 2.058 20 5 DEBDHM CC(C)OCCO[N-]C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000832337228 649698862 /nfs/dbraw/zinc/69/88/62/649698862.db2.gz OJNONDUREQOMNP-UHFFFAOYSA-N -1 3 324.333 2.031 20 5 DEBDHM O=C([N-][C@@H]1CCn2ccnc21)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000833277657 649760242 /nfs/dbraw/zinc/76/02/42/649760242.db2.gz FLCSDYLUYMJLKV-LLVKDONJSA-N -1 3 322.271 2.144 20 5 DEBDHM O=C([N-][C@H]1CCn2cncc21)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000857982546 652228964 /nfs/dbraw/zinc/22/89/64/652228964.db2.gz PNUAPBDKPZLOPI-NSHDSACASA-N -1 3 322.271 2.144 20 5 DEBDHM CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC=C(C(=O)[O-])C1 ZINC000853037872 652492893 /nfs/dbraw/zinc/49/28/93/652492893.db2.gz VOLJLHXEOIECCU-GFCCVEGCSA-N -1 3 306.318 2.257 20 5 DEBDHM CC(C)(C)OC(=O)[C@]1(C)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853679010 652588486 /nfs/dbraw/zinc/58/84/86/652588486.db2.gz UYEHTMDSHGTTCZ-OAHLLOKOSA-N -1 3 323.349 2.254 20 5 DEBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C1=CCCC1 ZINC001106723479 782886834 /nfs/dbraw/zinc/88/68/34/782886834.db2.gz QRDOJCRVWIUCOK-UHFFFAOYSA-N -1 3 320.349 2.066 20 5 DEBDHM CCN(CCNC(=O)CCC(C)C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100459028 776898824 /nfs/dbraw/zinc/89/88/24/776898824.db2.gz VLOJYIGRZROPGJ-UHFFFAOYSA-N -1 3 324.381 2.074 20 5 DEBDHM CCN(CCNC(=O)CC(C)(C)C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100473922 792674275 /nfs/dbraw/zinc/67/42/75/792674275.db2.gz NTVRYLKKDWNCHX-UHFFFAOYSA-N -1 3 324.381 2.074 20 5 DEBDHM O=C(CC1CCCC1)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094288936 792817920 /nfs/dbraw/zinc/81/79/20/792817920.db2.gz STIPMYZVOSKSTP-UHFFFAOYSA-N -1 3 322.365 2.194 20 5 DEBDHM Cc1ccc(CNC(=O)c2cccc3n[n-]nc32)cc1[N+](=O)[O-] ZINC001152095549 797142610 /nfs/dbraw/zinc/14/26/10/797142610.db2.gz UHZRENBQKWAFDT-UHFFFAOYSA-N -1 3 311.301 2.105 20 5 DEBDHM CCC[C@@H](C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001194234265 797692203 /nfs/dbraw/zinc/69/22/03/797692203.db2.gz RXEQJUMNDCLELU-SNVBAGLBSA-N -1 3 301.368 2.094 20 5 DEBDHM NC(=O)c1ccc(Cl)nc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199802110 798541709 /nfs/dbraw/zinc/54/17/09/798541709.db2.gz MAHMIZJUNWVABD-UHFFFAOYSA-N -1 3 308.681 2.191 20 5 DEBDHM Cc1cc(Nc2cnc(C)[n-]c2=O)nc2ccc([N+](=O)[O-])cc12 ZINC001162297156 799053202 /nfs/dbraw/zinc/05/32/02/799053202.db2.gz AEYAZEMUJFKQAC-ZDUSSCGKSA-N -1 3 311.301 2.261 20 5 DEBDHM Cc1ccc([O-])c(-c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)n1 ZINC001213699601 801634260 /nfs/dbraw/zinc/63/42/60/801634260.db2.gz RSEFTIDPGNNSBZ-UHFFFAOYSA-N -1 3 317.236 2.255 20 5 DEBDHM O=[N+]([O-])c1cc2[n-]c(O[C@H]3CNCC3(F)F)nc2cc1Cl ZINC001218239647 802159663 /nfs/dbraw/zinc/15/96/63/802159663.db2.gz PXYMWHBKYHDSJE-VIFPVBQESA-N -1 3 318.667 2.110 20 5 DEBDHM O=[N+]([O-])c1cc2nc(O[C@H]3CNCC3(F)F)[n-]c2cc1Cl ZINC001218239647 802159666 /nfs/dbraw/zinc/15/96/66/802159666.db2.gz PXYMWHBKYHDSJE-VIFPVBQESA-N -1 3 318.667 2.110 20 5 DEBDHM COC(=O)[C@H]1CCC[C@H](Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])C1 ZINC001228688623 803395646 /nfs/dbraw/zinc/39/56/46/803395646.db2.gz LKUZWFUXPGUNRM-UWVGGRQHSA-N -1 3 310.306 2.114 20 5 DEBDHM C[C@H](C(=O)[O-])N(C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162335833 959209149 /nfs/dbraw/zinc/20/91/49/959209149.db2.gz ZSVBUMZAIQWTPS-SSDOTTSWSA-N -1 3 317.139 2.262 20 5 DEBDHM C[C@@H]1CC(Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC001603860302 1070123178 /nfs/dbraw/zinc/12/31/78/1070123178.db2.gz BAZRPOSYSNDCKY-RKDXNWHRSA-N -1 3 318.337 2.143 20 5 DEBDHM C[C@@H]1CC(Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC001603860302 1070123184 /nfs/dbraw/zinc/12/31/84/1070123184.db2.gz BAZRPOSYSNDCKY-RKDXNWHRSA-N -1 3 318.337 2.143 20 5 DEBDHM C[C@@H]1CCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H]1F ZINC001603909850 1070146013 /nfs/dbraw/zinc/14/60/13/1070146013.db2.gz OZUZTLQEPQQWJL-GMSGAONNSA-N -1 3 324.291 2.098 20 5 DEBDHM C[C@@H]1CCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H]1F ZINC001603909850 1070146015 /nfs/dbraw/zinc/14/60/15/1070146015.db2.gz OZUZTLQEPQQWJL-GMSGAONNSA-N -1 3 324.291 2.098 20 5 DEBDHM C[C@@H]1CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C[C@H](C)S1 ZINC001603936827 1070153256 /nfs/dbraw/zinc/15/32/56/1070153256.db2.gz AKNCRSURKROLEL-DTORHVGOSA-N -1 3 320.378 2.105 20 5 DEBDHM C[C@@H]1CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C[C@H](C)S1 ZINC001603936827 1070153258 /nfs/dbraw/zinc/15/32/58/1070153258.db2.gz AKNCRSURKROLEL-DTORHVGOSA-N -1 3 320.378 2.105 20 5 DEBDHM CCC(C)(C)OCCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603984307 1070163421 /nfs/dbraw/zinc/16/34/21/1070163421.db2.gz IJODHEGZLKECJT-UHFFFAOYSA-N -1 3 320.353 2.392 20 5 DEBDHM CS[C@@H](C)CNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001605368097 1070689723 /nfs/dbraw/zinc/68/97/23/1070689723.db2.gz YMMDUKDROYIWKG-QMMMGPOBSA-N -1 3 308.367 2.247 20 5 DEBDHM CS[C@@H](C)CNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001605368097 1070689725 /nfs/dbraw/zinc/68/97/25/1070689725.db2.gz YMMDUKDROYIWKG-QMMMGPOBSA-N -1 3 308.367 2.247 20 5 DEBDHM Cc1cc(N2C[C@@H](C)[C@H](C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605688958 1070841079 /nfs/dbraw/zinc/84/10/79/1070841079.db2.gz ICQQCQRRCNADNS-NXEZZACHSA-N -1 3 302.338 2.176 20 5 DEBDHM Cc1cc(N2C[C@@H](C)[C@H](C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605688958 1070841100 /nfs/dbraw/zinc/84/11/00/1070841100.db2.gz ICQQCQRRCNADNS-NXEZZACHSA-N -1 3 302.338 2.176 20 5 DEBDHM Cc1occc1CN(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001606176571 1071064105 /nfs/dbraw/zinc/06/41/05/1071064105.db2.gz ZGBJTJLPFDKWJF-UHFFFAOYSA-N -1 3 314.305 2.313 20 5 DEBDHM Cc1occc1CN(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001606176571 1071064119 /nfs/dbraw/zinc/06/41/19/1071064119.db2.gz ZGBJTJLPFDKWJF-UHFFFAOYSA-N -1 3 314.305 2.313 20 5 DEBDHM COC/C(C)=C\CN[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001606792967 1071215069 /nfs/dbraw/zinc/21/50/69/1071215069.db2.gz FROAOXNKVMSWFY-QARUFBMTSA-N -1 3 308.334 2.077 20 5 DEBDHM Cc1ccc(N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)c([N+](=O)[O-])c1 ZINC001613030438 1078115628 /nfs/dbraw/zinc/11/56/28/1078115628.db2.gz SMNJKWWLHKPOFR-NSHDSACASA-N -1 3 315.333 2.090 20 5 DEBDHM C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])O2 ZINC001643199984 1078790165 /nfs/dbraw/zinc/79/01/65/1078790165.db2.gz QZTULMKWPGFVPJ-DZHLUBAWSA-N -1 3 323.349 2.080 20 5 DEBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)[N-]OCCOc1ccccc1 ZINC001647915051 1074983981 /nfs/dbraw/zinc/98/39/81/1074983981.db2.gz JMAUSZDMIZZKRP-UHFFFAOYSA-N -1 3 316.313 2.264 20 5 DEBDHM O=c1cc(CNc2ncccc2[N+](=O)[O-])nc(C2CCC2)[n-]1 ZINC001559248875 1075116296 /nfs/dbraw/zinc/11/62/96/1075116296.db2.gz NYLMASDWDWRPDO-UHFFFAOYSA-N -1 3 301.306 2.365 20 5 DEBDHM C=C/C=C/CC[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001561882711 1075156312 /nfs/dbraw/zinc/15/63/12/1075156312.db2.gz YROWDTROFBBEGI-SNAWJCMRSA-N -1 3 314.338 2.453 20 5 DEBDHM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCNCC12CCCCC2 ZINC001580811752 1076000820 /nfs/dbraw/zinc/00/08/20/1076000820.db2.gz ICKSVSGNCWAOQQ-UHFFFAOYSA-N -1 3 319.361 2.049 20 5 DEBDHM CC(C)[S@](C)(=O)=NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC001584896426 1076327725 /nfs/dbraw/zinc/32/77/25/1076327725.db2.gz NQMDGQNBYPEORK-NRFANRHFSA-N -1 3 310.335 2.118 20 5 DEBDHM CC(C)=CCCNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001589377162 1076488095 /nfs/dbraw/zinc/48/80/95/1076488095.db2.gz MEOMRJPBGWIGHX-UHFFFAOYSA-N -1 3 303.326 2.125 20 5 DEBDHM CC(C)=CCCNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001589377162 1076488096 /nfs/dbraw/zinc/48/80/96/1076488096.db2.gz MEOMRJPBGWIGHX-UHFFFAOYSA-N -1 3 303.326 2.125 20 5 DEBDHM CC1(C)OCC[C@@H]1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590119601 1076567928 /nfs/dbraw/zinc/56/79/28/1076567928.db2.gz SIRZXESZAPSOAU-SECBINFHSA-N -1 3 318.337 2.002 20 5 DEBDHM CC1(C)OCC[C@@H]1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590119601 1076567932 /nfs/dbraw/zinc/56/79/32/1076567932.db2.gz SIRZXESZAPSOAU-SECBINFHSA-N -1 3 318.337 2.002 20 5 DEBDHM C[C@@]1(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCCS1 ZINC001590134356 1076570060 /nfs/dbraw/zinc/57/00/60/1076570060.db2.gz WOZSUHYACJVUSZ-ZDUSSCGKSA-N -1 3 320.378 2.473 20 5 DEBDHM C[C@@]1(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCCS1 ZINC001590134356 1076570066 /nfs/dbraw/zinc/57/00/66/1076570066.db2.gz WOZSUHYACJVUSZ-ZDUSSCGKSA-N -1 3 320.378 2.473 20 5 DEBDHM C[C@@H]1C[C@@H](CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)[C@H](C)O1 ZINC001590193748 1076581648 /nfs/dbraw/zinc/58/16/48/1076581648.db2.gz TUIDRVWRUPSFEN-UTLUCORTSA-N -1 3 318.337 2.000 20 5 DEBDHM CC[C@H](CSCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])OC ZINC001590450761 1076629255 /nfs/dbraw/zinc/62/92/55/1076629255.db2.gz YOOXEBPEFMIRSN-SECBINFHSA-N -1 3 323.378 2.433 20 5 DEBDHM CC[C@H](CSCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])OC ZINC001590450761 1076629257 /nfs/dbraw/zinc/62/92/57/1076629257.db2.gz YOOXEBPEFMIRSN-SECBINFHSA-N -1 3 323.378 2.433 20 5 DEBDHM CC[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001590514688 1076645795 /nfs/dbraw/zinc/64/57/95/1076645795.db2.gz WRKQXNBAAPEBCR-JTQLQIEISA-N -1 3 317.353 2.186 20 5 DEBDHM CC[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001590514688 1076645800 /nfs/dbraw/zinc/64/58/00/1076645800.db2.gz WRKQXNBAAPEBCR-JTQLQIEISA-N -1 3 317.353 2.186 20 5 DEBDHM CC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590512652 1076646129 /nfs/dbraw/zinc/64/61/29/1076646129.db2.gz IRJAFYRWMWJAOV-JTQLQIEISA-N -1 3 302.338 2.401 20 5 DEBDHM CC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590512652 1076646131 /nfs/dbraw/zinc/64/61/31/1076646131.db2.gz IRJAFYRWMWJAOV-JTQLQIEISA-N -1 3 302.338 2.401 20 5 DEBDHM CCOCCCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590811547 1076679698 /nfs/dbraw/zinc/67/96/98/1076679698.db2.gz XTDRSVAQGBSUIF-UHFFFAOYSA-N -1 3 306.326 2.004 20 5 DEBDHM CCOCCCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590811547 1076679700 /nfs/dbraw/zinc/67/97/00/1076679700.db2.gz XTDRSVAQGBSUIF-UHFFFAOYSA-N -1 3 306.326 2.004 20 5 DEBDHM CO[C@@H]1CCC[C@@H]1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591362242 1076733888 /nfs/dbraw/zinc/73/38/88/1076733888.db2.gz QUAKWMIMHZQRIG-BXKDBHETSA-N -1 3 318.337 2.002 20 5 DEBDHM CO[C@@H]1CCC[C@@H]1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591362242 1076733891 /nfs/dbraw/zinc/73/38/91/1076733891.db2.gz QUAKWMIMHZQRIG-BXKDBHETSA-N -1 3 318.337 2.002 20 5 DEBDHM C[C@@H]1c2ccccc2CN1c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591758759 1076781500 /nfs/dbraw/zinc/78/15/00/1076781500.db2.gz GXPXSCJIPNDNCD-SECBINFHSA-N -1 3 323.316 2.251 20 5 DEBDHM C[C@@H]1c2ccccc2CN1c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591758759 1076781502 /nfs/dbraw/zinc/78/15/02/1076781502.db2.gz GXPXSCJIPNDNCD-SECBINFHSA-N -1 3 323.316 2.251 20 5 DEBDHM Cc1cc(Oc2ccc(F)nc2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592062145 1076842013 /nfs/dbraw/zinc/84/20/13/1076842013.db2.gz AOSWLHIYKHNQNM-UHFFFAOYSA-N -1 3 316.252 2.410 20 5 DEBDHM Cc1cc(Oc2ccc(F)nc2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592062145 1076842022 /nfs/dbraw/zinc/84/20/22/1076842022.db2.gz AOSWLHIYKHNQNM-UHFFFAOYSA-N -1 3 316.252 2.410 20 5 DEBDHM Cc1ccc(CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])o1 ZINC001592167000 1076865545 /nfs/dbraw/zinc/86/55/45/1076865545.db2.gz UBHDLILTLRZMDW-UHFFFAOYSA-N -1 3 318.268 2.428 20 5 DEBDHM Cc1ccc(CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])o1 ZINC001592167000 1076865551 /nfs/dbraw/zinc/86/55/51/1076865551.db2.gz UBHDLILTLRZMDW-UHFFFAOYSA-N -1 3 318.268 2.428 20 5 DEBDHM Cc1ccc(CNc2cccnc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001592166481 1076865934 /nfs/dbraw/zinc/86/59/34/1076865934.db2.gz AUVWASHHIWOAIA-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1ccc(CNc2cccnc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001592166481 1076865937 /nfs/dbraw/zinc/86/59/37/1076865937.db2.gz AUVWASHHIWOAIA-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1ccc(CSc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)o1 ZINC001592169182 1076866239 /nfs/dbraw/zinc/86/62/39/1076866239.db2.gz PMSMNKWXLLBWBQ-UHFFFAOYSA-N -1 3 318.318 2.364 20 5 DEBDHM Cc1occc1CN(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592511127 1076923255 /nfs/dbraw/zinc/92/32/55/1076923255.db2.gz GFXZDWHUOAVRSZ-UHFFFAOYSA-N -1 3 314.305 2.313 20 5 DEBDHM Cc1occc1CN(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592511127 1076923258 /nfs/dbraw/zinc/92/32/58/1076923258.db2.gz GFXZDWHUOAVRSZ-UHFFFAOYSA-N -1 3 314.305 2.313 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCC2(CCC2)C1 ZINC001593474094 1077006796 /nfs/dbraw/zinc/00/67/96/1077006796.db2.gz DZTRKVNEJISLHL-UHFFFAOYSA-N -1 3 300.322 2.155 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCC2(CCC2)C1 ZINC001593474094 1077006802 /nfs/dbraw/zinc/00/68/02/1077006802.db2.gz DZTRKVNEJISLHL-UHFFFAOYSA-N -1 3 300.322 2.155 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCC1(F)CCC1 ZINC001593471975 1077007583 /nfs/dbraw/zinc/00/75/83/1077007583.db2.gz WXNLCKWWCGAAAL-UHFFFAOYSA-N -1 3 306.301 2.469 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCC1(F)CCC1 ZINC001593471975 1077007587 /nfs/dbraw/zinc/00/75/87/1077007587.db2.gz WXNLCKWWCGAAAL-UHFFFAOYSA-N -1 3 306.301 2.469 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@H]1C[C@@H]1c1cccnc1 ZINC001593483006 1077009453 /nfs/dbraw/zinc/00/94/53/1077009453.db2.gz KEPVAIWWADYRFL-NEPJUHHUSA-N -1 3 323.316 2.138 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@H]1C[C@@H]1c1cccnc1 ZINC001593483006 1077009455 /nfs/dbraw/zinc/00/94/55/1077009455.db2.gz KEPVAIWWADYRFL-NEPJUHHUSA-N -1 3 323.316 2.138 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCC[C@@H]1CCCCO1 ZINC001593481567 1077010237 /nfs/dbraw/zinc/01/02/37/1077010237.db2.gz RWXLKSNQAABASD-JTQLQIEISA-N -1 3 318.337 2.146 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCC[C@@H]1CCCCO1 ZINC001593481567 1077010241 /nfs/dbraw/zinc/01/02/41/1077010241.db2.gz RWXLKSNQAABASD-JTQLQIEISA-N -1 3 318.337 2.146 20 5 DEBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)c1cccc([N+](=O)[O-])c1 ZINC001609126282 1077768291 /nfs/dbraw/zinc/76/82/91/1077768291.db2.gz NDFLINYLNXQQLI-SECBINFHSA-N -1 3 311.305 2.343 20 5 DEBDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)c1cccc([N+](=O)[O-])c1 ZINC001609126282 1077768293 /nfs/dbraw/zinc/76/82/93/1077768293.db2.gz NDFLINYLNXQQLI-SECBINFHSA-N -1 3 311.305 2.343 20 5 DEBDHM C[C@@H]1CCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCS1 ZINC001609168861 1077783381 /nfs/dbraw/zinc/78/33/81/1077783381.db2.gz PMUWWQXEGYIPDA-SECBINFHSA-N -1 3 320.378 2.107 20 5 DEBDHM C[C@@H]1CCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCS1 ZINC001609168861 1077783384 /nfs/dbraw/zinc/78/33/84/1077783384.db2.gz PMUWWQXEGYIPDA-SECBINFHSA-N -1 3 320.378 2.107 20 5 DEBDHM CO[C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609332793 1077835063 /nfs/dbraw/zinc/83/50/63/1077835063.db2.gz OMJOIUFIEJMLMT-STQMWFEESA-N -1 3 318.337 2.144 20 5 DEBDHM CO[C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609332793 1077835068 /nfs/dbraw/zinc/83/50/68/1077835068.db2.gz OMJOIUFIEJMLMT-STQMWFEESA-N -1 3 318.337 2.144 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001609600094 1077880918 /nfs/dbraw/zinc/88/09/18/1077880918.db2.gz PWWSRGXUBZUSPK-FBIMIBRVSA-N -1 3 300.322 2.375 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001609600094 1077880919 /nfs/dbraw/zinc/88/09/19/1077880919.db2.gz PWWSRGXUBZUSPK-FBIMIBRVSA-N -1 3 300.322 2.375 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCC1CCCCC1 ZINC001609600371 1077880929 /nfs/dbraw/zinc/88/09/29/1077880929.db2.gz GBLIAOIPVCOSPT-UHFFFAOYSA-N -1 3 303.326 2.162 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCC1CCCCC1 ZINC001609600371 1077880931 /nfs/dbraw/zinc/88/09/31/1077880931.db2.gz GBLIAOIPVCOSPT-UHFFFAOYSA-N -1 3 303.326 2.162 20 5 DEBDHM O=[N+]([O-])c1cc(C=Cc2ccc(-c3nnn[n-]3)cn2)cs1 ZINC001609600506 1077881376 /nfs/dbraw/zinc/88/13/76/1077881376.db2.gz NHUMQOUSASFGNR-IWQZZHSRSA-N -1 3 300.303 2.402 20 5 DEBDHM O=[N+]([O-])c1cc(C=Cc2ccc(-c3nn[n-]n3)cn2)cs1 ZINC001609600506 1077881379 /nfs/dbraw/zinc/88/13/79/1077881379.db2.gz NHUMQOUSASFGNR-IWQZZHSRSA-N -1 3 300.303 2.402 20 5 DEBDHM O=[N+]([O-])c1cnc(N[C@@H]2C[C@H]2c2ccccc2)c(-c2nnn[n-]2)c1 ZINC001609604516 1077882457 /nfs/dbraw/zinc/88/24/57/1077882457.db2.gz UIJDVRPXRVQYIY-WCQYABFASA-N -1 3 323.316 2.138 20 5 DEBDHM O=[N+]([O-])c1cnc(N[C@@H]2C[C@H]2c2ccccc2)c(-c2nn[n-]n2)c1 ZINC001609604516 1077882460 /nfs/dbraw/zinc/88/24/60/1077882460.db2.gz UIJDVRPXRVQYIY-WCQYABFASA-N -1 3 323.316 2.138 20 5 DEBDHM O=C(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])Nc1ccccc1 ZINC001655129661 1079986573 /nfs/dbraw/zinc/98/65/73/1079986573.db2.gz YJFCMQJBKDQCIV-UHFFFAOYSA-N -1 3 302.290 2.136 20 5 DEBDHM Cc1nc(NCCc2c(F)cc([O-])cc2F)ncc1[N+](=O)[O-] ZINC001655887614 1080023164 /nfs/dbraw/zinc/02/31/64/1080023164.db2.gz QRFJZELYZYVUCF-UHFFFAOYSA-N -1 3 310.260 2.332 20 5 DEBDHM CC(C)(C)CC(=O)NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107035100 1080549929 /nfs/dbraw/zinc/54/99/29/1080549929.db2.gz UUINDNVFOXEFQB-PLNGDYQASA-N -1 3 322.365 2.216 20 5 DEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CCC2)c(F)c1 ZINC001664106395 1080860588 /nfs/dbraw/zinc/86/05/88/1080860588.db2.gz DNTUFUDTNZEQIW-CMPLNLGQSA-N -1 3 314.338 2.201 20 5 DEBDHM C=C/C=C/CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001665838126 1081089616 /nfs/dbraw/zinc/08/96/16/1081089616.db2.gz NXZVIIRWCDVYHH-ONEGZZNKSA-N -1 3 300.311 2.145 20 5 DEBDHM Cc1cc(C)c(-c2noc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2)cn1 ZINC001212937049 1087892223 /nfs/dbraw/zinc/89/22/23/1087892223.db2.gz KXDLHHASGZIYTF-UHFFFAOYSA-N -1 3 313.273 2.424 20 5 DEBDHM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc(C)n1 ZINC001319360420 1140556287 /nfs/dbraw/zinc/55/62/87/1140556287.db2.gz GHQQNCBWWAHXTJ-UHFFFAOYSA-N -1 3 321.358 2.138 20 5 DEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cccnc2)cc1C ZINC000060496198 354616316 /nfs/dbraw/zinc/61/63/16/354616316.db2.gz GFHOGFLIFQGBPQ-UHFFFAOYSA-N -1 3 321.358 2.085 20 5 DEBDHM Cc1ccc(S(=O)(=O)[N-]CCc2ccco2)c([N+](=O)[O-])c1 ZINC000119296766 355785293 /nfs/dbraw/zinc/78/52/93/355785293.db2.gz MDMLZDRBWMAZQM-UHFFFAOYSA-N -1 3 310.331 2.017 20 5 DEBDHM COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N)c([O-])c1 ZINC000135408799 355865627 /nfs/dbraw/zinc/86/56/27/355865627.db2.gz FVPRDIJNEQQSOP-UHFFFAOYSA-N -1 3 303.274 2.144 20 5 DEBDHM O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000594419249 358264323 /nfs/dbraw/zinc/26/43/23/358264323.db2.gz QDBATWDWWITUHC-OLZOCXBDSA-N -1 3 319.361 2.047 20 5 DEBDHM COCC[C@@H](Cc1ccco1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596191099 358635277 /nfs/dbraw/zinc/63/52/77/358635277.db2.gz HRGWPBJUJPGMOK-JTQLQIEISA-N -1 3 307.306 2.348 20 5 DEBDHM CCOc1ccc([N+](=O)[O-])cc1CNCC1(C(=O)[O-])CCC1 ZINC000596658870 358735211 /nfs/dbraw/zinc/73/52/11/358735211.db2.gz YOVHRWMETXGDRK-UHFFFAOYSA-N -1 3 308.334 2.338 20 5 DEBDHM COC(=O)c1cc([N-]C(=O)c2n[nH]c(C)c2[N+](=O)[O-])c(C)s1 ZINC000597756620 358999443 /nfs/dbraw/zinc/99/94/43/358999443.db2.gz CPCMESALZSHZPN-UHFFFAOYSA-N -1 3 324.318 2.035 20 5 DEBDHM CC(C)(C)c1nnc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)s1 ZINC000186994293 200044049 /nfs/dbraw/zinc/04/40/49/200044049.db2.gz ZLRKMMWZSFDUCE-UHFFFAOYSA-N -1 3 323.334 2.097 20 5 DEBDHM O=[N+]([O-])c1ccc(CCCC[N-]S(=O)(=O)c2ccco2)cc1 ZINC000188714669 200293433 /nfs/dbraw/zinc/29/34/33/200293433.db2.gz IJBZFAZKEMKWAJ-UHFFFAOYSA-N -1 3 324.358 2.489 20 5 DEBDHM CCC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000601492164 360053199 /nfs/dbraw/zinc/05/31/99/360053199.db2.gz KVXKGJXRZMIKIF-MWLCHTKSSA-N -1 3 314.363 2.070 20 5 DEBDHM CCC(CC)C[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000104751826 194035091 /nfs/dbraw/zinc/03/50/91/194035091.db2.gz LTXOSANELFWNBS-UHFFFAOYSA-N -1 3 316.379 2.318 20 5 DEBDHM 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DEBDHM O=C([O-])[C@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000849232120 651624835 /nfs/dbraw/zinc/62/48/35/651624835.db2.gz RAJNCLSOYCSERE-XWEPSHTISA-N -1 3 316.260 2.149 20 5 DEBDHM O=C1[N-]C(=O)C(=CNc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000016718919 683855003 /nfs/dbraw/zinc/85/50/03/683855003.db2.gz UCMWHYYORBQTRE-FMIVXFBMSA-N -1 3 309.281 2.318 20 5 DEBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000118303172 684071414 /nfs/dbraw/zinc/07/14/14/684071414.db2.gz CSXUBYQQFLGENC-UHFFFAOYSA-N -1 3 324.296 2.392 20 5 DEBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CC23CCC3)c(F)cc1[N+](=O)[O-] ZINC000872651068 689056562 /nfs/dbraw/zinc/05/65/62/689056562.db2.gz TVVUZOXTYCZVPL-GFCCVEGCSA-N -1 3 314.338 2.263 20 5 DEBDHM CC1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC(F)(F)C1 ZINC000872666855 689060891 /nfs/dbraw/zinc/06/08/91/689060891.db2.gz FNZKPLRIHLSSPP-UHFFFAOYSA-N -1 3 306.290 2.061 20 5 DEBDHM C[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC[C@@H](C(F)(F)F)O1 ZINC000872752183 689084150 /nfs/dbraw/zinc/08/41/50/689084150.db2.gz KRTVZLUVEVFKCU-CBAPKCEASA-N -1 3 321.255 2.242 20 5 DEBDHM Cc1nc2c(c(=O)[n-]1)CN(Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000931314512 694365093 /nfs/dbraw/zinc/36/50/93/694365093.db2.gz CIWQTUKUQQALNB-UHFFFAOYSA-N -1 3 304.281 2.054 20 5 DEBDHM CCC(CC)C(=O)N(C)CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001105329511 778453003 /nfs/dbraw/zinc/45/30/03/778453003.db2.gz KYJJCCGHQLPBGZ-UHFFFAOYSA-N -1 3 324.381 2.026 20 5 DEBDHM COC(=O)c1n[nH]cc1[N-]c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001169571331 785246718 /nfs/dbraw/zinc/24/67/18/785246718.db2.gz AVJSEJRTQKUHQZ-UHFFFAOYSA-N -1 3 317.305 2.122 20 5 DEBDHM CN(CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C(C)(C)C ZINC001109444539 785879650 /nfs/dbraw/zinc/87/96/50/785879650.db2.gz PQRGIPDDUBLCKK-UHFFFAOYSA-N -1 3 310.354 2.002 20 5 DEBDHM CC/C=C(/C)C(=O)N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001097152753 787993802 /nfs/dbraw/zinc/99/38/02/787993802.db2.gz JNMZAHATQPBPSQ-BVTFXBOLSA-N -1 3 320.349 2.111 20 5 DEBDHM CCC(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCCCC1 ZINC001093376072 792348874 /nfs/dbraw/zinc/34/88/74/792348874.db2.gz IDDVVDPNCRDGDY-UHFFFAOYSA-N -1 3 322.365 2.336 20 5 DEBDHM CC(C)(C)CCC(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093793551 792595442 /nfs/dbraw/zinc/59/54/42/792595442.db2.gz VSHGXCZTOKFHGV-UHFFFAOYSA-N -1 3 310.354 2.050 20 5 DEBDHM CC(C)C(=O)NCCCN(c1cc[n-]c(=O)c1[N+](=O)[O-])C(C)C ZINC001102088886 793500567 /nfs/dbraw/zinc/50/05/67/793500567.db2.gz BLHSEHUARPHICU-UHFFFAOYSA-N -1 3 324.381 2.073 20 5 DEBDHM COc1ccc([O-])c(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c1 ZINC001179875341 795197534 /nfs/dbraw/zinc/19/75/34/795197534.db2.gz RGRLEOGWMXWCFG-UHFFFAOYSA-N -1 3 317.301 2.452 20 5 DEBDHM O=c1[nH][n-]cc1CCCNc1nccc2cc([N+](=O)[O-])ccc21 ZINC001156286132 797966729 /nfs/dbraw/zinc/96/67/29/797966729.db2.gz YYPFKNZWWHWQQL-NSHDSACASA-N -1 3 313.317 2.067 20 5 DEBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccnc2OC2COC2)c1 ZINC001199815293 798544038 /nfs/dbraw/zinc/54/40/38/798544038.db2.gz YWLZEDCNQRIFKH-UHFFFAOYSA-N -1 3 303.274 2.217 20 5 DEBDHM O=[N+]([O-])c1ccc2c(c1)C[C@H](Oc1ccc(-c3nn[n-]n3)cc1)C2 ZINC001231073517 801570487 /nfs/dbraw/zinc/57/04/87/801570487.db2.gz LKXURKRDKSVICB-OAHLLOKOSA-N -1 3 323.312 2.321 20 5 DEBDHM O=c1c2cccc([O-])c2oc2cc([O-])cc(O[C@H]3CC[NH2+]C3)c12 ZINC001218180971 802150720 /nfs/dbraw/zinc/15/07/20/802150720.db2.gz GAQVAMLGNLFQBY-JTQLQIEISA-N -1 3 313.309 2.098 20 5 DEBDHM CC[C@H](NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC001595299101 980423908 /nfs/dbraw/zinc/42/39/08/980423908.db2.gz JKRXDKRQFKXBTP-GXTWGEPZSA-N -1 3 308.334 2.340 20 5 DEBDHM COC1([C@H](N[C@H](C)c2ccccc2[N+](=O)[O-])C(=O)[O-])CCC1 ZINC001599085206 997085247 /nfs/dbraw/zinc/08/52/47/997085247.db2.gz JXPMKJKTAFOCLK-ZWNOBZJWSA-N -1 3 308.334 2.268 20 5 DEBDHM CC(C)(C)SCCNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603109687 1069873828 /nfs/dbraw/zinc/87/38/28/1069873828.db2.gz CWELHEINQHBVDI-UHFFFAOYSA-N -1 3 323.382 2.114 20 5 DEBDHM CC(C)(C)SCCNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603109687 1069873852 /nfs/dbraw/zinc/87/38/52/1069873852.db2.gz CWELHEINQHBVDI-UHFFFAOYSA-N -1 3 323.382 2.114 20 5 DEBDHM C[C@@H](CN(C)c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(C)(C)C ZINC001603517760 1069980502 /nfs/dbraw/zinc/98/05/02/1069980502.db2.gz KVIYZVXXODCFJE-VIFPVBQESA-N -1 3 319.369 2.288 20 5 DEBDHM C[C@@H](CN(C)c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(C)(C)C ZINC001603517760 1069980512 /nfs/dbraw/zinc/98/05/12/1069980512.db2.gz KVIYZVXXODCFJE-VIFPVBQESA-N -1 3 319.369 2.288 20 5 DEBDHM CC1(C)C[C@@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCO1 ZINC001603765774 1070087281 /nfs/dbraw/zinc/08/72/81/1070087281.db2.gz XMSKLTVZXUIXHZ-JTQLQIEISA-N -1 3 318.337 2.144 20 5 DEBDHM CC1=C[C@@H](C)CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001603828267 1070114130 /nfs/dbraw/zinc/11/41/30/1070114130.db2.gz PUQOQSBOCUCKPA-SECBINFHSA-N -1 3 300.322 2.177 20 5 DEBDHM CC1=C[C@@H](C)CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001603828267 1070114134 /nfs/dbraw/zinc/11/41/34/1070114134.db2.gz PUQOQSBOCUCKPA-SECBINFHSA-N -1 3 300.322 2.177 20 5 DEBDHM C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CS1 ZINC001603864390 1070125241 /nfs/dbraw/zinc/12/52/41/1070125241.db2.gz YOZNFMSBMWZSCA-HTQZYQBOSA-N -1 3 306.351 2.081 20 5 DEBDHM C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CS1 ZINC001603864390 1070125245 /nfs/dbraw/zinc/12/52/45/1070125245.db2.gz YOZNFMSBMWZSCA-HTQZYQBOSA-N -1 3 306.351 2.081 20 5 DEBDHM C[C@H]1CCC[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603892138 1070140018 /nfs/dbraw/zinc/14/00/18/1070140018.db2.gz ZIBPCNSKOMESHI-DTWKUNHWSA-N -1 3 303.326 2.018 20 5 DEBDHM C[C@H]1CCC[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603892138 1070140021 /nfs/dbraw/zinc/14/00/21/1070140021.db2.gz ZIBPCNSKOMESHI-DTWKUNHWSA-N -1 3 303.326 2.018 20 5 DEBDHM CCC[C@@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])OCC ZINC001604144988 1070242736 /nfs/dbraw/zinc/24/27/36/1070242736.db2.gz VBBVAQVNTQRYJI-NSHDSACASA-N -1 3 320.353 2.392 20 5 DEBDHM CCC[C@@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])OCC ZINC001604144988 1070242751 /nfs/dbraw/zinc/24/27/51/1070242751.db2.gz VBBVAQVNTQRYJI-NSHDSACASA-N -1 3 320.353 2.392 20 5 DEBDHM CCCn1cc(Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])cn1 ZINC001604252023 1070294527 /nfs/dbraw/zinc/29/45/27/1070294527.db2.gz HFVHHHKSZJWDIY-UHFFFAOYSA-N -1 3 314.309 2.125 20 5 DEBDHM CCCn1cc(Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])cn1 ZINC001604252023 1070294538 /nfs/dbraw/zinc/29/45/38/1070294538.db2.gz HFVHHHKSZJWDIY-UHFFFAOYSA-N -1 3 314.309 2.125 20 5 DEBDHM O=[N+]([O-])c1cc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)ccc1-c1nnn[n-]1 ZINC001607078919 1071288834 /nfs/dbraw/zinc/28/88/34/1071288834.db2.gz BVGOOSLSAVAGGK-OPRDCNLKSA-N -1 3 300.322 2.375 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCCOC1CCCC1 ZINC001607082470 1071290163 /nfs/dbraw/zinc/29/01/63/1071290163.db2.gz QYECCSPFRXHOPD-UHFFFAOYSA-N -1 3 318.337 2.146 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCCOC1CCCC1 ZINC001607082470 1071290171 /nfs/dbraw/zinc/29/01/71/1071290171.db2.gz QYECCSPFRXHOPD-UHFFFAOYSA-N -1 3 318.337 2.146 20 5 DEBDHM O=[N+]([O-])c1ccc(N2Cc3ccc(O)cc3C2)c(-c2nnn[n-]2)c1 ZINC001607081812 1071291721 /nfs/dbraw/zinc/29/17/21/1071291721.db2.gz HPQMTVKARPUEFW-UHFFFAOYSA-N -1 3 324.300 2.001 20 5 DEBDHM O=[N+]([O-])c1ccc(N2Cc3ccc(O)cc3C2)c(-c2nn[n-]n2)c1 ZINC001607081812 1071291726 /nfs/dbraw/zinc/29/17/26/1071291726.db2.gz HPQMTVKARPUEFW-UHFFFAOYSA-N -1 3 324.300 2.001 20 5 DEBDHM O=[N+]([O-])c1ccc2[nH]c(Oc3ccccc3-c3nnn[n-]3)nc2c1 ZINC001607084105 1071293581 /nfs/dbraw/zinc/29/35/81/1071293581.db2.gz YERJNVDIMCJEJR-UHFFFAOYSA-N -1 3 323.272 2.444 20 5 DEBDHM O=[N+]([O-])c1ccc2[nH]c(Oc3ccccc3-c3nn[n-]n3)nc2c1 ZINC001607084105 1071293585 /nfs/dbraw/zinc/29/35/85/1071293585.db2.gz YERJNVDIMCJEJR-UHFFFAOYSA-N -1 3 323.272 2.444 20 5 DEBDHM CC(C)[C@@]1(C)C[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001463907162 1059044379 /nfs/dbraw/zinc/04/43/79/1059044379.db2.gz XGARMSWOJWGFSN-CHWSQXEVSA-N -1 3 316.354 2.447 20 5 DEBDHM CC[C@@H](C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001464048340 1059067880 /nfs/dbraw/zinc/06/78/80/1059067880.db2.gz TYJFNZFIBKGYIN-SECBINFHSA-N -1 3 304.343 2.448 20 5 DEBDHM O=C([N-]O[C@H]1CCCCO1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001627083991 1078269690 /nfs/dbraw/zinc/26/96/90/1078269690.db2.gz LEZHESVAEJHDTN-JTQLQIEISA-N -1 3 300.698 2.436 20 5 DEBDHM O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)[N-]OCc1ccccn1 ZINC001629526429 1078320060 /nfs/dbraw/zinc/32/00/60/1078320060.db2.gz ZLXGNQNZPIZRTP-UHFFFAOYSA-N -1 3 321.720 2.434 20 5 DEBDHM Cn1c(Sc2cc[n-]c(=O)c2[N+](=O)[O-])nnc1-c1ccco1 ZINC001642016495 1078739224 /nfs/dbraw/zinc/73/92/24/1078739224.db2.gz KRMQNMAKUXINJK-UHFFFAOYSA-N -1 3 319.302 2.235 20 5 DEBDHM CCOc1nc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2NC)co1 ZINC001643548575 1078803672 /nfs/dbraw/zinc/80/36/72/1078803672.db2.gz NFBQOFUXCSSVED-UHFFFAOYSA-N -1 3 306.278 2.276 20 5 DEBDHM CC(C)c1n[nH]c(C(=O)[N-]Oc2ccccc2F)c1[N+](=O)[O-] ZINC001644129310 1078830192 /nfs/dbraw/zinc/83/01/92/1078830192.db2.gz QAERDBORONDTNR-UHFFFAOYSA-N -1 3 308.269 2.304 20 5 DEBDHM CC(C)/C=C/C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589520607 1076496103 /nfs/dbraw/zinc/49/61/03/1076496103.db2.gz HNELIJCZNXWEEJ-ZZXKWVIFSA-N -1 3 317.305 2.030 20 5 DEBDHM CC(C)/C=C/C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589520607 1076496106 /nfs/dbraw/zinc/49/61/06/1076496106.db2.gz HNELIJCZNXWEEJ-ZZXKWVIFSA-N -1 3 317.305 2.030 20 5 DEBDHM C[C@@]1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCCCO1 ZINC001590134406 1076570644 /nfs/dbraw/zinc/57/06/44/1076570644.db2.gz YMESJZHVDWAKLX-AWEZNQCLSA-N -1 3 318.337 2.146 20 5 DEBDHM C[C@@]1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCCCO1 ZINC001590134406 1076570646 /nfs/dbraw/zinc/57/06/46/1076570646.db2.gz YMESJZHVDWAKLX-AWEZNQCLSA-N -1 3 318.337 2.146 20 5 DEBDHM CC1(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC(F)(F)C1 ZINC001590149266 1076573924 /nfs/dbraw/zinc/57/39/24/1076573924.db2.gz JBUTXCLRVRNSBX-UHFFFAOYSA-N -1 3 310.264 2.375 20 5 DEBDHM CC1(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC(F)(F)C1 ZINC001590149266 1076573930 /nfs/dbraw/zinc/57/39/30/1076573930.db2.gz JBUTXCLRVRNSBX-UHFFFAOYSA-N -1 3 310.264 2.375 20 5 DEBDHM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590220103 1076587956 /nfs/dbraw/zinc/58/79/56/1076587956.db2.gz RLLFNCCHTNTLQC-QCZKYFFMSA-N -1 3 314.349 2.479 20 5 DEBDHM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590220103 1076587968 /nfs/dbraw/zinc/58/79/68/1076587968.db2.gz RLLFNCCHTNTLQC-QCZKYFFMSA-N -1 3 314.349 2.479 20 5 DEBDHM CCC[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)OCC ZINC001590558356 1076652247 /nfs/dbraw/zinc/65/22/47/1076652247.db2.gz PGHSCWNTJORHLW-LLVKDONJSA-N -1 3 320.353 2.392 20 5 DEBDHM CCC[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)OCC ZINC001590558356 1076652250 /nfs/dbraw/zinc/65/22/50/1076652250.db2.gz PGHSCWNTJORHLW-LLVKDONJSA-N -1 3 320.353 2.392 20 5 DEBDHM CO[C@H](CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])C(C)(C)C ZINC001591328458 1076724216 /nfs/dbraw/zinc/72/42/16/1076724216.db2.gz FLMJVYINVYFQHC-GFCCVEGCSA-N -1 3 320.353 2.248 20 5 DEBDHM CO[C@H](CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])C(C)(C)C ZINC001591328458 1076724217 /nfs/dbraw/zinc/72/42/17/1076724217.db2.gz FLMJVYINVYFQHC-GFCCVEGCSA-N -1 3 320.353 2.248 20 5 DEBDHM CO[C@@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])CC(C)C ZINC001591328600 1076724313 /nfs/dbraw/zinc/72/43/13/1076724313.db2.gz GGYBBILOAIHXOH-LLVKDONJSA-N -1 3 320.353 2.248 20 5 DEBDHM CO[C@@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])CC(C)C ZINC001591328600 1076724316 /nfs/dbraw/zinc/72/43/16/1076724316.db2.gz GGYBBILOAIHXOH-LLVKDONJSA-N -1 3 320.353 2.248 20 5 DEBDHM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591753291 1076781358 /nfs/dbraw/zinc/78/13/58/1076781358.db2.gz OSYFBTXQEMTWGV-ZIYJGFGOSA-N -1 3 300.322 2.231 20 5 DEBDHM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591753291 1076781360 /nfs/dbraw/zinc/78/13/60/1076781360.db2.gz OSYFBTXQEMTWGV-ZIYJGFGOSA-N -1 3 300.322 2.231 20 5 DEBDHM Cc1cc(NCC2CC=CC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592044918 1076837380 /nfs/dbraw/zinc/83/73/80/1076837380.db2.gz UIZNHDSFGNXBDV-UHFFFAOYSA-N -1 3 300.322 2.461 20 5 DEBDHM Cc1cc(NCC2CC=CC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592044918 1076837382 /nfs/dbraw/zinc/83/73/82/1076837382.db2.gz UIZNHDSFGNXBDV-UHFFFAOYSA-N -1 3 300.322 2.461 20 5 DEBDHM Cc1ccc(CNc2ncccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001592167578 1076866751 /nfs/dbraw/zinc/86/67/51/1076866751.db2.gz MZNGYQNTECJDOY-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1ccc(CNc2ncccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001592167578 1076866755 /nfs/dbraw/zinc/86/67/55/1076866755.db2.gz MZNGYQNTECJDOY-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1ccc(OCc2cc(-c3nnn[n-]3)ccn2)cc1[N+](=O)[O-] ZINC001592191609 1076873913 /nfs/dbraw/zinc/87/39/13/1076873913.db2.gz XIHZEUZTARRRPK-UHFFFAOYSA-N -1 3 312.289 2.057 20 5 DEBDHM Cc1ccc(OCc2cc(-c3nn[n-]n3)ccn2)cc1[N+](=O)[O-] ZINC001592191609 1076873920 /nfs/dbraw/zinc/87/39/20/1076873920.db2.gz XIHZEUZTARRRPK-UHFFFAOYSA-N -1 3 312.289 2.057 20 5 DEBDHM Nc1c([N+](=O)[O-])ccc(NCCCCC2CC2)c1-c1nnn[n-]1 ZINC001592757530 1076958379 /nfs/dbraw/zinc/95/83/79/1076958379.db2.gz LHPSGKCWQGZEQZ-UHFFFAOYSA-N -1 3 317.353 2.349 20 5 DEBDHM Nc1c([N+](=O)[O-])ccc(NCCCCC2CC2)c1-c1nn[n-]n1 ZINC001592757530 1076958381 /nfs/dbraw/zinc/95/83/81/1076958381.db2.gz LHPSGKCWQGZEQZ-UHFFFAOYSA-N -1 3 317.353 2.349 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@]2(CC2(F)F)C1 ZINC001593468680 1077006200 /nfs/dbraw/zinc/00/62/00/1077006200.db2.gz QVMLXBJVMFDOLV-LBPRGKRZSA-N -1 3 322.275 2.010 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@]2(CC2(F)F)C1 ZINC001593468680 1077006205 /nfs/dbraw/zinc/00/62/05/1077006205.db2.gz QVMLXBJVMFDOLV-LBPRGKRZSA-N -1 3 322.275 2.010 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CSCCOC1CC1 ZINC001593467575 1077006368 /nfs/dbraw/zinc/00/63/68/1077006368.db2.gz CHTNYBFEDFCWIP-UHFFFAOYSA-N -1 3 321.362 2.187 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CSCCOC1CC1 ZINC001593467575 1077006372 /nfs/dbraw/zinc/00/63/72/1077006372.db2.gz CHTNYBFEDFCWIP-UHFFFAOYSA-N -1 3 321.362 2.187 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCc1ccsc1 ZINC001593471332 1077006702 /nfs/dbraw/zinc/00/67/02/1077006702.db2.gz SGSRKAOPTLGYMC-UHFFFAOYSA-N -1 3 316.346 2.491 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCc1ccsc1 ZINC001593471332 1077006708 /nfs/dbraw/zinc/00/67/08/1077006708.db2.gz SGSRKAOPTLGYMC-UHFFFAOYSA-N -1 3 316.346 2.491 20 5 DEBDHM O=[N+]([O-])c1cc(NC[C@@H]2CCCCS2)ccc1-c1nnn[n-]1 ZINC001593474892 1077008100 /nfs/dbraw/zinc/00/81/00/1077008100.db2.gz VKOCAEKEVQUSBY-JTQLQIEISA-N -1 3 320.378 2.473 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1SC1CCOCC1 ZINC001593475583 1077008568 /nfs/dbraw/zinc/00/85/68/1077008568.db2.gz QHWQFBAJCADGJJ-UHFFFAOYSA-N -1 3 307.335 2.046 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1SC1CCOCC1 ZINC001593475583 1077008573 /nfs/dbraw/zinc/00/85/73/1077008573.db2.gz QHWQFBAJCADGJJ-UHFFFAOYSA-N -1 3 307.335 2.046 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1SC[C@H]1CCCO1 ZINC001593474773 1077008833 /nfs/dbraw/zinc/00/88/33/1077008833.db2.gz KKHSAHSURFZIMY-SECBINFHSA-N -1 3 307.335 2.046 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1SC[C@H]1CCCO1 ZINC001593474773 1077008837 /nfs/dbraw/zinc/00/88/37/1077008837.db2.gz KKHSAHSURFZIMY-SECBINFHSA-N -1 3 307.335 2.046 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@@H]1C[C@H]1C1CCC1 ZINC001593482628 1077009343 /nfs/dbraw/zinc/00/93/43/1077009343.db2.gz FUIAAPDFDOVNGT-WDEREUQCSA-N -1 3 300.322 2.375 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@@H]1C[C@H]1C1CCC1 ZINC001593482628 1077009349 /nfs/dbraw/zinc/00/93/49/1077009349.db2.gz FUIAAPDFDOVNGT-WDEREUQCSA-N -1 3 300.322 2.375 20 5 DEBDHM O=[N+]([O-])c1cnc(NCCCC2CCC2)c(-c2nnn[n-]2)c1 ZINC001593485343 1077011469 /nfs/dbraw/zinc/01/14/69/1077011469.db2.gz RVTSMRHSJOMESB-UHFFFAOYSA-N -1 3 303.326 2.162 20 5 DEBDHM O=[N+]([O-])c1cnc(NCCCC2CCC2)c(-c2nn[n-]n2)c1 ZINC001593485343 1077011476 /nfs/dbraw/zinc/01/14/76/1077011476.db2.gz RVTSMRHSJOMESB-UHFFFAOYSA-N -1 3 303.326 2.162 20 5 DEBDHM O=[N+]([O-])c1cnc(NC[C@@H]2C[C@H]2C2CCC2)c(-c2nnn[n-]2)c1 ZINC001593484880 1077011687 /nfs/dbraw/zinc/01/16/87/1077011687.db2.gz LRJCQMNEDQQKRL-ONGXEEELSA-N -1 3 315.337 2.018 20 5 DEBDHM O=[N+]([O-])c1cnc(NC[C@@H]2C[C@H]2C2CCC2)c(-c2nn[n-]n2)c1 ZINC001593484880 1077011693 /nfs/dbraw/zinc/01/16/93/1077011693.db2.gz LRJCQMNEDQQKRL-ONGXEEELSA-N -1 3 315.337 2.018 20 5 DEBDHM Cc1nn(CN2CCC[C@@H]2CC(=O)[O-])c2cc([N+](=O)[O-])ccc12 ZINC001600787279 1077270400 /nfs/dbraw/zinc/27/04/00/1077270400.db2.gz FQRSKNNSDTUNRU-LLVKDONJSA-N -1 3 318.333 2.150 20 5 DEBDHM C[C@@]1(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCCS1 ZINC001609149211 1077773528 /nfs/dbraw/zinc/77/35/28/1077773528.db2.gz DQKXBJLERPFKGK-ZDUSSCGKSA-N -1 3 320.378 2.473 20 5 DEBDHM C[C@@]1(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCCS1 ZINC001609149211 1077773533 /nfs/dbraw/zinc/77/35/33/1077773533.db2.gz DQKXBJLERPFKGK-ZDUSSCGKSA-N -1 3 320.378 2.473 20 5 DEBDHM C[C@H]1CC(Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H](C)C1 ZINC001609153963 1077774724 /nfs/dbraw/zinc/77/47/24/1077774724.db2.gz GPRCKLITQKFLHE-RKDXNWHRSA-N -1 3 317.353 2.407 20 5 DEBDHM C[C@H]1CC(Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H](C)C1 ZINC001609153963 1077774729 /nfs/dbraw/zinc/77/47/29/1077774729.db2.gz GPRCKLITQKFLHE-RKDXNWHRSA-N -1 3 317.353 2.407 20 5 DEBDHM C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001609167262 1077782209 /nfs/dbraw/zinc/78/22/09/1077782209.db2.gz SSIOPRPQQDYPKF-SNVBAGLBSA-N -1 3 302.338 2.401 20 5 DEBDHM C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001609167262 1077782216 /nfs/dbraw/zinc/78/22/16/1077782216.db2.gz SSIOPRPQQDYPKF-SNVBAGLBSA-N -1 3 302.338 2.401 20 5 DEBDHM Cc1nn([C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1[N+](=O)[O-] ZINC001609458191 1077864232 /nfs/dbraw/zinc/86/42/32/1077864232.db2.gz YHEKSQFCHFKMNZ-VIFPVBQESA-N -1 3 313.321 2.198 20 5 DEBDHM Cc1nn([C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1[N+](=O)[O-] ZINC001609458191 1077864235 /nfs/dbraw/zinc/86/42/35/1077864235.db2.gz YHEKSQFCHFKMNZ-VIFPVBQESA-N -1 3 313.321 2.198 20 5 DEBDHM C[C@@H](O)[C@H]1C[C@H](C)CCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001609857486 1077939317 /nfs/dbraw/zinc/93/93/17/1077939317.db2.gz ALHMPMZPLXKMRY-UEKVPHQBSA-N -1 3 322.361 2.274 20 5 DEBDHM CC(C)(C)OC(=O)[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001651386414 1079806743 /nfs/dbraw/zinc/80/67/43/1079806743.db2.gz HIWJJHKIVCABJY-KYZUINATSA-N -1 3 309.322 2.228 20 5 DEBDHM CC(C)(C)CC(=O)NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107035101 1080549660 /nfs/dbraw/zinc/54/96/60/1080549660.db2.gz UUINDNVFOXEFQB-SNAWJCMRSA-N -1 3 322.365 2.216 20 5 DEBDHM CC/C(C)=C\C(=O)N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001097180372 1083709474 /nfs/dbraw/zinc/70/94/74/1083709474.db2.gz KLAAEEWBPUISSA-AEYNQVNKSA-N -1 3 320.349 2.111 20 5 DEBDHM COC(=O)c1cc([N-]C(=O)c2nocc2C)c(C)c([N+](=O)[O-])c1 ZINC001128629944 1086312687 /nfs/dbraw/zinc/31/26/87/1086312687.db2.gz USFOWXKOHVVKQY-UHFFFAOYSA-N -1 3 319.273 2.239 20 5 DEBDHM Cc1c(C(=O)Nc2ccccc2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001301885528 1147302869 /nfs/dbraw/zinc/30/28/69/1147302869.db2.gz XCJTYUBAYRDFHG-UHFFFAOYSA-N -1 3 324.300 2.336 20 5 DEBDHM Cc1c(C(=O)Nc2ccccc2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001301885528 1147302872 /nfs/dbraw/zinc/30/28/72/1147302872.db2.gz XCJTYUBAYRDFHG-UHFFFAOYSA-N -1 3 324.300 2.336 20 5 DEBDHM Cc1ccc(CNC(=O)c2ccc(O)cc2[O-])cc1[N+](=O)[O-] ZINC001302608683 1147313667 /nfs/dbraw/zinc/31/36/67/1147313667.db2.gz LTBBPEKFWFLTLF-UHFFFAOYSA-N -1 3 302.286 2.244 20 5 DEBDHM Cn1c(=O)ccc2ccc(Nc3cc[n-]c(=O)c3[N+](=O)[O-])cc21 ZINC001307105906 1147398292 /nfs/dbraw/zinc/39/82/92/1147398292.db2.gz HVZYJKLNDMBZBE-UHFFFAOYSA-N -1 3 312.285 2.291 20 5 DEBDHM Cc1ncc([N+](=O)[O-])n1CC(=O)[N-]c1cc(C(C)(C)C)no1 ZINC000084646924 355484869 /nfs/dbraw/zinc/48/48/69/355484869.db2.gz MSFFLGMGFJNAGA-UHFFFAOYSA-N -1 3 307.310 2.024 20 5 DEBDHM O=C([N-]c1nncn1-c1ccccc1)c1csc([N+](=O)[O-])c1 ZINC000182597983 356132094 /nfs/dbraw/zinc/13/20/94/356132094.db2.gz RVXJJOAMFCINQV-UHFFFAOYSA-N -1 3 315.314 2.489 20 5 DEBDHM COC(=O)c1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)[n-]1 ZINC000350507790 356532529 /nfs/dbraw/zinc/53/25/29/356532529.db2.gz HQSZVCCYOHSLJZ-UHFFFAOYSA-N -1 3 314.257 2.427 20 5 DEBDHM COC(=O)c1cc([N-]C(=O)c2nccs2)c(C)c([N+](=O)[O-])c1 ZINC000618483756 363505577 /nfs/dbraw/zinc/50/55/77/363505577.db2.gz IDSGNTFMGBKISC-UHFFFAOYSA-N -1 3 321.314 2.399 20 5 DEBDHM COc1ccc(CN2C[C@@H](C)[C@](C)(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000579485219 356983325 /nfs/dbraw/zinc/98/33/25/356983325.db2.gz HGKBYDYUIXAJHR-MEBBXXQBSA-N -1 3 308.334 2.146 20 5 DEBDHM COc1cc(CN2CCC[C@@](C)(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000581889312 357263257 /nfs/dbraw/zinc/26/32/57/357263257.db2.gz PXCXPLIUQJYSBU-OAHLLOKOSA-N -1 3 308.334 2.290 20 5 DEBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN(C[C@@H]2CCOC2)C2CC2)c1 ZINC000593732314 358132407 /nfs/dbraw/zinc/13/24/07/358132407.db2.gz MAFDHCVDYWWERM-NSHDSACASA-N -1 3 320.345 2.294 20 5 DEBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@@H]3COCC[C@H]32)c1 ZINC000593743802 358135290 /nfs/dbraw/zinc/13/52/90/358135290.db2.gz LCBISSQIXSWZCH-TZMCWYRMSA-N -1 3 320.345 2.294 20 5 DEBDHM Cc1sc(S(=O)(=O)[N-]C2(C)CC=CC2)cc1[N+](=O)[O-] ZINC000594475856 358280129 /nfs/dbraw/zinc/28/01/29/358280129.db2.gz XOJSIEQHLDADFR-UHFFFAOYSA-N -1 3 302.377 2.352 20 5 DEBDHM O=C(N[C@H]1CCCN2CCCC[C@H]12)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000594419241 358264301 /nfs/dbraw/zinc/26/43/01/358264301.db2.gz PWVWHLHVPXXQHQ-QWHCGFSZSA-N -1 3 319.361 2.047 20 5 DEBDHM CC(C)OC(=O)C[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596217821 358642626 /nfs/dbraw/zinc/64/26/26/358642626.db2.gz GJBWUWIOVJRMDU-LLVKDONJSA-N -1 3 323.349 2.254 20 5 DEBDHM O=c1[n-]ccc(N2CCO[C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000596071915 358603832 /nfs/dbraw/zinc/60/38/32/358603832.db2.gz WAECEGUCFWUNGV-ZDUSSCGKSA-N -1 3 301.302 2.273 20 5 DEBDHM C[C@@]1(c2ccccc2)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596161727 358626776 /nfs/dbraw/zinc/62/67/76/358626776.db2.gz ZGVGFAWRRBYJOQ-INIZCTEOSA-N -1 3 315.329 2.447 20 5 DEBDHM COc1ccc2c(c1)OC[C@@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])C2 ZINC000596179550 358632154 /nfs/dbraw/zinc/63/21/54/358632154.db2.gz MQGOHGQDVIWSMV-JTQLQIEISA-N -1 3 317.301 2.120 20 5 DEBDHM O=C1[N-]N(c2ccc([N+](=O)[O-])cc2Cl)C(=O)[C@@H]2CCC[C@H]12 ZINC000601938708 360199334 /nfs/dbraw/zinc/19/93/34/360199334.db2.gz IQWVYNQAFHYNLD-DTWKUNHWSA-N -1 3 309.709 2.042 20 5 DEBDHM CCS(=O)(=O)c1ccccc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000603572137 360845700 /nfs/dbraw/zinc/84/57/00/360845700.db2.gz NSJHVKWERHSQKH-UHFFFAOYSA-N -1 3 324.314 2.234 20 5 DEBDHM Cc1ccoc1C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000490299488 248866424 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CCS(=O)(CC)=NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC001439423642 1181083052 /nfs/dbraw/zinc/08/30/52/1181083052.db2.gz IASSMUNIVMETKJ-UHFFFAOYSA-N -1 3 310.335 2.119 20 5 DEBDHM Nc1ncc(C(=O)Nc2cc(Cl)ccc2[O-])cc1[N+](=O)[O-] ZINC001446525568 1184392206 /nfs/dbraw/zinc/39/22/06/1184392206.db2.gz LQEJGPJRUHATNE-UHFFFAOYSA-N -1 3 308.681 2.183 20 5 DEBDHM Cc1cc(S(=O)(=O)[N-]CC2=CCCC2)c(F)cc1[N+](=O)[O-] ZINC001213173029 777513162 /nfs/dbraw/zinc/51/31/62/777513162.db2.gz GHOBEXZCGRTTSO-UHFFFAOYSA-N -1 3 314.338 2.431 20 5 DEBDHM CC(C)CCCC(=O)NCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100340935 792599814 /nfs/dbraw/zinc/59/98/14/792599814.db2.gz UGXVCOZRTVTFMZ-UHFFFAOYSA-N -1 3 324.381 2.074 20 5 DEBDHM CC(C)(C)c1cnc(NCCCc2c[n-][nH]c2=O)c([N+](=O)[O-])c1 ZINC001164370812 799586630 /nfs/dbraw/zinc/58/66/30/799586630.db2.gz NBBSRLAYKWEUQQ-JTQLQIEISA-N -1 3 319.365 2.211 20 5 DEBDHM COC(=O)c1cnc(=O)[n-]c1O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001229872643 801329995 /nfs/dbraw/zinc/32/99/95/801329995.db2.gz LEKDFAYNDMMRDN-QMMMGPOBSA-N -1 3 319.273 2.017 20 5 DEBDHM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1ccc2occ([O-])c2c1 ZINC001233678095 802181570 /nfs/dbraw/zinc/18/15/70/802181570.db2.gz SKANLSZVFIBKHP-VIFPVBQESA-N -1 3 317.301 2.142 20 5 DEBDHM COC(=O)C[C@H]1CCC[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225667952 802999348 /nfs/dbraw/zinc/99/93/48/802999348.db2.gz XDRJOIBMTVUOBB-VHSXEESVSA-N -1 3 310.306 2.196 20 5 DEBDHM CC(=O)c1cnc(=O)[n-]c1O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001226236832 803075421 /nfs/dbraw/zinc/07/54/21/803075421.db2.gz DMDSEGROFSCVIP-VIFPVBQESA-N -1 3 303.274 2.433 20 5 DEBDHM Cc1[n-]c(=O)cc(OC[C@@H]2COc3ccccc3O2)c1[N+](=O)[O-] ZINC001228685994 803394422 /nfs/dbraw/zinc/39/44/22/803394422.db2.gz LAYORDPYHOZWLM-JTQLQIEISA-N -1 3 318.285 2.223 20 5 DEBDHM Cc1[n-]c(=O)cc(OC[C@H]2CC[C@]3(CCCCO3)O2)c1[N+](=O)[O-] ZINC001228688089 803395031 /nfs/dbraw/zinc/39/50/31/803395031.db2.gz DNZXVWGREBXCHU-ABAIWWIYSA-N -1 3 324.333 2.458 20 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O=[N+]([O-])c1cccc(SCc2cncc(-c3nn[n-]n3)c2)c1 ZINC001607085570 1071293345 /nfs/dbraw/zinc/29/33/45/1071293345.db2.gz WPEFUVCAOSESAK-UHFFFAOYSA-N -1 3 314.330 2.462 20 5 DEBDHM CCOc1nc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2OC)co1 ZINC001351379346 1151535041 /nfs/dbraw/zinc/53/50/41/1151535041.db2.gz HUAMDBMPGMKJKB-UHFFFAOYSA-N -1 3 307.262 2.242 20 5 DEBDHM Cc1cc([N+](=O)[O-])c(C(=O)[N-]c2nnn(C(C)C)n2)cc1Cl ZINC001462930552 1058915795 /nfs/dbraw/zinc/91/57/95/1058915795.db2.gz VBCSVZKJZKQDII-UHFFFAOYSA-N -1 3 324.728 2.376 20 5 DEBDHM Cc1cc(=O)[n-]c(N2CC[C@H](Nc3ccsc3[N+](=O)[O-])C2)n1 ZINC001612903619 1078114403 /nfs/dbraw/zinc/11/44/03/1078114403.db2.gz RBALTFPQZXLFHY-VIFPVBQESA-N -1 3 321.362 2.151 20 5 DEBDHM O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)[N-]OC/C=C/Cl ZINC001629185438 1078311147 /nfs/dbraw/zinc/31/11/47/1078311147.db2.gz CJIWQCARBCNOBS-FARCUNLSSA-N -1 3 312.709 2.358 20 5 DEBDHM O=c1[n-]ccc(NCCc2ccccc2[N+](=O)[O-])c1[N+](=O)[O-] ZINC001642649121 1078764243 /nfs/dbraw/zinc/76/42/43/1078764243.db2.gz QPSQCZVFLUMCKV-UHFFFAOYSA-N -1 3 304.262 2.258 20 5 DEBDHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CC2(C)C)c(F)cc1[N+](=O)[O-] ZINC001561243582 1075152182 /nfs/dbraw/zinc/15/21/82/1075152182.db2.gz UXKWTPNVYMRUAU-SECBINFHSA-N -1 3 316.354 2.367 20 5 DEBDHM Nc1c([N+](=O)[O-])ccc(NC[C@@H]2CC=CCC2)c1-c1nnn[n-]1 ZINC001581909782 1076109044 /nfs/dbraw/zinc/10/90/44/1076109044.db2.gz UYOFYSJYBSQPNL-SECBINFHSA-N -1 3 315.337 2.125 20 5 DEBDHM Nc1c([N+](=O)[O-])ccc(NC[C@@H]2CC=CCC2)c1-c1nn[n-]n1 ZINC001581909782 1076109049 /nfs/dbraw/zinc/10/90/49/1076109049.db2.gz UYOFYSJYBSQPNL-SECBINFHSA-N -1 3 315.337 2.125 20 5 DEBDHM CC(C)(O)CCSc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589338810 1076486810 /nfs/dbraw/zinc/48/68/10/1076486810.db2.gz FMRUTEPHBBPBDY-UHFFFAOYSA-N -1 3 309.351 2.028 20 5 DEBDHM CC(C)(O)CCSc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589338810 1076486812 /nfs/dbraw/zinc/48/68/12/1076486812.db2.gz FMRUTEPHBBPBDY-UHFFFAOYSA-N -1 3 309.351 2.028 20 5 DEBDHM CC(C)CN(c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)C1CC1 ZINC001589628754 1076502858 /nfs/dbraw/zinc/50/28/58/1076502858.db2.gz KWNUBGPHICUCJU-UHFFFAOYSA-N -1 3 302.338 2.400 20 5 DEBDHM C[C@@H]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590253163 1076600769 /nfs/dbraw/zinc/60/07/69/1076600769.db2.gz QYZYKVHYZPSUOG-ZJUUUORDSA-N -1 3 317.353 2.408 20 5 DEBDHM C[C@@H]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590253163 1076600773 /nfs/dbraw/zinc/60/07/73/1076600773.db2.gz QYZYKVHYZPSUOG-ZJUUUORDSA-N -1 3 317.353 2.408 20 5 DEBDHM C[C@@H]1CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCC1(F)F ZINC001590311775 1076609588 /nfs/dbraw/zinc/60/95/88/1076609588.db2.gz GNMXWAHMLAWNCX-MRVPVSSYSA-N -1 3 324.291 2.256 20 5 DEBDHM C[C@@H]1CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCC1(F)F ZINC001590311775 1076609591 /nfs/dbraw/zinc/60/95/91/1076609591.db2.gz GNMXWAHMLAWNCX-MRVPVSSYSA-N -1 3 324.291 2.256 20 5 DEBDHM CN(C(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC001590993681 1076702103 /nfs/dbraw/zinc/70/21/03/1076702103.db2.gz OCPUVOPSEGHTKD-UHFFFAOYSA-N -1 3 324.300 2.052 20 5 DEBDHM CN(C(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC001590993681 1076702106 /nfs/dbraw/zinc/70/21/06/1076702106.db2.gz OCPUVOPSEGHTKD-UHFFFAOYSA-N -1 3 324.300 2.052 20 5 DEBDHM COCC1(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCC1 ZINC001591388922 1076738532 /nfs/dbraw/zinc/73/85/32/1076738532.db2.gz JHCUIQIRNAKULS-UHFFFAOYSA-N -1 3 318.337 2.004 20 5 DEBDHM COCC1(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCC1 ZINC001591388922 1076738536 /nfs/dbraw/zinc/73/85/36/1076738536.db2.gz JHCUIQIRNAKULS-UHFFFAOYSA-N -1 3 318.337 2.004 20 5 DEBDHM Cc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)cccc1-c1nnn[n-]1 ZINC001591812146 1076787250 /nfs/dbraw/zinc/78/72/50/1076787250.db2.gz FDCPEZWHCKLNHZ-UHFFFAOYSA-N -1 3 324.300 2.336 20 5 DEBDHM Cc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)cccc1-c1nn[n-]n1 ZINC001591812146 1076787253 /nfs/dbraw/zinc/78/72/53/1076787253.db2.gz FDCPEZWHCKLNHZ-UHFFFAOYSA-N -1 3 324.300 2.336 20 5 DEBDHM Cc1cc(NC[C@H]2CC[C@@H](C)O2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592045112 1076838010 /nfs/dbraw/zinc/83/80/10/1076838010.db2.gz XDARQOBRYVFXIY-NXEZZACHSA-N -1 3 318.337 2.063 20 5 DEBDHM Cc1cc(NC[C@H]2CC[C@@H](C)O2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592045112 1076838015 /nfs/dbraw/zinc/83/80/15/1076838015.db2.gz XDARQOBRYVFXIY-NXEZZACHSA-N -1 3 318.337 2.063 20 5 DEBDHM Cc1cc(NCC(F)(F)F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592042084 1076838068 /nfs/dbraw/zinc/83/80/68/1076838068.db2.gz WYKYYJAICCPXOO-UHFFFAOYSA-N -1 3 302.216 2.058 20 5 DEBDHM Cc1cc(NCC(F)(F)F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592042084 1076838072 /nfs/dbraw/zinc/83/80/72/1076838072.db2.gz WYKYYJAICCPXOO-UHFFFAOYSA-N -1 3 302.216 2.058 20 5 DEBDHM Cc1cc(NCCc2ccoc2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592050718 1076838464 /nfs/dbraw/zinc/83/84/64/1076838464.db2.gz CJBLIWUKZPUYSP-UHFFFAOYSA-N -1 3 314.305 2.331 20 5 DEBDHM Cc1cc(NCCc2ccoc2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592050718 1076838468 /nfs/dbraw/zinc/83/84/68/1076838468.db2.gz CJBLIWUKZPUYSP-UHFFFAOYSA-N -1 3 314.305 2.331 20 5 DEBDHM Cc1cc(Sc2ncc([N+](=O)[O-])cn2)ccc1-c1nnn[n-]1 ZINC001592068201 1076842519 /nfs/dbraw/zinc/84/25/19/1076842519.db2.gz VWJVYJUWKBDKAC-UHFFFAOYSA-N -1 3 315.318 2.025 20 5 DEBDHM Cc1cc(Sc2ncc([N+](=O)[O-])cn2)ccc1-c1nn[n-]n1 ZINC001592068201 1076842527 /nfs/dbraw/zinc/84/25/27/1076842527.db2.gz VWJVYJUWKBDKAC-UHFFFAOYSA-N -1 3 315.318 2.025 20 5 DEBDHM Cc1ccc(F)cc1Oc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592173432 1076867752 /nfs/dbraw/zinc/86/77/52/1076867752.db2.gz QSAALJQWKXBTPI-UHFFFAOYSA-N -1 3 316.252 2.410 20 5 DEBDHM Cc1ccc(F)cc1Oc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592173432 1076867754 /nfs/dbraw/zinc/86/77/54/1076867754.db2.gz QSAALJQWKXBTPI-UHFFFAOYSA-N -1 3 316.252 2.410 20 5 DEBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001592197786 1076873660 /nfs/dbraw/zinc/87/36/60/1076873660.db2.gz QYKWPJNOLNWLJC-UHFFFAOYSA-N -1 3 324.300 2.336 20 5 DEBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001592197786 1076873663 /nfs/dbraw/zinc/87/36/63/1076873663.db2.gz QYKWPJNOLNWLJC-UHFFFAOYSA-N -1 3 324.300 2.336 20 5 DEBDHM Cc1csc(Sc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC001592324104 1076897262 /nfs/dbraw/zinc/89/72/62/1076897262.db2.gz QJCFPVSRBCVHDT-UHFFFAOYSA-N -1 3 321.347 2.086 20 5 DEBDHM Cc1csc(Sc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC001592324104 1076897265 /nfs/dbraw/zinc/89/72/65/1076897265.db2.gz QJCFPVSRBCVHDT-UHFFFAOYSA-N -1 3 321.347 2.086 20 5 DEBDHM Cc1nc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cs1 ZINC001592361746 1076903858 /nfs/dbraw/zinc/90/38/58/1076903858.db2.gz ZPPXLUVUSHNNAR-UHFFFAOYSA-N -1 3 317.334 2.152 20 5 DEBDHM Cc1nc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cs1 ZINC001592361746 1076903860 /nfs/dbraw/zinc/90/38/60/1076903860.db2.gz ZPPXLUVUSHNNAR-UHFFFAOYSA-N -1 3 317.334 2.152 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NCCC(F)(F)F ZINC001593468488 1077005113 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O=[N+]([O-])c1ccc(C=Cc2cccc(F)c2-c2nnn[n-]2)nc1 ZINC001593475070 1077008180 /nfs/dbraw/zinc/00/81/80/1077008180.db2.gz GSZAIVLXQFUFPR-SNAWJCMRSA-N -1 3 312.264 2.479 20 5 DEBDHM O=[N+]([O-])c1ccc(C=Cc2cccc(F)c2-c2nn[n-]n2)nc1 ZINC001593475070 1077008183 /nfs/dbraw/zinc/00/81/83/1077008183.db2.gz GSZAIVLXQFUFPR-SNAWJCMRSA-N -1 3 312.264 2.479 20 5 DEBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCCC2(F)F)c(-c2nnn[n-]2)c1 ZINC001593477846 1077008953 /nfs/dbraw/zinc/00/89/53/1077008953.db2.gz GYQAZPPXPNBRFT-SNVBAGLBSA-N -1 3 310.264 2.375 20 5 DEBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCCC2(F)F)c(-c2nn[n-]n2)c1 ZINC001593477846 1077008957 /nfs/dbraw/zinc/00/89/57/1077008957.db2.gz GYQAZPPXPNBRFT-SNVBAGLBSA-N -1 3 310.264 2.375 20 5 DEBDHM O=[N+]([O-])c1ccc(NC(C2CC2)C2CC2)c(-c2nnn[n-]2)c1 ZINC001593478749 1077009420 /nfs/dbraw/zinc/00/94/20/1077009420.db2.gz LDRMPYDRDYYHDO-UHFFFAOYSA-N -1 3 300.322 2.375 20 5 DEBDHM O=[N+]([O-])c1ccc(NC(C2CC2)C2CC2)c(-c2nn[n-]n2)c1 ZINC001593478749 1077009423 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DEBDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000440379635 279104554 /nfs/dbraw/zinc/10/45/54/279104554.db2.gz ZNRBHMCRYJJQFT-UHFFFAOYSA-N -1 3 324.680 2.010 20 5 DEBDHM CC(C)(CO)ON=C([O-])Nc1cccc([N+](=O)[O-])c1Cl ZINC000296763973 527208659 /nfs/dbraw/zinc/20/86/59/527208659.db2.gz ORKSMAORWSXOJT-UHFFFAOYSA-N -1 3 303.702 2.072 20 5 DEBDHM CC(C)(CO)O[N-]C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000296763973 527208664 /nfs/dbraw/zinc/20/86/64/527208664.db2.gz ORKSMAORWSXOJT-UHFFFAOYSA-N -1 3 303.702 2.072 20 5 DEBDHM CC[C@@H](C)C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820870121 599067633 /nfs/dbraw/zinc/06/76/33/599067633.db2.gz NBQBGKJCLSOBIO-RKDXNWHRSA-N -1 3 305.342 2.407 20 5 DEBDHM CC[C@@H](C)C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820870121 599067636 /nfs/dbraw/zinc/06/76/36/599067636.db2.gz NBQBGKJCLSOBIO-RKDXNWHRSA-N -1 3 305.342 2.407 20 5 DEBDHM O=[N+]([O-])c1cc(F)cc(OCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823634482 607327824 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Cc1nn(CN(CCC(=O)[O-])C(C)C)c2ccc([N+](=O)[O-])cc12 ZINC000833016838 602193308 /nfs/dbraw/zinc/19/33/08/602193308.db2.gz KBJAKZVXOXFKNL-UHFFFAOYSA-N -1 3 320.349 2.396 20 5 DEBDHM Cc1nn(CN2CCC[C@H]2CC(=O)[O-])c2ccc([N+](=O)[O-])cc12 ZINC000833017184 604976089 /nfs/dbraw/zinc/97/60/89/604976089.db2.gz YZWVGJZIRZAMDG-NSHDSACASA-N -1 3 318.333 2.150 20 5 DEBDHM O=[N+]([O-])c1cc(NCCc2ccccc2)ccc1-c1nnn[n-]1 ZINC000823634711 606644471 /nfs/dbraw/zinc/64/44/71/606644471.db2.gz KLAIGQSBCGUBCD-UHFFFAOYSA-N -1 3 310.317 2.430 20 5 DEBDHM Cc1ccc([N+](=O)[O-])c(NCc2cccc(-c3nnn[n-]3)c2)n1 ZINC000822271173 607025033 /nfs/dbraw/zinc/02/50/33/607025033.db2.gz PGEVUMKFTRHCBW-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1ccc([N+](=O)[O-])c(NCc2cccc(-c3nn[n-]n3)c2)n1 ZINC000822271173 607025035 /nfs/dbraw/zinc/02/50/35/607025035.db2.gz PGEVUMKFTRHCBW-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H]1C ZINC000824962744 608303025 /nfs/dbraw/zinc/30/30/25/608303025.db2.gz XKOPOZVKOKLVSH-VHSXEESVSA-N -1 3 302.338 2.257 20 5 DEBDHM C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H]1C ZINC000824962744 608303027 /nfs/dbraw/zinc/30/30/27/608303027.db2.gz XKOPOZVKOKLVSH-VHSXEESVSA-N -1 3 302.338 2.257 20 5 DEBDHM O=[N+]([O-])c1ccc(C=Cc2ccc(-c3nnn[n-]3)cn2)c(F)c1 ZINC000826498438 609310216 /nfs/dbraw/zinc/31/02/16/609310216.db2.gz UXSPZFVFGOOCSH-RJRFIUFISA-N -1 3 312.264 2.479 20 5 DEBDHM O=[N+]([O-])c1ccc(C=Cc2ccc(-c3nn[n-]n3)cn2)c(F)c1 ZINC000826498438 609310217 /nfs/dbraw/zinc/31/02/17/609310217.db2.gz UXSPZFVFGOOCSH-RJRFIUFISA-N -1 3 312.264 2.479 20 5 DEBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC(C)(C)C1 ZINC000824999160 609592229 /nfs/dbraw/zinc/59/22/29/609592229.db2.gz CZTDSJXNTGGPDJ-VIFPVBQESA-N -1 3 317.353 2.042 20 5 DEBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC(C)(C)C1 ZINC000824999160 609592230 /nfs/dbraw/zinc/59/22/30/609592230.db2.gz CZTDSJXNTGGPDJ-VIFPVBQESA-N -1 3 317.353 2.042 20 5 DEBDHM Cc1nc2c(c(=O)[n-]1)CN([C@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC000931318997 625759468 /nfs/dbraw/zinc/75/94/68/625759468.db2.gz REIXEPHGVHEYCR-SECBINFHSA-N -1 3 300.318 2.476 20 5 DEBDHM O=c1[n-]cnc2c1CN(c1cc(Cl)ccc1[N+](=O)[O-])CC2 ZINC000786817612 643413320 /nfs/dbraw/zinc/41/33/20/643413320.db2.gz DPQHRZNIKGHCRR-UHFFFAOYSA-N -1 3 306.709 2.307 20 5 DEBDHM Cc1cc(C)cc([C@H](O)CNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC000853579850 652572098 /nfs/dbraw/zinc/57/20/98/652572098.db2.gz NHYPUWGAIXAHJS-CYBMUJFWSA-N -1 3 303.318 2.458 20 5 DEBDHM Cn1cc(CO[N-]C(=O)CCC2CCCCC2)c([N+](=O)[O-])n1 ZINC000882967383 691399606 /nfs/dbraw/zinc/39/96/06/691399606.db2.gz FKJZOJJFRPUYIX-UHFFFAOYSA-N -1 3 310.354 2.237 20 5 DEBDHM CN(CCc1ccc2c(c1)OCO2)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000884839022 691805328 /nfs/dbraw/zinc/80/53/28/691805328.db2.gz VGFYCQGVIWJHSW-UHFFFAOYSA-N -1 3 317.301 2.103 20 5 DEBDHM CCOc1cc([N-]C(=O)c2cc(OC)no2)ccc1[N+](=O)[O-] ZINC001437548276 1179843405 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DEBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)/C=C\C(C)(C)C ZINC001101543973 793221977 /nfs/dbraw/zinc/22/19/77/793221977.db2.gz IGLMMBSJXDECKF-ALCCZGGFSA-N -1 3 322.365 2.168 20 5 DEBDHM NC(=O)c1ccnc(Cl)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199814338 798544011 /nfs/dbraw/zinc/54/40/11/798544011.db2.gz HBTQOBQHLOYLKL-UHFFFAOYSA-N -1 3 308.681 2.191 20 5 DEBDHM Cc1cc2[n-]c(O[C@@H]3CNCC(F)(F)C3)nc2cc1[N+](=O)[O-] ZINC001218276983 802162530 /nfs/dbraw/zinc/16/25/30/802162530.db2.gz YRTVPPVKSSJSJD-QMMMGPOBSA-N -1 3 312.276 2.156 20 5 DEBDHM CCOC(=O)[C@@H](CC(C)C)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228684883 803394475 /nfs/dbraw/zinc/39/44/75/803394475.db2.gz ACVXMHACDOUUPU-LLVKDONJSA-N -1 3 312.322 2.360 20 5 DEBDHM CN1CCC[C@H](Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])C1 ZINC001228859095 803422169 /nfs/dbraw/zinc/42/21/69/803422169.db2.gz IMZXAMVDGPDWEA-ZETCQYMHSA-N -1 3 321.255 2.187 20 5 DEBDHM CCO[C@H]1C[C@](NCc2ccccc2[N+](=O)[O-])(C(=O)[O-])C1(C)C ZINC001596837572 985496328 /nfs/dbraw/zinc/49/63/28/985496328.db2.gz MBVCOMMOBNDWGV-BBRMVZONSA-N -1 3 322.361 2.343 20 5 DEBDHM CO[C@@H]1C[C@H](NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C12CCC2 ZINC001599095784 997278193 /nfs/dbraw/zinc/27/81/93/997278193.db2.gz GWQHDKAAYVNWKZ-UONOGXRCSA-N -1 3 320.345 2.340 20 5 DEBDHM CO[C@@H]1C[C@@H](NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C12CCC2 ZINC001599095788 997278562 /nfs/dbraw/zinc/27/85/62/997278562.db2.gz GWQHDKAAYVNWKZ-ZIAGYGMSSA-N -1 3 320.345 2.340 20 5 DEBDHM CO[C@H]1CCCC[C@@H]1NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599325856 997662837 /nfs/dbraw/zinc/66/28/37/997662837.db2.gz SQCXOAWLUPGDMR-JSGCOSHPSA-N -1 3 308.334 2.340 20 5 DEBDHM CC(C)(C)C1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001603067844 1069854221 /nfs/dbraw/zinc/85/42/21/1069854221.db2.gz RVTAEOVCFQKJNX-UHFFFAOYSA-N -1 3 302.338 2.257 20 5 DEBDHM O=c1[n-]ccc(N2CCC=C(Br)C2)c1[N+](=O)[O-] ZINC001328552998 1148808918 /nfs/dbraw/zinc/80/89/18/1148808918.db2.gz KHVWGRNVYWINMQ-UHFFFAOYSA-N -1 3 300.112 2.184 20 5 DEBDHM CC(C)(CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CCC1 ZINC001603151311 1069893186 /nfs/dbraw/zinc/89/31/86/1069893186.db2.gz KEMBQLKTSQVMSZ-UHFFFAOYSA-N -1 3 317.353 2.408 20 5 DEBDHM CC(C)(CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CCC1 ZINC001603151311 1069893193 /nfs/dbraw/zinc/89/31/93/1069893193.db2.gz KEMBQLKTSQVMSZ-UHFFFAOYSA-N -1 3 317.353 2.408 20 5 DEBDHM CC(C)OCCCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603354735 1069955097 /nfs/dbraw/zinc/95/50/97/1069955097.db2.gz YFHGSMURIGXPEE-UHFFFAOYSA-N -1 3 306.326 2.002 20 5 DEBDHM CC(C)OCCCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001603354735 1069955105 /nfs/dbraw/zinc/95/51/05/1069955105.db2.gz YFHGSMURIGXPEE-UHFFFAOYSA-N -1 3 306.326 2.002 20 5 DEBDHM CC(C)[C@H]1CN(C)CCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001603759343 1070079172 /nfs/dbraw/zinc/07/91/72/1070079172.db2.gz IGJUDWPEJJCSSE-OAHLLOKOSA-N -1 3 321.377 2.065 20 5 DEBDHM C[C@@H]1C[C@H](CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCO1 ZINC001603851343 1070121682 /nfs/dbraw/zinc/12/16/82/1070121682.db2.gz YFBGAASZXNEZDS-NXEZZACHSA-N -1 3 318.337 2.002 20 5 DEBDHM C[C@@H]1C[C@H](CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCO1 ZINC001603851343 1070121686 /nfs/dbraw/zinc/12/16/86/1070121686.db2.gz YFBGAASZXNEZDS-NXEZZACHSA-N -1 3 318.337 2.002 20 5 DEBDHM C[C@@H]1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC001603879609 1070133545 /nfs/dbraw/zinc/13/35/45/1070133545.db2.gz BXPZPELCKOCCAN-YWVKMMECSA-N -1 3 317.353 2.407 20 5 DEBDHM C[C@@H]1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC001603879609 1070133548 /nfs/dbraw/zinc/13/35/48/1070133548.db2.gz BXPZPELCKOCCAN-YWVKMMECSA-N -1 3 317.353 2.407 20 5 DEBDHM C[C@@H]1[C@H](C)SCCN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603954496 1070158176 /nfs/dbraw/zinc/15/81/76/1070158176.db2.gz DBEGAAXKJLXVMO-BDAKNGLRSA-N -1 3 320.378 2.105 20 5 DEBDHM CCOCCSCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604433235 1070386682 /nfs/dbraw/zinc/38/66/82/1070386682.db2.gz LRGIOPGCRNTKQN-UHFFFAOYSA-N -1 3 309.351 2.045 20 5 DEBDHM CCOCCSCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001604433235 1070386699 /nfs/dbraw/zinc/38/66/99/1070386699.db2.gz LRGIOPGCRNTKQN-UHFFFAOYSA-N -1 3 309.351 2.045 20 5 DEBDHM CN(C[Si](C)(C)C)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604795854 1070496597 /nfs/dbraw/zinc/49/65/97/1070496597.db2.gz ZPMOLGUMPCIOCY-UHFFFAOYSA-N -1 3 306.402 2.089 20 5 DEBDHM CN(C[Si](C)(C)C)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001604795854 1070496607 /nfs/dbraw/zinc/49/66/07/1070496607.db2.gz ZPMOLGUMPCIOCY-UHFFFAOYSA-N -1 3 306.402 2.089 20 5 DEBDHM Cc1cccc(OCc2cc(-c3nnn[n-]3)ccn2)c1[N+](=O)[O-] ZINC001605923377 1070978168 /nfs/dbraw/zinc/97/81/68/1070978168.db2.gz FGKVJBUJXOKUNO-UHFFFAOYSA-N -1 3 312.289 2.057 20 5 DEBDHM Cc1cccc(OCc2cc(-c3nn[n-]n3)ccn2)c1[N+](=O)[O-] ZINC001605923377 1070978177 /nfs/dbraw/zinc/97/81/77/1070978177.db2.gz FGKVJBUJXOKUNO-UHFFFAOYSA-N -1 3 312.289 2.057 20 5 DEBDHM O=[N+]([O-])c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1F ZINC001607082911 1071290632 /nfs/dbraw/zinc/29/06/32/1071290632.db2.gz WWJRYQAVKKFSIA-UHFFFAOYSA-N -1 3 315.264 2.493 20 5 DEBDHM O=[N+]([O-])c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1F ZINC001607082911 1071290642 /nfs/dbraw/zinc/29/06/42/1071290642.db2.gz WWJRYQAVKKFSIA-UHFFFAOYSA-N -1 3 315.264 2.493 20 5 DEBDHM O=[N+]([O-])c1cnc(NC[C@@H]2CCC[C@H]3C[C@H]32)c(-c2nnn[n-]2)c1 ZINC001607087060 1071293550 /nfs/dbraw/zinc/29/35/50/1071293550.db2.gz ZNUSBUUNTVFBTB-ATZCPNFKSA-N -1 3 315.337 2.018 20 5 DEBDHM O=[N+]([O-])c1cnc(NC[C@@H]2CCC[C@H]3C[C@H]32)c(-c2nn[n-]n2)c1 ZINC001607087060 1071293556 /nfs/dbraw/zinc/29/35/56/1071293556.db2.gz ZNUSBUUNTVFBTB-ATZCPNFKSA-N -1 3 315.337 2.018 20 5 DEBDHM CC(C)[C@]1(C)C[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001463907165 1059043309 /nfs/dbraw/zinc/04/33/09/1059043309.db2.gz XGARMSWOJWGFSN-OLZOCXBDSA-N -1 3 316.354 2.447 20 5 DEBDHM CCOc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(F)c1 ZINC001469138122 1059906395 /nfs/dbraw/zinc/90/63/95/1059906395.db2.gz YYNBVVJVDRHKOA-UHFFFAOYSA-N -1 3 321.264 2.486 20 5 DEBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCCCC[C@H]2CCO)c1 ZINC001610841395 1078084359 /nfs/dbraw/zinc/08/43/59/1078084359.db2.gz BMTPBSRPZAWGCR-AWEZNQCLSA-N -1 3 322.361 2.420 20 5 DEBDHM CC(C)n1nnc([N-]C(=O)c2cccc(Cl)c2[N+](=O)[O-])n1 ZINC001626465189 1078256175 /nfs/dbraw/zinc/25/61/75/1078256175.db2.gz NZJXQZCASSLNSO-UHFFFAOYSA-N -1 3 310.701 2.068 20 5 DEBDHM CCc1cc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)no1 ZINC001628106276 1078290231 /nfs/dbraw/zinc/29/02/31/1078290231.db2.gz GXYYBOLMFHVVOI-UHFFFAOYSA-N -1 3 319.273 2.169 20 5 DEBDHM O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)[N-]OC/C=C\Cl ZINC001629185439 1078311214 /nfs/dbraw/zinc/31/12/14/1078311214.db2.gz CJIWQCARBCNOBS-UQCOIBPSSA-N -1 3 312.709 2.358 20 5 DEBDHM CSc1cc(O)ccc1[N-]C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC001635921551 1078462221 /nfs/dbraw/zinc/46/22/21/1078462221.db2.gz WAWWAYOFJSJBBC-UHFFFAOYSA-N -1 3 320.330 2.252 20 5 DEBDHM COC(=O)c1cc(C(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)on1 ZINC001638230156 1078554686 /nfs/dbraw/zinc/55/46/86/1078554686.db2.gz CAHGJAIVAJUUPH-UHFFFAOYSA-N -1 3 319.273 2.239 20 5 DEBDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001545221186 1072564391 /nfs/dbraw/zinc/56/43/91/1072564391.db2.gz LOJIKVMLYFYSQN-UHFFFAOYSA-N -1 3 324.680 2.010 20 5 DEBDHM C[Si](C)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001559169224 1075113932 /nfs/dbraw/zinc/11/39/32/1075113932.db2.gz KKVYNZMJZONCEG-UHFFFAOYSA-N -1 3 303.394 2.262 20 5 DEBDHM CN(CCc1cccc([N+](=O)[O-])c1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001559174319 1075114254 /nfs/dbraw/zinc/11/42/54/1075114254.db2.gz VXWZKWUAGRZSCZ-UHFFFAOYSA-N -1 3 318.289 2.283 20 5 DEBDHM Cc1nc(NCc2cc(=O)[n-]c(C3CCC3)n2)ncc1[N+](=O)[O-] ZINC001559248900 1075116265 /nfs/dbraw/zinc/11/62/65/1075116265.db2.gz OZIPAZUVZWISQC-UHFFFAOYSA-N -1 3 316.321 2.068 20 5 DEBDHM Cc1ccc(CNc2ccc(-c3nnn[n-]3)cn2)cc1[N+](=O)[O-] ZINC001581200249 1076050383 /nfs/dbraw/zinc/05/03/83/1076050383.db2.gz CWUYUMDPEZORIS-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1ccc(CNc2ccc(-c3nn[n-]n3)cn2)cc1[N+](=O)[O-] ZINC001581200249 1076050387 /nfs/dbraw/zinc/05/03/87/1076050387.db2.gz CWUYUMDPEZORIS-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM COC(=O)c1cc([N-]C(=O)c2cc([N+](=O)[O-])cc(C)c2F)on1 ZINC001583404937 1076258660 /nfs/dbraw/zinc/25/86/60/1076258660.db2.gz MKJQNQOZYKDAIR-UHFFFAOYSA-N -1 3 323.236 2.069 20 5 DEBDHM CC(C)[C@H]1CCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001589509307 1076494873 /nfs/dbraw/zinc/49/48/73/1076494873.db2.gz OPJRBBMGDNIVCV-VIFPVBQESA-N -1 3 320.328 2.396 20 5 DEBDHM CC(C)[C@H]1CCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001589509307 1076494875 /nfs/dbraw/zinc/49/48/75/1076494875.db2.gz OPJRBBMGDNIVCV-VIFPVBQESA-N -1 3 320.328 2.396 20 5 DEBDHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(C)(C)C ZINC001589880931 1076523182 /nfs/dbraw/zinc/52/31/82/1076523182.db2.gz MPBVNPMWOGDSJC-MRVPVSSYSA-N -1 3 305.342 2.264 20 5 DEBDHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(C)(C)C ZINC001589880931 1076523189 /nfs/dbraw/zinc/52/31/89/1076523189.db2.gz MPBVNPMWOGDSJC-MRVPVSSYSA-N -1 3 305.342 2.264 20 5 DEBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC001589981848 1076542181 /nfs/dbraw/zinc/54/21/81/1076542181.db2.gz KHNNIGYOQOSWJK-ZJUUUORDSA-N -1 3 318.337 2.002 20 5 DEBDHM CC1(C(=O)OCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCC1 ZINC001590072566 1076556253 /nfs/dbraw/zinc/55/62/53/1076556253.db2.gz GMLICAOATFFGPJ-UHFFFAOYSA-N -1 3 317.305 2.008 20 5 DEBDHM CC1(C(=O)OCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCC1 ZINC001590072566 1076556255 /nfs/dbraw/zinc/55/62/55/1076556255.db2.gz GMLICAOATFFGPJ-UHFFFAOYSA-N -1 3 317.305 2.008 20 5 DEBDHM CC1(C)C[C@@]1(C)CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590087468 1076559490 /nfs/dbraw/zinc/55/94/90/1076559490.db2.gz SGLHAIJDVCUYKR-ZDUSSCGKSA-N -1 3 303.326 2.018 20 5 DEBDHM CC1(C)C[C@@]1(C)CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590087468 1076559492 /nfs/dbraw/zinc/55/94/92/1076559492.db2.gz SGLHAIJDVCUYKR-ZDUSSCGKSA-N -1 3 303.326 2.018 20 5 DEBDHM CC1(C)OCC[C@@H]1CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590120320 1076566916 /nfs/dbraw/zinc/56/69/16/1076566916.db2.gz XSPYLJGOIWDNJK-SNVBAGLBSA-N -1 3 318.337 2.002 20 5 DEBDHM CC1(C)OCC[C@@H]1CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590120320 1076566920 /nfs/dbraw/zinc/56/69/20/1076566920.db2.gz XSPYLJGOIWDNJK-SNVBAGLBSA-N -1 3 318.337 2.002 20 5 DEBDHM C[C@]1(F)CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001590141652 1076572756 /nfs/dbraw/zinc/57/27/56/1076572756.db2.gz LZAXXDBQLLTEQI-ZDUSSCGKSA-N -1 3 306.301 2.103 20 5 DEBDHM C[C@]1(F)CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001590141652 1076572759 /nfs/dbraw/zinc/57/27/59/1076572759.db2.gz LZAXXDBQLLTEQI-ZDUSSCGKSA-N -1 3 306.301 2.103 20 5 DEBDHM C[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])c2ccccc21 ZINC001590314205 1076610450 /nfs/dbraw/zinc/61/04/50/1076610450.db2.gz ADGUBCCGZDKWRZ-SECBINFHSA-N -1 3 323.316 2.425 20 5 DEBDHM C[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])c2ccccc21 ZINC001590314205 1076610451 /nfs/dbraw/zinc/61/04/51/1076610451.db2.gz ADGUBCCGZDKWRZ-SECBINFHSA-N -1 3 323.316 2.425 20 5 DEBDHM CC[C@H](C)[C@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])OC ZINC001590401144 1076620440 /nfs/dbraw/zinc/62/04/40/1076620440.db2.gz UQJDYOHDDUUJLI-CABZTGNLSA-N -1 3 320.353 2.248 20 5 DEBDHM CC[C@H](C)[C@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])OC ZINC001590401144 1076620441 /nfs/dbraw/zinc/62/04/41/1076620441.db2.gz UQJDYOHDDUUJLI-CABZTGNLSA-N -1 3 320.353 2.248 20 5 DEBDHM CC[C@H](C)[C@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])OC ZINC001590401528 1076620596 /nfs/dbraw/zinc/62/05/96/1076620596.db2.gz VWHXQYZORNEUKQ-ZANVPECISA-N -1 3 320.353 2.248 20 5 DEBDHM CC[C@H](C)[C@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])OC ZINC001590401528 1076620597 /nfs/dbraw/zinc/62/05/97/1076620597.db2.gz VWHXQYZORNEUKQ-ZANVPECISA-N -1 3 320.353 2.248 20 5 DEBDHM CCC(O)(CC)CCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590473622 1076636358 /nfs/dbraw/zinc/63/63/58/1076636358.db2.gz OQLXEZZTCPHXDQ-UHFFFAOYSA-N -1 3 320.353 2.128 20 5 DEBDHM CO[C@H]1CCC[C@@H]1CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591361190 1076733631 /nfs/dbraw/zinc/73/36/31/1076733631.db2.gz LEGSEQYIEDLGAJ-MFKMUULPSA-N -1 3 318.337 2.002 20 5 DEBDHM CO[C@H]1CCC[C@@H]1CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591361190 1076733632 /nfs/dbraw/zinc/73/36/32/1076733632.db2.gz LEGSEQYIEDLGAJ-MFKMUULPSA-N -1 3 318.337 2.002 20 5 DEBDHM Cc1cc(N2C[C@@H]3CCCC[C@@H]32)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592010520 1076830359 /nfs/dbraw/zinc/83/03/59/1076830359.db2.gz NDWNEUDXLJNFBZ-JQWIXIFHSA-N -1 3 314.349 2.462 20 5 DEBDHM Cc1cc(N2C[C@@H]3CCCC[C@@H]32)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592010520 1076830364 /nfs/dbraw/zinc/83/03/64/1076830364.db2.gz NDWNEUDXLJNFBZ-JQWIXIFHSA-N -1 3 314.349 2.462 20 5 DEBDHM Cc1cc(NCCOC2CCC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592050338 1076838359 /nfs/dbraw/zinc/83/83/59/1076838359.db2.gz MLQBPCXNBKYNJG-UHFFFAOYSA-N -1 3 318.337 2.064 20 5 DEBDHM Cc1cc(NCCOC2CCC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592050338 1076838364 /nfs/dbraw/zinc/83/83/64/1076838364.db2.gz MLQBPCXNBKYNJG-UHFFFAOYSA-N -1 3 318.337 2.064 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CCC[C@H](F)C1 ZINC001593471868 1077006620 /nfs/dbraw/zinc/00/66/20/1077006620.db2.gz VOUSIMPQVDOMNQ-VHSXEESVSA-N -1 3 306.301 2.468 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCC[C@H](F)C1 ZINC001593471868 1077006625 /nfs/dbraw/zinc/00/66/25/1077006625.db2.gz VOUSIMPQVDOMNQ-VHSXEESVSA-N -1 3 306.301 2.468 20 5 DEBDHM O=[N+]([O-])c1ccc(NCCC[C@@H]2CCOC2)c(-c2nnn[n-]2)c1 ZINC001593477713 1077008228 /nfs/dbraw/zinc/00/82/28/1077008228.db2.gz APIITWWIKXCECH-SNVBAGLBSA-N -1 3 318.337 2.004 20 5 DEBDHM O=[N+]([O-])c1ccc(NCCC[C@@H]2CCOC2)c(-c2nn[n-]n2)c1 ZINC001593477713 1077008232 /nfs/dbraw/zinc/00/82/32/1077008232.db2.gz APIITWWIKXCECH-SNVBAGLBSA-N -1 3 318.337 2.004 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCC(C2CC2)CC1 ZINC001593474114 1077008307 /nfs/dbraw/zinc/00/83/07/1077008307.db2.gz FNQSODGMRRGQSZ-UHFFFAOYSA-N -1 3 314.349 2.401 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCC(C2CC2)CC1 ZINC001593474114 1077008314 /nfs/dbraw/zinc/00/83/14/1077008314.db2.gz FNQSODGMRRGQSZ-UHFFFAOYSA-N -1 3 314.349 2.401 20 5 DEBDHM CCCc1nnc([N-]C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)s1 ZINC001597176128 1077089976 /nfs/dbraw/zinc/08/99/76/1077089976.db2.gz MDBDHHOKALETOG-UHFFFAOYSA-N -1 3 316.730 2.028 20 5 DEBDHM Cc1nn(CN2CC[C@H](C(=O)[O-])[C@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC001600788298 1077270326 /nfs/dbraw/zinc/27/03/26/1077270326.db2.gz XHNCHBOYEUIAGL-MFKMUULPSA-N -1 3 318.333 2.005 20 5 DEBDHM Cc1noc(CN2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC001600812221 1077276624 /nfs/dbraw/zinc/27/66/24/1077276624.db2.gz CEUKMJLKVIKYCT-WOPDTQHZSA-N -1 3 323.349 2.357 20 5 DEBDHM O=C([O-])[C@@H]1CCC[C@@H]1NCc1c(F)cc([N+](=O)[O-])cc1F ZINC001608623322 1077665760 /nfs/dbraw/zinc/66/57/60/1077665760.db2.gz PPPBRASHYKPOKM-PELKAZGASA-N -1 3 300.261 2.216 20 5 DEBDHM O=[N+]([O-])c1cc(N[C@@H]2CCCC2(F)F)ccc1-c1nnn[n-]1 ZINC001609600845 1077881496 /nfs/dbraw/zinc/88/14/96/1077881496.db2.gz GYVBFCLPRFZQHK-SNVBAGLBSA-N -1 3 310.264 2.375 20 5 DEBDHM CCN1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C[C@H]1C ZINC001610007543 1077966417 /nfs/dbraw/zinc/96/64/17/1077966417.db2.gz CBJUIIGQCURBOQ-LLVKDONJSA-N -1 3 307.350 2.132 20 5 DEBDHM COC(=O)c1ccc(CN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001650620116 1079765007 /nfs/dbraw/zinc/76/50/07/1079765007.db2.gz LRBNUWNMRZDTDI-UHFFFAOYSA-N -1 3 317.301 2.118 20 5 DEBDHM CC[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001655871983 1080022696 /nfs/dbraw/zinc/02/26/96/1080022696.db2.gz ANSXNSLMSUIPCR-VIFPVBQESA-N -1 3 311.338 2.475 20 5 DEBDHM CCCCC(=O)NCCCN(CC)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095828575 1081447926 /nfs/dbraw/zinc/44/79/26/1081447926.db2.gz WELLJXFAHCSJAA-UHFFFAOYSA-N -1 3 324.381 2.218 20 5 DEBDHM Cc1cccc(CO[N-]C(=O)c2c(F)cccc2[N+](=O)[O-])n1 ZINC001301634101 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/nfs/dbraw/zinc/14/01/13/606140113.db2.gz GNTRFTVPYOADSK-SECBINFHSA-N -1 3 302.338 2.400 20 5 DEBDHM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C(C)(C)C1 ZINC000820774855 606140114 /nfs/dbraw/zinc/14/01/14/606140114.db2.gz GNTRFTVPYOADSK-SECBINFHSA-N -1 3 302.338 2.400 20 5 DEBDHM CC1(C)C(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1(C)C ZINC000820584321 606423796 /nfs/dbraw/zinc/42/37/96/606423796.db2.gz HWNWYRVSAPPLHA-UHFFFAOYSA-N -1 3 303.326 2.016 20 5 DEBDHM CC1(C)C(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1(C)C ZINC000820584321 606423797 /nfs/dbraw/zinc/42/37/97/606423797.db2.gz HWNWYRVSAPPLHA-UHFFFAOYSA-N -1 3 303.326 2.016 20 5 DEBDHM O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823367587 606484466 /nfs/dbraw/zinc/48/44/66/606484466.db2.gz LRJRXICLRGUXRT-UHFFFAOYSA-N -1 3 316.302 2.089 20 5 DEBDHM O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823367587 606484468 /nfs/dbraw/zinc/48/44/68/606484468.db2.gz LRJRXICLRGUXRT-UHFFFAOYSA-N -1 3 316.302 2.089 20 5 DEBDHM CCC1(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCC1 ZINC000820962410 606593822 /nfs/dbraw/zinc/59/38/22/606593822.db2.gz QIJYUFRTNJXKSR-UHFFFAOYSA-N -1 3 303.326 2.162 20 5 DEBDHM CCC1(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCC1 ZINC000820962410 606593824 /nfs/dbraw/zinc/59/38/24/606593824.db2.gz QIJYUFRTNJXKSR-UHFFFAOYSA-N -1 3 303.326 2.162 20 5 DEBDHM CO[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1(C)C ZINC000821678537 606609642 /nfs/dbraw/zinc/60/96/42/606609642.db2.gz OVHCSLDFOXEBLU-RYUDHWBXSA-N -1 3 318.337 2.000 20 5 DEBDHM CO[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1(C)C ZINC000821678537 606609643 /nfs/dbraw/zinc/60/96/43/606609643.db2.gz OVHCSLDFOXEBLU-RYUDHWBXSA-N -1 3 318.337 2.000 20 5 DEBDHM O=[N+]([O-])c1cc(NCCCOCC2CC2)ccc1-c1nnn[n-]1 ZINC000823634896 606645053 /nfs/dbraw/zinc/64/50/53/606645053.db2.gz NSWMRKOXDMQBAY-UHFFFAOYSA-N -1 3 318.337 2.004 20 5 DEBDHM CC(C)(C)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824071137 608160326 /nfs/dbraw/zinc/16/03/26/608160326.db2.gz GIGJONFIGHFENY-UHFFFAOYSA-N -1 3 324.728 2.413 20 5 DEBDHM CC(C)(C)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824071137 608160327 /nfs/dbraw/zinc/16/03/27/608160327.db2.gz GIGJONFIGHFENY-UHFFFAOYSA-N -1 3 324.728 2.413 20 5 DEBDHM O=[N+]([O-])c1ccsc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826500705 608583189 /nfs/dbraw/zinc/58/31/89/608583189.db2.gz IXVVNUKDUKCPGF-UHFFFAOYSA-N -1 3 302.319 2.449 20 5 DEBDHM O=[N+]([O-])c1ccsc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826500705 608583190 /nfs/dbraw/zinc/58/31/90/608583190.db2.gz IXVVNUKDUKCPGF-UHFFFAOYSA-N -1 3 302.319 2.449 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCC[C@@H]1CCCCO1 ZINC000826497296 609581623 /nfs/dbraw/zinc/58/16/23/609581623.db2.gz BOBXLWGLHSSBAC-NSHDSACASA-N -1 3 318.337 2.146 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCC[C@@H]1CCCCO1 ZINC000826497296 609581625 /nfs/dbraw/zinc/58/16/25/609581625.db2.gz BOBXLWGLHSSBAC-NSHDSACASA-N -1 3 318.337 2.146 20 5 DEBDHM O=C([N-]c1cc(C(F)(F)F)no1)c1ccc([N+](=O)[O-])cn1 ZINC000762545606 640437428 /nfs/dbraw/zinc/43/74/28/640437428.db2.gz MZILAOOFGHDDSK-UHFFFAOYSA-N -1 3 302.168 2.249 20 5 DEBDHM C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ncccc1[O-] ZINC000792614646 644131850 /nfs/dbraw/zinc/13/18/50/644131850.db2.gz WLFDVAQXCLAGQX-LUAWRHEFSA-N -1 3 313.313 2.415 20 5 DEBDHM COC(=O)c1cc(C(=O)OCc2cccc([N+](=O)[O-])c2)c[n-]1 ZINC000814529255 646901162 /nfs/dbraw/zinc/90/11/62/646901162.db2.gz XAFHVTLGHYOLTD-UHFFFAOYSA-N -1 3 304.258 2.067 20 5 DEBDHM O=C(CCOc1ccccc1[N+](=O)[O-])[N-]OCc1cccnc1 ZINC000152586115 647223211 /nfs/dbraw/zinc/22/32/11/647223211.db2.gz VCKSMLSZXAGXJW-UHFFFAOYSA-N -1 3 317.301 2.007 20 5 DEBDHM Cc1cc([N+](=O)[O-])c(F)c(C(=O)[N-]C2=NC[C@H](C)S2)c1F ZINC000854993015 651606118 /nfs/dbraw/zinc/60/61/18/651606118.db2.gz QLZCFALXPSAPHY-LURJTMIESA-N -1 3 315.301 2.403 20 5 DEBDHM Cc1csc([C@H]2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)n1 ZINC000872736606 689079443 /nfs/dbraw/zinc/07/94/43/689079443.db2.gz ILGDHWLGQGQIBX-VIFPVBQESA-N -1 3 306.347 2.454 20 5 DEBDHM O=C(CC1=CCCCC1)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093530538 792426871 /nfs/dbraw/zinc/42/68/71/792426871.db2.gz NKKJHUZBMYUYAT-UHFFFAOYSA-N -1 3 320.349 2.114 20 5 DEBDHM CCC(C)(CC)C(=O)NCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100133100 792481034 /nfs/dbraw/zinc/48/10/34/792481034.db2.gz LJAJCQNUSWDGPC-UHFFFAOYSA-N -1 3 324.381 2.074 20 5 DEBDHM O=c1[n-]ccc(NC2CCC(O)(C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC001118591137 795203262 /nfs/dbraw/zinc/20/32/62/795203262.db2.gz HLTGWAINBLOGQR-UHFFFAOYSA-N -1 3 321.255 2.343 20 5 DEBDHM CCn1cnc2c1ncnc2Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199818900 798536700 /nfs/dbraw/zinc/53/67/00/798536700.db2.gz GMQXRQICQBBTBM-UHFFFAOYSA-N -1 3 300.278 2.204 20 5 DEBDHM COc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1C(N)=O ZINC001201223251 798727740 /nfs/dbraw/zinc/72/77/40/798727740.db2.gz UZYOSGFDDXPOIZ-UHFFFAOYSA-N -1 3 303.274 2.152 20 5 DEBDHM COc1ccc(F)cc1CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001164124192 799515805 /nfs/dbraw/zinc/51/58/05/799515805.db2.gz DUUCPYPFSMFOHG-UHFFFAOYSA-N -1 3 307.281 2.498 20 5 DEBDHM O=c1[nH][n-]cc1CCCNc1cc2cccnc2c([N+](=O)[O-])c1 ZINC001164382993 799590329 /nfs/dbraw/zinc/59/03/29/799590329.db2.gz RXGYSRREWLJJJD-LLVKDONJSA-N -1 3 313.317 2.067 20 5 DEBDHM CCC(CC)C(=O)NCCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095489318 799627702 /nfs/dbraw/zinc/62/77/02/799627702.db2.gz QJRQQIIOCFGUMO-UHFFFAOYSA-N -1 3 324.381 2.074 20 5 DEBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H](C)C2CC2)c(F)cc1[N+](=O)[O-] ZINC001208516162 801001187 /nfs/dbraw/zinc/00/11/87/801001187.db2.gz SDRZJAXHCAJNFV-SECBINFHSA-N -1 3 316.354 2.367 20 5 DEBDHM Nc1ccccc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1F ZINC001210385029 801389696 /nfs/dbraw/zinc/38/96/96/801389696.db2.gz BXWBHUWSOKTOEX-UHFFFAOYSA-N -1 3 311.294 2.117 20 5 DEBDHM Cc1cc2[n-]c(O[C@@H]3CCNCC3(F)F)nc2cc1[N+](=O)[O-] ZINC001218006193 802130342 /nfs/dbraw/zinc/13/03/42/802130342.db2.gz JGQKKRCHWYLDAV-LLVKDONJSA-N -1 3 312.276 2.156 20 5 DEBDHM O=[N+]([O-])c1c([O-])cccc1O[C@H]1CC[C@@H](N2CCOCC2)CC1 ZINC001225624810 802992614 /nfs/dbraw/zinc/99/26/14/802992614.db2.gz DXQTUBRXFUCQKE-BETUJISGSA-N -1 3 322.361 2.323 20 5 DEBDHM CCc1cnc(=S)[n-]c1O[C@@H](C)Cn1c(C)ncc1[N+](=O)[O-] ZINC001227062390 803194394 /nfs/dbraw/zinc/19/43/94/803194394.db2.gz VSXMJZUVCLROLJ-QMMMGPOBSA-N -1 3 323.378 2.208 20 5 DEBDHM Cc1cc2nc(O[C@@H]3C(=O)OCC3(C)C)[n-]c2cc1[N+](=O)[O-] ZINC001228676276 803393567 /nfs/dbraw/zinc/39/35/67/803393567.db2.gz YHFFCYHATAMBIB-LLVKDONJSA-N -1 3 305.290 2.110 20 5 DEBDHM Cc1cc2[n-]c(O[C@@H]3C(=O)OCC3(C)C)nc2cc1[N+](=O)[O-] ZINC001228676276 803393572 /nfs/dbraw/zinc/39/35/72/803393572.db2.gz YHFFCYHATAMBIB-LLVKDONJSA-N -1 3 305.290 2.110 20 5 DEBDHM CCOC(=O)[C@H](CC(C)C)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228684884 803394348 /nfs/dbraw/zinc/39/43/48/803394348.db2.gz ACVXMHACDOUUPU-NSHDSACASA-N -1 3 312.322 2.360 20 5 DEBDHM CCN1CC[C@H](Oc2[n-]c(C(F)(F)F)cc(=O)c2[N+](=O)[O-])C1 ZINC001228863498 803421946 /nfs/dbraw/zinc/42/19/46/803421946.db2.gz ZERIQAGGHGCVPY-ZETCQYMHSA-N -1 3 321.255 2.187 20 5 DEBDHM CC(C)c1ccc(CN2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cc1[N+](=O)[O-] ZINC001591953742 976518235 /nfs/dbraw/zinc/51/82/35/976518235.db2.gz AYOXIGSNNDCISM-NHAGDIPZSA-N -1 3 304.346 2.481 20 5 DEBDHM CC[C@H](C)N(CC(=O)[O-])Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC001594979482 982770794 /nfs/dbraw/zinc/77/07/94/982770794.db2.gz SHLDWXCVYDVIKZ-JTQLQIEISA-N -1 3 324.333 2.067 20 5 DEBDHM COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001599462294 998295132 /nfs/dbraw/zinc/29/51/32/998295132.db2.gz MOPKZRLONANZPI-GXFFZTMASA-N -1 3 308.334 2.146 20 5 DEBDHM C[C@@H](N(C)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)C1(C)CC1 ZINC001603598255 1070001816 /nfs/dbraw/zinc/00/18/16/1070001816.db2.gz HGWVLQWYTBHGJN-SECBINFHSA-N -1 3 302.338 2.400 20 5 DEBDHM C[C@H]1CC(Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC001603861757 1070124932 /nfs/dbraw/zinc/12/49/32/1070124932.db2.gz NPUZGZJDYJPBJE-IUCAKERBSA-N -1 3 318.337 2.143 20 5 DEBDHM C[C@H]1CC(Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC001603861757 1070124937 /nfs/dbraw/zinc/12/49/37/1070124937.db2.gz NPUZGZJDYJPBJE-IUCAKERBSA-N -1 3 318.337 2.143 20 5 DEBDHM C[C@H]1SCCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)[C@@H]1C ZINC001603954499 1070157840 /nfs/dbraw/zinc/15/78/40/1070157840.db2.gz DBEGAAXKJLXVMO-RKDXNWHRSA-N -1 3 320.378 2.105 20 5 DEBDHM C[C@H]1SCCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)[C@H]1C ZINC001603954497 1070158900 /nfs/dbraw/zinc/15/89/00/1070158900.db2.gz DBEGAAXKJLXVMO-DTWKUNHWSA-N -1 3 320.378 2.105 20 5 DEBDHM COCCC(C)(C)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001605078154 1070606377 /nfs/dbraw/zinc/60/63/77/1070606377.db2.gz AJCHUMKESZCZLN-UHFFFAOYSA-N -1 3 320.353 2.250 20 5 DEBDHM COCCC(C)(C)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001605078154 1070606384 /nfs/dbraw/zinc/60/63/84/1070606384.db2.gz AJCHUMKESZCZLN-UHFFFAOYSA-N -1 3 320.353 2.250 20 5 DEBDHM CSCCCN(C)c1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001605375774 1070694427 /nfs/dbraw/zinc/69/44/27/1070694427.db2.gz SECHQMKWBRWZKU-UHFFFAOYSA-N -1 3 322.394 2.273 20 5 DEBDHM CSCCCN(C)c1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001605375774 1070694430 /nfs/dbraw/zinc/69/44/30/1070694430.db2.gz SECHQMKWBRWZKU-UHFFFAOYSA-N -1 3 322.394 2.273 20 5 DEBDHM Cc1ncc(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])s1 ZINC001606089282 1071040583 /nfs/dbraw/zinc/04/05/83/1071040583.db2.gz LXIYIAOPWOLSPC-UHFFFAOYSA-N -1 3 317.334 2.152 20 5 DEBDHM Cc1ncc(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])s1 ZINC001606089282 1071040593 /nfs/dbraw/zinc/04/05/93/1071040593.db2.gz LXIYIAOPWOLSPC-UHFFFAOYSA-N -1 3 317.334 2.152 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1SCCC(F)(F)F ZINC001607078623 1071287876 /nfs/dbraw/zinc/28/78/76/1071287876.db2.gz JKVKFRMRKZKMAG-UHFFFAOYSA-N -1 3 320.256 2.214 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1SCCC(F)(F)F ZINC001607078623 1071287880 /nfs/dbraw/zinc/28/78/80/1071287880.db2.gz JKVKFRMRKZKMAG-UHFFFAOYSA-N -1 3 320.256 2.214 20 5 DEBDHM O=[N+]([O-])c1cc(NCCc2ccsc2)ccc1-c1nnn[n-]1 ZINC001607078851 1071289106 /nfs/dbraw/zinc/28/91/06/1071289106.db2.gz AFQPYAWYNYJDNW-UHFFFAOYSA-N -1 3 316.346 2.491 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1C[C@@H]2CCCC[C@@H]21 ZINC001607076634 1071289191 /nfs/dbraw/zinc/28/91/91/1071289191.db2.gz AEICCVIOIKWZQD-KWQFWETISA-N -1 3 318.312 2.293 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1C[C@@H]2CCCC[C@@H]21 ZINC001607076634 1071289194 /nfs/dbraw/zinc/28/91/94/1071289194.db2.gz AEICCVIOIKWZQD-KWQFWETISA-N -1 3 318.312 2.293 20 5 DEBDHM O=[N+]([O-])c1ccccc1CSc1ccncc1-c1nnn[n-]1 ZINC001607085308 1071293357 /nfs/dbraw/zinc/29/33/57/1071293357.db2.gz NNGRAMBHTUAXRK-UHFFFAOYSA-N -1 3 314.330 2.462 20 5 DEBDHM O=[N+]([O-])c1ccccc1CSc1ccncc1-c1nn[n-]n1 ZINC001607085308 1071293365 /nfs/dbraw/zinc/29/33/65/1071293365.db2.gz NNGRAMBHTUAXRK-UHFFFAOYSA-N -1 3 314.330 2.462 20 5 DEBDHM O=c1[n-]ccc(N[C@@H]2COc3cc(F)ccc3C2)c1[N+](=O)[O-] ZINC001458499577 1058066674 /nfs/dbraw/zinc/06/66/74/1058066674.db2.gz VOPYEDPBCHZSPU-JTQLQIEISA-N -1 3 305.265 2.250 20 5 DEBDHM O=c1[n-]c(C2CC2)nc2c1CN(Cc1ccccc1[N+](=O)[O-])C2 ZINC001460726521 1058497736 /nfs/dbraw/zinc/49/77/36/1058497736.db2.gz PCQSQOXELGWUOS-UHFFFAOYSA-N -1 3 312.329 2.484 20 5 DEBDHM O=c1[n-]ccc(NCc2ccnc(-c3ccccn3)n2)c1[N+](=O)[O-] ZINC001472865655 1060598236 /nfs/dbraw/zinc/59/82/36/1060598236.db2.gz UCXNQGXEMWDHJQ-UHFFFAOYSA-N -1 3 324.300 2.160 20 5 DEBDHM CCOC(=O)C(CC)(CC)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001612701161 1078113417 /nfs/dbraw/zinc/11/34/17/1078113417.db2.gz UZLMEDRABAJLGJ-UHFFFAOYSA-N -1 3 311.338 2.477 20 5 DEBDHM O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCc1ccc([O-])c(F)c1 ZINC001630270251 1078336624 /nfs/dbraw/zinc/33/66/24/1078336624.db2.gz YAYBVVNYXSXTQK-UHFFFAOYSA-N -1 3 322.267 2.438 20 5 DEBDHM CC(=O)c1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1C ZINC001631306804 1078361644 /nfs/dbraw/zinc/36/16/44/1078361644.db2.gz UXNBHJPNSRNDEU-UHFFFAOYSA-N -1 3 315.285 2.459 20 5 DEBDHM O=c1[n-]ccc(NCC(F)(F)C2(O)CCCCC2)c1[N+](=O)[O-] ZINC001643302047 1078794474 /nfs/dbraw/zinc/79/44/74/1078794474.db2.gz QAQNJOIQYRCSMT-UHFFFAOYSA-N -1 3 317.292 2.438 20 5 DEBDHM CN(C(=O)c1cnc2ccccc2c1[O-])c1ccc([N+](=O)[O-])nc1 ZINC001519243057 1069039768 /nfs/dbraw/zinc/03/97/68/1069039768.db2.gz UETVFNOZGNNJIH-UHFFFAOYSA-N -1 3 324.296 2.108 20 5 DEBDHM Cc1[nH]nc(C(=O)[N-]c2ccc(F)c(F)c2F)c1[N+](=O)[O-] ZINC001544970165 1072556915 /nfs/dbraw/zinc/55/69/15/1072556915.db2.gz FWMFDKUBYZKXOK-UHFFFAOYSA-N -1 3 300.196 2.296 20 5 DEBDHM COC(=O)c1cc([N-]C(=O)c2ccns2)cc([N+](=O)[O-])c1 ZINC001565986368 1075213103 /nfs/dbraw/zinc/21/31/03/1075213103.db2.gz XCINAUJPPRKOOW-UHFFFAOYSA-N -1 3 307.287 2.090 20 5 DEBDHM Cc1ccc(OCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])nc1 ZINC001581211063 1076051983 /nfs/dbraw/zinc/05/19/83/1076051983.db2.gz QNFSYSXNEGADDJ-UHFFFAOYSA-N -1 3 312.289 2.057 20 5 DEBDHM Cc1ccc(OCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])nc1 ZINC001581211063 1076051987 /nfs/dbraw/zinc/05/19/87/1076051987.db2.gz QNFSYSXNEGADDJ-UHFFFAOYSA-N -1 3 312.289 2.057 20 5 DEBDHM CC1(C)C[C@@H](Sc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CO1 ZINC001590085571 1076559562 /nfs/dbraw/zinc/55/95/62/1076559562.db2.gz TWENQFNSGLYJGW-MRVPVSSYSA-N -1 3 321.362 2.435 20 5 DEBDHM CC1(C)C[C@@H](Sc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CO1 ZINC001590085571 1076559563 /nfs/dbraw/zinc/55/95/63/1076559563.db2.gz TWENQFNSGLYJGW-MRVPVSSYSA-N -1 3 321.362 2.435 20 5 DEBDHM CC1(C)SC[C@@H]1Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590119036 1076567664 /nfs/dbraw/zinc/56/76/64/1076567664.db2.gz XKEZPEDFJFGXHH-VIFPVBQESA-N -1 3 306.351 2.081 20 5 DEBDHM CC1(C)SC[C@@H]1Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590119036 1076567669 /nfs/dbraw/zinc/56/76/69/1076567669.db2.gz XKEZPEDFJFGXHH-VIFPVBQESA-N -1 3 306.351 2.081 20 5 DEBDHM C[C@@H]1CC(C)(C)CN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590195522 1076583163 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DEBDHM CC(C)Cc1nnc([N-]C(=O)c2c(N)cccc2[N+](=O)[O-])s1 ZINC000180689919 199197476 /nfs/dbraw/zinc/19/74/76/199197476.db2.gz UHSOMVCUFOPPDQ-UHFFFAOYSA-N -1 3 321.362 2.479 20 5 DEBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000594856752 358349836 /nfs/dbraw/zinc/34/98/36/358349836.db2.gz AKCCIKRKMSUNHZ-LLVKDONJSA-N -1 3 302.327 2.201 20 5 DEBDHM CCOc1cccc(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])n1 ZINC000596161387 358626504 /nfs/dbraw/zinc/62/65/04/358626504.db2.gz WNLPCASUIAAMHN-UHFFFAOYSA-N -1 3 304.306 2.144 20 5 DEBDHM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000600673424 359796135 /nfs/dbraw/zinc/79/61/35/359796135.db2.gz FVHKLTKMOOOBMZ-LBPRGKRZSA-N -1 3 321.377 2.137 20 5 DEBDHM O=c1[n-]ccc(N2CCN(c3cccc(F)c3)CC2)c1[N+](=O)[O-] ZINC000601262149 359985556 /nfs/dbraw/zinc/98/55/56/359985556.db2.gz UYPHJDLSBKXICZ-UHFFFAOYSA-N -1 3 318.308 2.161 20 5 DEBDHM Cc1cc(S(=O)(=O)[N-][C@]23C[C@H]2CCC3)c(F)cc1[N+](=O)[O-] ZINC000601462038 360047174 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COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000173516469 292076176 /nfs/dbraw/zinc/07/61/76/292076176.db2.gz UNHLSVPVMPMDKO-JTQLQIEISA-N -1 3 316.379 2.077 20 5 DEBDHM O=C([N-]c1ncc(-c2ccccn2)s1)c1c[nH]nc1[N+](=O)[O-] ZINC000564244004 292089704 /nfs/dbraw/zinc/08/97/04/292089704.db2.gz KJQNTEDOIPAKGC-UHFFFAOYSA-N -1 3 316.302 2.089 20 5 DEBDHM CC(C)[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CCN1C ZINC000564733275 292107772 /nfs/dbraw/zinc/10/77/72/292107772.db2.gz YAQZFYSSMQJTIZ-AWEZNQCLSA-N -1 3 307.350 2.069 20 5 DEBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1ccccc1F ZINC000048445371 402000647 /nfs/dbraw/zinc/00/06/47/402000647.db2.gz XEKXTQTZGWXNQZ-UHFFFAOYSA-N -1 3 310.306 2.212 20 5 DEBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccco2)cc1[N+](=O)[O-] ZINC000122639729 402088265 /nfs/dbraw/zinc/08/82/65/402088265.db2.gz XRHHZCDGYRRLKQ-UHFFFAOYSA-N -1 3 302.333 2.036 20 5 DEBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccccc2)cc1[N+](=O)[O-] ZINC000122662866 402089206 /nfs/dbraw/zinc/08/92/06/402089206.db2.gz 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DEBDHM CCOc1cccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000130824242 196112682 /nfs/dbraw/zinc/11/26/82/196112682.db2.gz VFSLSOIBYOFWBJ-UHFFFAOYSA-N -1 3 303.274 2.346 20 5 DEBDHM Cn1cccc([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])c1=O ZINC000132124609 196228395 /nfs/dbraw/zinc/22/83/95/196228395.db2.gz ZXAHSSJRRYUVFK-UHFFFAOYSA-N -1 3 307.693 2.199 20 5 DEBDHM COc1ccc([N-]C(=O)c2ncn(C(C)(C)C)n2)c([N+](=O)[O-])c1 ZINC000291070725 222113553 /nfs/dbraw/zinc/11/35/53/222113553.db2.gz FDNZKWJKUFBFBQ-UHFFFAOYSA-N -1 3 319.321 2.202 20 5 DEBDHM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@@H](N2CCCC2)C1 ZINC000367528906 304503778 /nfs/dbraw/zinc/50/37/78/304503778.db2.gz JXGLKQJBUUKZIV-CYBMUJFWSA-N -1 3 319.361 2.001 20 5 DEBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCCN2CCC[C@@H](C)C2)n1 ZINC000520233547 421741875 /nfs/dbraw/zinc/74/18/75/421741875.db2.gz CGTQUOLHONHXLT-SNVBAGLBSA-N -1 3 322.365 2.140 20 5 DEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@H]1Cc2ccccc21 ZINC000193983596 424873196 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/nfs/dbraw/zinc/27/44/20/803274420.db2.gz KELREXOZIHHNIM-SCZZXKLOSA-N -1 3 305.290 2.192 20 5 DEBDHM COC(=O)[C@@H]1CC[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227744897 803274422 /nfs/dbraw/zinc/27/44/22/803274422.db2.gz KELREXOZIHHNIM-SCZZXKLOSA-N -1 3 305.290 2.192 20 5 DEBDHM C[C@H]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001576156986 949467169 /nfs/dbraw/zinc/46/71/69/949467169.db2.gz OOAKUCBMQLQMAF-DTWKUNHWSA-N -1 3 317.353 2.205 20 5 DEBDHM C[C@H]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001576156986 949467179 /nfs/dbraw/zinc/46/71/79/949467179.db2.gz OOAKUCBMQLQMAF-DTWKUNHWSA-N -1 3 317.353 2.205 20 5 DEBDHM CC1(C)CCC[C@H]1CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603773173 1070093755 /nfs/dbraw/zinc/09/37/55/1070093755.db2.gz GZUAFZWDEMSYCD-JTQLQIEISA-N -1 3 317.353 2.408 20 5 DEBDHM CC1(C)CCC[C@H]1CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603773173 1070093775 /nfs/dbraw/zinc/09/37/75/1070093775.db2.gz GZUAFZWDEMSYCD-JTQLQIEISA-N -1 3 317.353 2.408 20 5 DEBDHM C[C@@H]1C[C@@H](CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCO1 ZINC001603851346 1070120982 /nfs/dbraw/zinc/12/09/82/1070120982.db2.gz YFBGAASZXNEZDS-ZJUUUORDSA-N -1 3 318.337 2.002 20 5 DEBDHM C[C@@H]1C[C@@H](CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCO1 ZINC001603851346 1070120986 /nfs/dbraw/zinc/12/09/86/1070120986.db2.gz YFBGAASZXNEZDS-ZJUUUORDSA-N -1 3 318.337 2.002 20 5 DEBDHM C[C@H]1CC(F)(F)CCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001603854698 1070122048 /nfs/dbraw/zinc/12/20/48/1070122048.db2.gz KVBDIQVAHTYRJR-QMMMGPOBSA-N -1 3 324.291 2.399 20 5 DEBDHM C[C@H]1CC(F)(F)CCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001603854698 1070122050 /nfs/dbraw/zinc/12/20/50/1070122050.db2.gz KVBDIQVAHTYRJR-QMMMGPOBSA-N -1 3 324.291 2.399 20 5 DEBDHM C[C@@H]1[C@H](C)CN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H]1C ZINC001603938977 1070152762 /nfs/dbraw/zinc/15/27/62/1070152762.db2.gz IDOWNNXLBAUQDP-HLTSFMKQSA-N -1 3 320.328 2.395 20 5 DEBDHM C[C@@H]1[C@H](C)CN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@H]1C ZINC001603938977 1070152764 /nfs/dbraw/zinc/15/27/64/1070152764.db2.gz IDOWNNXLBAUQDP-HLTSFMKQSA-N -1 3 320.328 2.395 20 5 DEBDHM CCC[C@@H](CNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1)OC ZINC001604143457 1070244042 /nfs/dbraw/zinc/24/40/42/1070244042.db2.gz GSGJEBMRMCJSAN-JTQLQIEISA-N -1 3 320.353 2.310 20 5 DEBDHM CCC[C@@H](CNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1)OC ZINC001604143457 1070244053 /nfs/dbraw/zinc/24/40/53/1070244053.db2.gz GSGJEBMRMCJSAN-JTQLQIEISA-N -1 3 320.353 2.310 20 5 DEBDHM CN(C[C@@H]1CC1(C)C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001604728477 1070480620 /nfs/dbraw/zinc/48/06/20/1070480620.db2.gz RDDVITUPQGQAET-VIFPVBQESA-N -1 3 302.338 2.257 20 5 DEBDHM CN(C[C@@H]1CC1(C)C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001604728477 1070480623 /nfs/dbraw/zinc/48/06/23/1070480623.db2.gz RDDVITUPQGQAET-VIFPVBQESA-N -1 3 302.338 2.257 20 5 DEBDHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001604835824 1070510276 /nfs/dbraw/zinc/51/02/76/1070510276.db2.gz UONYSZGWTWTMNP-PUXPGTEJSA-N -1 3 308.334 2.195 20 5 DEBDHM CO[C@@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001605030893 1070587462 /nfs/dbraw/zinc/58/74/62/1070587462.db2.gz QRMKCSQPXXGYKC-TVQRCGJNSA-N -1 3 318.337 2.002 20 5 DEBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001605798937 1070918481 /nfs/dbraw/zinc/91/84/81/1070918481.db2.gz IAFQQNGRFYBIIF-UHFFFAOYSA-N -1 3 324.300 2.336 20 5 DEBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001605798937 1070918489 /nfs/dbraw/zinc/91/84/89/1070918489.db2.gz IAFQQNGRFYBIIF-UHFFFAOYSA-N -1 3 324.300 2.336 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1CCCC1(F)F ZINC001607080659 1071290058 /nfs/dbraw/zinc/29/00/58/1071290058.db2.gz WFOQTLOBBNRIIE-JTQLQIEISA-N -1 3 310.264 2.375 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H]1CCCC1(F)F ZINC001607080659 1071290063 /nfs/dbraw/zinc/29/00/63/1071290063.db2.gz WFOQTLOBBNRIIE-JTQLQIEISA-N -1 3 310.264 2.375 20 5 DEBDHM O=[N+]([O-])c1ccc(Sc2cccc(-c3nnn[n-]3)c2)cn1 ZINC001607083539 1071293299 /nfs/dbraw/zinc/29/32/99/1071293299.db2.gz JGLHNZNCWUFABN-UHFFFAOYSA-N -1 3 300.303 2.321 20 5 DEBDHM O=[N+]([O-])c1ccc(Sc2cccc(-c3nn[n-]n3)c2)cn1 ZINC001607083539 1071293310 /nfs/dbraw/zinc/29/33/10/1071293310.db2.gz JGLHNZNCWUFABN-UHFFFAOYSA-N -1 3 300.303 2.321 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CSC1=NCCS1 ZINC001607083459 1071293388 /nfs/dbraw/zinc/29/33/88/1071293388.db2.gz HBDSPROQOLCCTN-UHFFFAOYSA-N -1 3 322.375 2.111 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CSC1=NCCS1 ZINC001607083459 1071293395 /nfs/dbraw/zinc/29/33/95/1071293395.db2.gz HBDSPROQOLCCTN-UHFFFAOYSA-N -1 3 322.375 2.111 20 5 DEBDHM COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C(=O)[O-])C[C@H]1C ZINC001607191942 1071361592 /nfs/dbraw/zinc/36/15/92/1071361592.db2.gz SROYNAQVWFDKQX-GHMZBOCLSA-N -1 3 308.334 2.289 20 5 DEBDHM CSc1cccc(C(=O)[N-]c2nnn(C(C)C)n2)c1[N+](=O)[O-] ZINC001538236423 1072333125 /nfs/dbraw/zinc/33/31/25/1072333125.db2.gz YQJXMUAJSCXOKB-UHFFFAOYSA-N -1 3 322.350 2.136 20 5 DEBDHM CC(=O)Nc1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001611766438 1078105844 /nfs/dbraw/zinc/10/58/44/1078105844.db2.gz QNHAQNFLYJCBQU-UHFFFAOYSA-N -1 3 302.290 2.266 20 5 DEBDHM COc1cccc(C(=O)Nc2ccc(O)cc2[O-])c1[N+](=O)[O-] ZINC001637011604 1078498902 /nfs/dbraw/zinc/49/89/02/1078498902.db2.gz TVXYIXYCOHIHBY-UHFFFAOYSA-N -1 3 304.258 2.267 20 5 DEBDHM CC(C)(C)c1coc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC001637317287 1078513972 /nfs/dbraw/zinc/51/39/72/1078513972.db2.gz WPLHMXAJZAYSNI-UHFFFAOYSA-N -1 3 306.278 2.233 20 5 DEBDHM O=C(Nc1ccc(O)cc1Cl)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001640351795 1078656302 /nfs/dbraw/zinc/65/63/02/1078656302.db2.gz HQVAFXSRFIUBGR-UHFFFAOYSA-N -1 3 309.665 2.307 20 5 DEBDHM Cc1cccc(C)c1NC(=O)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001642042867 1078740055 /nfs/dbraw/zinc/74/00/55/1078740055.db2.gz ADFJHGWVORUNFS-UHFFFAOYSA-N -1 3 316.317 2.363 20 5 DEBDHM COC(=O)c1cc([N-]C(=O)c2conc2C)c(C)c([N+](=O)[O-])c1 ZINC001520440748 1069137936 /nfs/dbraw/zinc/13/79/36/1069137936.db2.gz HWSOQVDNQBGASF-UHFFFAOYSA-N -1 3 319.273 2.239 20 5 DEBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CC2(C)C)c(F)cc1[N+](=O)[O-] ZINC001561243583 1075151794 /nfs/dbraw/zinc/15/17/94/1075151794.db2.gz UXKWTPNVYMRUAU-VIFPVBQESA-N -1 3 316.354 2.367 20 5 DEBDHM CC1(C)[C@H](CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1(F)F ZINC001590077632 1076556461 /nfs/dbraw/zinc/55/64/61/1076556461.db2.gz XCDIVJMHKFFZKF-JTQLQIEISA-N -1 3 324.291 2.478 20 5 DEBDHM C[C@@H]1OCC[C@H]1SCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590339353 1076613612 /nfs/dbraw/zinc/61/36/12/1076613612.db2.gz WCTVRFBFJXSRLS-QPUJVOFHSA-N -1 3 321.362 2.186 20 5 DEBDHM C[C@@H]1OCC[C@H]1SCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590339353 1076613613 /nfs/dbraw/zinc/61/36/13/1076613613.db2.gz WCTVRFBFJXSRLS-QPUJVOFHSA-N -1 3 321.362 2.186 20 5 DEBDHM CC[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ncc[nH]1 ZINC001590474142 1076637135 /nfs/dbraw/zinc/63/71/35/1076637135.db2.gz YVLQFLHEEPFKKV-SECBINFHSA-N -1 3 314.309 2.061 20 5 DEBDHM CC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ncc[nH]1 ZINC001590474142 1076637137 /nfs/dbraw/zinc/63/71/37/1076637137.db2.gz YVLQFLHEEPFKKV-SECBINFHSA-N -1 3 314.309 2.061 20 5 DEBDHM CCC[C@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])OC ZINC001590558586 1076652168 /nfs/dbraw/zinc/65/21/68/1076652168.db2.gz SQCXMRGGRMOSQP-SNVBAGLBSA-N -1 3 306.326 2.002 20 5 DEBDHM CCC[C@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])OC ZINC001590558586 1076652172 /nfs/dbraw/zinc/65/21/72/1076652172.db2.gz SQCXMRGGRMOSQP-SNVBAGLBSA-N -1 3 306.326 2.002 20 5 DEBDHM CCSC1(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001590851006 1076684171 /nfs/dbraw/zinc/68/41/71/1076684171.db2.gz RZNFOJWVSFMKGQ-UHFFFAOYSA-N -1 3 320.378 2.473 20 5 DEBDHM CCSC1(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001590851006 1076684174 /nfs/dbraw/zinc/68/41/74/1076684174.db2.gz RZNFOJWVSFMKGQ-UHFFFAOYSA-N -1 3 320.378 2.473 20 5 DEBDHM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc(-c2nnn[n-]2)c1 ZINC001592031718 1076833904 /nfs/dbraw/zinc/83/39/04/1076833904.db2.gz OOOZLPGNDGINCM-UHFFFAOYSA-N -1 3 324.300 2.336 20 5 DEBDHM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc(-c2nn[n-]n2)c1 ZINC001592031718 1076833909 /nfs/dbraw/zinc/83/39/09/1076833909.db2.gz OOOZLPGNDGINCM-UHFFFAOYSA-N -1 3 324.300 2.336 20 5 DEBDHM Cc1cc(NC[C@H]2C=CCC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592043425 1076837237 /nfs/dbraw/zinc/83/72/37/1076837237.db2.gz GFDWTLWGIFGXPS-JTQLQIEISA-N -1 3 300.322 2.461 20 5 DEBDHM Cc1cc(NC[C@H]2C=CCC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592043425 1076837240 /nfs/dbraw/zinc/83/72/40/1076837240.db2.gz GFDWTLWGIFGXPS-JTQLQIEISA-N -1 3 300.322 2.461 20 5 DEBDHM Cc1ccc(CNc2ncccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592167331 1076867285 /nfs/dbraw/zinc/86/72/85/1076867285.db2.gz HBTNJRMZGDEXMZ-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1ccc(CNc2ncccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592167331 1076867290 /nfs/dbraw/zinc/86/72/90/1076867290.db2.gz HBTNJRMZGDEXMZ-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CS[C@@H]1CCCOC1 ZINC001593467546 1077005380 /nfs/dbraw/zinc/00/53/80/1077005380.db2.gz BLRFXALPNQATEV-LLVKDONJSA-N -1 3 321.362 2.187 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CS[C@@H]1CCCOC1 ZINC001593467546 1077005383 /nfs/dbraw/zinc/00/53/83/1077005383.db2.gz BLRFXALPNQATEV-LLVKDONJSA-N -1 3 321.362 2.187 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Nc1ccc2n[nH]cc2c1 ZINC001593469793 1077007497 /nfs/dbraw/zinc/00/74/97/1077007497.db2.gz HNZCNHPOKDOACI-UHFFFAOYSA-N -1 3 322.288 2.395 20 5 DEBDHM O=[N+]([O-])c1ccc(Sc2cccc(F)c2-c2nnn[n-]2)nc1 ZINC001593479505 1077009263 /nfs/dbraw/zinc/00/92/63/1077009263.db2.gz HRLJWXJXWQUVJF-UHFFFAOYSA-N -1 3 318.293 2.460 20 5 DEBDHM O=[N+]([O-])c1ccc(NCC(F)(F)C(F)F)c(-c2nnn[n-]2)c1 ZINC001593478317 1077009445 /nfs/dbraw/zinc/00/94/45/1077009445.db2.gz TZHNHEDUJHZGOE-UHFFFAOYSA-N -1 3 320.206 2.087 20 5 DEBDHM O=[N+]([O-])c1ccc(NCC(F)(F)C(F)F)c(-c2nn[n-]n2)c1 ZINC001593478317 1077009446 /nfs/dbraw/zinc/00/94/46/1077009446.db2.gz TZHNHEDUJHZGOE-UHFFFAOYSA-N -1 3 320.206 2.087 20 5 DEBDHM CCC1(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCC1 ZINC001609197457 1077794751 /nfs/dbraw/zinc/79/47/51/1077794751.db2.gz DFTMGLMBSPJMBY-UHFFFAOYSA-N -1 3 303.326 2.162 20 5 DEBDHM CCC1(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCC1 ZINC001609197457 1077794754 /nfs/dbraw/zinc/79/47/54/1077794754.db2.gz DFTMGLMBSPJMBY-UHFFFAOYSA-N -1 3 303.326 2.162 20 5 DEBDHM O=[N+]([O-])c1cc(N2C[C@@H]3CCCC[C@H]3C2)ccc1-c1nnn[n-]1 ZINC001609601230 1077880980 /nfs/dbraw/zinc/88/09/80/1077880980.db2.gz SBHRBQDXVMCOIL-QWRGUYRKSA-N -1 3 314.349 2.401 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@@H]1CCC[C@H](F)C1 ZINC001609602796 1077882642 /nfs/dbraw/zinc/88/26/42/1077882642.db2.gz IPUDLBFFOULNGC-DTWKUNHWSA-N -1 3 306.301 2.468 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@@H]1CCC[C@H](F)C1 ZINC001609602796 1077882643 /nfs/dbraw/zinc/88/26/43/1077882643.db2.gz IPUDLBFFOULNGC-DTWKUNHWSA-N -1 3 306.301 2.468 20 5 DEBDHM COc1cc([O-])c(C)c(O[C@@H](C[N+](=O)[O-])C2CC2)c1C(C)=O ZINC001234792279 1084209600 /nfs/dbraw/zinc/20/96/00/1084209600.db2.gz YCFNBWQJCBOFFD-ZDUSSCGKSA-N -1 3 309.318 2.346 20 5 DEBDHM COc1cccc(-c2nnc(-c3c[n-]c(=O)c([N+](=O)[O-])c3)o2)c1 ZINC001253324514 1142863049 /nfs/dbraw/zinc/86/30/49/1142863049.db2.gz RPYMZIGMOUMAJE-UHFFFAOYSA-N -1 3 314.257 2.421 20 5 DEBDHM COc1cccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)c1[O-] ZINC000079141707 185160096 /nfs/dbraw/zinc/16/00/96/185160096.db2.gz XXTHYUZZELTVBL-UHFFFAOYSA-N -1 3 302.286 2.239 20 5 DEBDHM CNC(=O)c1ccc(Cl)c([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000079211594 185161529 /nfs/dbraw/zinc/16/15/29/185161529.db2.gz UVCHZZKHRBVSFO-UHFFFAOYSA-N -1 3 323.692 2.453 20 5 DEBDHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000332018805 529462124 /nfs/dbraw/zinc/46/21/24/529462124.db2.gz VIHWWAYXWTWMMS-VXNVDRBHSA-N -1 3 304.755 2.325 20 5 DEBDHM COc1cc(CNc2nnc(C(C)C)o2)c([N+](=O)[O-])cc1[O-] ZINC000181612110 199326961 /nfs/dbraw/zinc/32/69/61/199326961.db2.gz BFIHZKSVSBGBKU-UHFFFAOYSA-N -1 3 308.294 2.428 20 5 DEBDHM CC[C@H](CSC)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000181621273 199328520 /nfs/dbraw/zinc/32/85/20/199328520.db2.gz PNQPBVZFQVAEBO-SECBINFHSA-N -1 3 304.393 2.015 20 5 DEBDHM COc1cc(CNc2nc(C3CC3)no2)c([N+](=O)[O-])cc1[O-] ZINC000181859869 199363424 /nfs/dbraw/zinc/36/34/24/199363424.db2.gz XBTJFTOAKQGBTJ-UHFFFAOYSA-N -1 3 306.278 2.182 20 5 DEBDHM CCOC(=O)c1ncc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)[n-]1 ZINC000617872254 363295117 /nfs/dbraw/zinc/29/51/17/363295117.db2.gz OWIUAFWZDJFUHZ-UHFFFAOYSA-N -1 3 318.289 2.055 20 5 DEBDHM CCOC(=O)c1nc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c[n-]1 ZINC000617872254 363295118 /nfs/dbraw/zinc/29/51/18/363295118.db2.gz OWIUAFWZDJFUHZ-UHFFFAOYSA-N -1 3 318.289 2.055 20 5 DEBDHM CCOC(=O)c1ncc(NC(=O)c2cccc(C)c2[N+](=O)[O-])[n-]1 ZINC000617876376 363297448 /nfs/dbraw/zinc/29/74/48/363297448.db2.gz LSDLNJGCLKMWOD-UHFFFAOYSA-N -1 3 318.289 2.055 20 5 DEBDHM CCOC(=O)c1nc(NC(=O)c2cccc(C)c2[N+](=O)[O-])c[n-]1 ZINC000617876376 363297452 /nfs/dbraw/zinc/29/74/52/363297452.db2.gz LSDLNJGCLKMWOD-UHFFFAOYSA-N -1 3 318.289 2.055 20 5 DEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCC2CC2)c(F)c1 ZINC000076297959 355140301 /nfs/dbraw/zinc/14/03/01/355140301.db2.gz WHQRGRSUJLPCFA-UHFFFAOYSA-N -1 3 302.327 2.202 20 5 DEBDHM O=C([O-])C1CCN(CCCNc2ccc([N+](=O)[O-])s2)CC1 ZINC000592980923 357981675 /nfs/dbraw/zinc/98/16/75/357981675.db2.gz MKVDMDYTKMGPKK-UHFFFAOYSA-N -1 3 313.379 2.255 20 5 DEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccnc2Cl)cc1 ZINC000005925580 181296366 /nfs/dbraw/zinc/29/63/66/181296366.db2.gz LWEIMPPKXZDHBN-UHFFFAOYSA-N -1 3 313.722 2.444 20 5 DEBDHM CC[C@@H](C)CC[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000594819943 358343855 /nfs/dbraw/zinc/34/38/55/358343855.db2.gz XBEFTBMXBRGYIN-SNVBAGLBSA-N -1 3 316.379 2.318 20 5 DEBDHM COc1ccc(S(=O)(=O)[N-][C@@]2(C)CC2(C)C)c([N+](=O)[O-])c1 ZINC000595362447 358431268 /nfs/dbraw/zinc/43/12/68/358431268.db2.gz XXKZGDNEABUPEP-ZDUSSCGKSA-N -1 3 314.363 2.070 20 5 DEBDHM COc1c(C)cnc(CN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])c1C ZINC000596118262 358615394 /nfs/dbraw/zinc/61/53/94/358615394.db2.gz UYXIEWUHPXNEEK-UHFFFAOYSA-N -1 3 318.333 2.352 20 5 DEBDHM O=c1[n-]ccc(N2CCC(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000596209284 358640242 /nfs/dbraw/zinc/64/02/42/358640242.db2.gz RBOWWFQIPWCXHK-UHFFFAOYSA-N -1 3 300.318 2.474 20 5 DEBDHM O=c1[n-]ccc(NC[C@]2(CO)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000596236308 358648290 /nfs/dbraw/zinc/64/82/90/358648290.db2.gz GEEQZHFIPCPAMU-WBMJQRKESA-N -1 3 315.329 2.274 20 5 DEBDHM O=c1[n-]ccc(N[C@H]2CCO[C@@H](c3ccncc3)C2)c1[N+](=O)[O-] ZINC000596257800 358653969 /nfs/dbraw/zinc/65/39/69/358653969.db2.gz MMJOULPHRUMXPH-WCQYABFASA-N -1 3 316.317 2.423 20 5 DEBDHM O=c1[n-]ccc(NC[C@@H]2CCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000596558574 358713001 /nfs/dbraw/zinc/71/30/01/358713001.db2.gz RBEHBTULANCIIQ-ZDUSSCGKSA-N -1 3 314.345 2.382 20 5 DEBDHM C[C@@H](CN1CCC(C)CC1)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000598265897 359141892 /nfs/dbraw/zinc/14/18/92/359141892.db2.gz VMIXOJXYRUNHQR-LBPRGKRZSA-N -1 3 321.377 2.151 20 5 DEBDHM CCOC(=O)c1sc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])cc1C ZINC000598324288 359162329 /nfs/dbraw/zinc/16/23/29/359162329.db2.gz RONZSDYPWKOEIS-UHFFFAOYSA-N -1 3 324.318 2.117 20 5 DEBDHM Cc1cnc([N-]c2cnn(C[C@H]3CCCO3)c2)c([N+](=O)[O-])c1 ZINC000610283908 361380237 /nfs/dbraw/zinc/38/02/37/361380237.db2.gz DSAJIIJHPFGJNA-GFCCVEGCSA-N -1 3 303.322 2.417 20 5 DEBDHM O=C([N-]c1nncn1C1CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000288213838 220021963 /nfs/dbraw/zinc/02/19/63/220021963.db2.gz RBHPWPKTKVHKDV-UHFFFAOYSA-N -1 3 307.697 2.427 20 5 DEBDHM O=C([N-]c1nc(C(F)(F)F)cs1)c1n[nH]cc1[N+](=O)[O-] ZINC000159933807 291661311 /nfs/dbraw/zinc/66/13/11/291661311.db2.gz UPTRMMFMKWPCRR-UHFFFAOYSA-N -1 3 307.213 2.046 20 5 DEBDHM CC[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000316002974 291697486 /nfs/dbraw/zinc/69/74/86/291697486.db2.gz VZMYMLQSYPZPKC-LLVKDONJSA-N -1 3 307.350 2.214 20 5 DEBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](C)C(F)(F)F ZINC000288680219 220343706 /nfs/dbraw/zinc/34/37/06/220343706.db2.gz UJIYLNMUSSYDFH-SSDOTTSWSA-N -1 3 312.269 2.132 20 5 DEBDHM CS[C@@H](C)C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000158033169 197238058 /nfs/dbraw/zinc/23/80/58/197238058.db2.gz MHVPGFMTBWUURN-VIFPVBQESA-N -1 3 318.420 2.241 20 5 DEBDHM CS[C@H](C)C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000157888079 197223465 /nfs/dbraw/zinc/22/34/65/197223465.db2.gz RBDCHJUGBAWOQW-SNVBAGLBSA-N -1 3 318.420 2.241 20 5 DEBDHM Cc1cc(NCc2nnc(C(F)(F)F)[n-]2)ncc1[N+](=O)[O-] ZINC000359698033 133139886 /nfs/dbraw/zinc/13/98/86/133139886.db2.gz VIBOGGMGCHJRDY-UHFFFAOYSA-N -1 3 302.216 2.047 20 5 DEBDHM Cc1cc(NCc2n[n-]c(C(F)(F)F)n2)ncc1[N+](=O)[O-] ZINC000359698033 133139887 /nfs/dbraw/zinc/13/98/87/133139887.db2.gz VIBOGGMGCHJRDY-UHFFFAOYSA-N -1 3 302.216 2.047 20 5 DEBDHM Cc1cc(NCc2nc(C(F)(F)F)n[n-]2)ncc1[N+](=O)[O-] ZINC000359698033 133139888 /nfs/dbraw/zinc/13/98/88/133139888.db2.gz VIBOGGMGCHJRDY-UHFFFAOYSA-N -1 3 302.216 2.047 20 5 DEBDHM CC[C@@H](C)n1ncc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1C ZINC000362404627 133227938 /nfs/dbraw/zinc/22/79/38/133227938.db2.gz UEDYRVCNMXLHPL-MRVPVSSYSA-N -1 3 319.321 2.424 20 5 DEBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ccnnc2OC)c1 ZINC000346517612 146096060 /nfs/dbraw/zinc/09/60/60/146096060.db2.gz XEUOCHTWXZKVKE-UHFFFAOYSA-N -1 3 318.289 2.044 20 5 DEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(O)c2F)cc1 ZINC000127889333 401754240 /nfs/dbraw/zinc/75/42/40/401754240.db2.gz AUFWRKFTBKDTEG-UHFFFAOYSA-N -1 3 312.278 2.240 20 5 DEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)CC1CC1 ZINC000112707849 401755383 /nfs/dbraw/zinc/75/53/83/401755383.db2.gz KCLMNVDREAJJFF-SECBINFHSA-N -1 3 314.363 2.070 20 5 DEBDHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000047343313 401981197 /nfs/dbraw/zinc/98/11/97/401981197.db2.gz UBWBFTGJIUGSKD-UHFFFAOYSA-N -1 3 310.273 2.027 20 5 DEBDHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000047343313 401981198 /nfs/dbraw/zinc/98/11/98/401981198.db2.gz UBWBFTGJIUGSKD-UHFFFAOYSA-N -1 3 310.273 2.027 20 5 DEBDHM CC1([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000167410673 402491468 /nfs/dbraw/zinc/49/14/68/402491468.db2.gz RCJZZUAPKFYHLZ-UHFFFAOYSA-N -1 3 304.755 2.469 20 5 DEBDHM Nc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1cc(F)c(F)cc1F ZINC000183561416 402776164 /nfs/dbraw/zinc/77/61/64/402776164.db2.gz GFPUBRYPVNEMNK-UHFFFAOYSA-N -1 3 312.207 2.242 20 5 DEBDHM C/C=C/C[C@H](CO)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000274577005 403068831 /nfs/dbraw/zinc/06/88/31/403068831.db2.gz NNEUILGCDFMDIB-KXMPLOMGSA-N -1 3 314.288 2.130 20 5 DEBDHM CC(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000269480929 403142469 /nfs/dbraw/zinc/14/24/69/403142469.db2.gz OOZOBUXDPWADDO-UHFFFAOYSA-N -1 3 312.269 2.300 20 5 DEBDHM O=C(NCc1ncccc1[O-])Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347262508 403641410 /nfs/dbraw/zinc/64/14/10/403641410.db2.gz MMSCUZRQPXIOKA-UHFFFAOYSA-N -1 3 306.253 2.156 20 5 DEBDHM Cc1nn(Cc2nc(=O)c3c(C)c(C)sc3[n-]2)cc1[N+](=O)[O-] ZINC000294291076 403694744 /nfs/dbraw/zinc/69/47/44/403694744.db2.gz UFTMSJOGWMDOKU-UHFFFAOYSA-N -1 3 319.346 2.475 20 5 DEBDHM Cc1ncc(CNCc2ccc([N+](=O)[O-])cc2Cl)c(=O)[n-]1 ZINC000344368177 404088186 /nfs/dbraw/zinc/08/81/86/404088186.db2.gz VLXIHSBHLWUKFP-UHFFFAOYSA-N -1 3 308.725 2.342 20 5 DEBDHM CC(C)(NC(=O)c1csc(=O)[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000350120713 404325899 /nfs/dbraw/zinc/32/58/99/404325899.db2.gz GAFZUZVENILHJE-UHFFFAOYSA-N -1 3 307.331 2.422 20 5 DEBDHM O=C(Nc1cc(F)ccc1[O-])c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000352404450 404345599 /nfs/dbraw/zinc/34/55/99/404345599.db2.gz HQPKBEGIBVSGCX-UHFFFAOYSA-N -1 3 320.232 2.421 20 5 DEBDHM Cc1noc(C)c1[N-]C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000352340528 404300193 /nfs/dbraw/zinc/30/01/93/404300193.db2.gz PGSGPTMQKJCNMM-UHFFFAOYSA-N -1 3 305.246 2.181 20 5 DEBDHM O=C(NCc1ccccc1[N+](=O)[O-])c1c[n-]nc1-c1ccccn1 ZINC000352473466 404396257 /nfs/dbraw/zinc/39/62/57/404396257.db2.gz VBDQYVIUUZFLBS-UHFFFAOYSA-N -1 3 323.312 2.310 20 5 DEBDHM Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ncccc2[O-])c1 ZINC000345011809 404499549 /nfs/dbraw/zinc/49/95/49/404499549.db2.gz MBYGWSBUDNUTQL-UHFFFAOYSA-N -1 3 317.301 2.411 20 5 DEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CC23CC3)c(Cl)c1 ZINC000416656640 404873260 /nfs/dbraw/zinc/87/32/60/404873260.db2.gz YKJPDKGEHDCRFX-MRVPVSSYSA-N -1 3 316.766 2.327 20 5 DEBDHM CN1CCC2(CCCN2C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000378603355 405010401 /nfs/dbraw/zinc/01/04/01/405010401.db2.gz CMZVVYDUGNNYJW-UHFFFAOYSA-N -1 3 319.361 2.001 20 5 DEBDHM O=C(Nc1scnc1C1CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445142136 405346700 /nfs/dbraw/zinc/34/67/00/405346700.db2.gz GZIQEEUUWKHNEX-UHFFFAOYSA-N -1 3 306.303 2.282 20 5 DEBDHM COc1cc(CNc2nc3ccccc3[nH]2)c([N+](=O)[O-])cc1[O-] ZINC000446966562 405397733 /nfs/dbraw/zinc/39/77/33/405397733.db2.gz NVXBQENZRNPJOM-UHFFFAOYSA-N -1 3 314.301 2.219 20 5 DEBDHM Cc1cc(N(C)CCN(C)C2CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000570850162 406446929 /nfs/dbraw/zinc/44/69/29/406446929.db2.gz ZVJCTDLWWDSGHQ-UHFFFAOYSA-N -1 3 307.350 2.132 20 5 DEBDHM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@H](N2CCCC2)C1 ZINC000367528907 304504294 /nfs/dbraw/zinc/50/42/94/304504294.db2.gz JXGLKQJBUUKZIV-ZDUSSCGKSA-N -1 3 319.361 2.001 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2noc([N-][C@@H](CO)C3CCCC3)n2)cc1 ZINC000357777016 424819754 /nfs/dbraw/zinc/81/97/54/424819754.db2.gz XURCXJGVMXVIJL-ZDUSSCGKSA-N -1 3 318.333 2.608 20 5 DEBDHM COc1cc(CNc2cc3c(cn2)CCC3)cc([N+](=O)[O-])c1[O-] ZINC000339555642 424944002 /nfs/dbraw/zinc/94/40/02/424944002.db2.gz JADVSNMJMCPBQG-UHFFFAOYSA-N -1 3 315.329 2.805 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2noc([N-][C@@H]3CCO[C@@H]3C3CC3)n2)cc1 ZINC000340569198 424948662 /nfs/dbraw/zinc/94/86/62/424948662.db2.gz DBLHQFRGYYRJTR-CHWSQXEVSA-N -1 3 316.317 2.624 20 5 DEBDHM CN1CCCC(C)(C)[C@H]1CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000517376600 269384279 /nfs/dbraw/zinc/38/42/79/269384279.db2.gz BZOOCXYKIDOXEI-LLVKDONJSA-N -1 3 322.365 2.220 20 5 DEBDHM O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1cccc2nn[n-]c21 ZINC000526931084 269507406 /nfs/dbraw/zinc/50/74/06/269507406.db2.gz XYRXOLXHTOPSPX-UHFFFAOYSA-N -1 3 301.237 2.258 20 5 DEBDHM O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1cccc2[n-]nnc21 ZINC000526931084 269507407 /nfs/dbraw/zinc/50/74/07/269507407.db2.gz XYRXOLXHTOPSPX-UHFFFAOYSA-N -1 3 301.237 2.258 20 5 DEBDHM O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1cccc2n[n-]nc21 ZINC000526931084 269507408 /nfs/dbraw/zinc/50/74/08/269507408.db2.gz XYRXOLXHTOPSPX-UHFFFAOYSA-N -1 3 301.237 2.258 20 5 DEBDHM Cc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nc2n(n1)CCCC2 ZINC000457116856 302039850 /nfs/dbraw/zinc/03/98/50/302039850.db2.gz FGKQBTQDEWRGNM-UHFFFAOYSA-N -1 3 301.306 2.083 20 5 DEBDHM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000449511658 304804338 /nfs/dbraw/zinc/80/43/38/304804338.db2.gz RZXODENADFIDMW-GOEBONIOSA-N -1 3 306.362 2.187 20 5 DEBDHM C[C@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H](C)C(=O)[O-] ZINC000576949970 326331892 /nfs/dbraw/zinc/33/18/92/326331892.db2.gz VWFIJMANIOFRLP-UWVGGRQHSA-N -1 3 319.317 2.449 20 5 DEBDHM COc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC000135404334 500851671 /nfs/dbraw/zinc/85/16/71/500851671.db2.gz ZGQIILAACSEMRW-UHFFFAOYSA-N -1 3 302.286 2.490 20 5 DEBDHM CNC(=O)CC[C@@H]1CCCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339195394 524070104 /nfs/dbraw/zinc/07/01/04/524070104.db2.gz OATDXUBYHTZNAZ-ZDUSSCGKSA-N -1 3 321.377 2.181 20 5 DEBDHM C[C@@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)N1CCCC[C@H]1C ZINC000356321028 524714752 /nfs/dbraw/zinc/71/47/52/524714752.db2.gz FWQPVPOUIBTOQQ-NEPJUHHUSA-N -1 3 321.377 2.293 20 5 DEBDHM C[C@@H]1C[C@@H]1Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820676887 599520551 /nfs/dbraw/zinc/52/05/51/599520551.db2.gz OWXJWPNJCMVMLL-KRTXAFLBSA-N -1 3 311.305 2.143 20 5 DEBDHM C[C@@H]1C[C@@H]1Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820676887 599520552 /nfs/dbraw/zinc/52/05/52/599520552.db2.gz OWXJWPNJCMVMLL-KRTXAFLBSA-N -1 3 311.305 2.143 20 5 DEBDHM C[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H]1C ZINC000820709434 599578740 /nfs/dbraw/zinc/57/87/40/599578740.db2.gz IMHRXRYYSKBHRZ-UWVGGRQHSA-N -1 3 302.338 2.400 20 5 DEBDHM C[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@H]1C ZINC000820709434 599578741 /nfs/dbraw/zinc/57/87/41/599578741.db2.gz IMHRXRYYSKBHRZ-UWVGGRQHSA-N -1 3 302.338 2.400 20 5 DEBDHM CCCN(CC1CC1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821094444 607466267 /nfs/dbraw/zinc/46/62/67/607466267.db2.gz JNLIVCCSBUWUKU-UHFFFAOYSA-N -1 3 302.338 2.401 20 5 DEBDHM CCCN(CC1CC1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821094444 607466269 /nfs/dbraw/zinc/46/62/69/607466269.db2.gz JNLIVCCSBUWUKU-UHFFFAOYSA-N -1 3 302.338 2.401 20 5 DEBDHM Cc1cnc(OCc2ccccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000822399172 606182429 /nfs/dbraw/zinc/18/24/29/606182429.db2.gz BCQJHHMYMMYATN-UHFFFAOYSA-N -1 3 312.289 2.057 20 5 DEBDHM Cc1cnc(OCc2ccccc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000822399172 606182430 /nfs/dbraw/zinc/18/24/30/606182430.db2.gz BCQJHHMYMMYATN-UHFFFAOYSA-N -1 3 312.289 2.057 20 5 DEBDHM CO[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1(C)C ZINC000821678535 606609577 /nfs/dbraw/zinc/60/95/77/606609577.db2.gz OVHCSLDFOXEBLU-NEPJUHHUSA-N -1 3 318.337 2.000 20 5 DEBDHM CO[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1(C)C ZINC000821678535 606609578 /nfs/dbraw/zinc/60/95/78/606609578.db2.gz OVHCSLDFOXEBLU-NEPJUHHUSA-N -1 3 318.337 2.000 20 5 DEBDHM Cc1nc(NCc2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000822453184 606698045 /nfs/dbraw/zinc/69/80/45/606698045.db2.gz DUUVFSODXOXJLP-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1nc(NCc2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000822453184 606698047 /nfs/dbraw/zinc/69/80/47/606698047.db2.gz DUUVFSODXOXJLP-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM CC[C@]1(C)CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000820958417 606948983 /nfs/dbraw/zinc/94/89/83/606948983.db2.gz UWYOIJVVXVXYML-CQSZACIVSA-N -1 3 302.338 2.401 20 5 DEBDHM CC[C@]1(C)CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000820958417 606948985 /nfs/dbraw/zinc/94/89/85/606948985.db2.gz UWYOIJVVXVXYML-CQSZACIVSA-N -1 3 302.338 2.401 20 5 DEBDHM CC[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000825146328 607904443 /nfs/dbraw/zinc/90/44/43/607904443.db2.gz CKTYUSYYXIBEKA-GWCFXTLKSA-N -1 3 318.337 2.144 20 5 DEBDHM CC[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000825146328 607904444 /nfs/dbraw/zinc/90/44/44/607904444.db2.gz CKTYUSYYXIBEKA-GWCFXTLKSA-N -1 3 318.337 2.144 20 5 DEBDHM C[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccccc1[N+](=O)[O-] ZINC000824613538 608429063 /nfs/dbraw/zinc/42/90/63/608429063.db2.gz UNTXMPGUIJCCEE-SECBINFHSA-N -1 3 314.305 2.219 20 5 DEBDHM C[C@@H](NCc1ccc(-c2nn[n-]n2)o1)c1ccccc1[N+](=O)[O-] ZINC000824613538 608429065 /nfs/dbraw/zinc/42/90/65/608429065.db2.gz UNTXMPGUIJCCEE-SECBINFHSA-N -1 3 314.305 2.219 20 5 DEBDHM O=[N+]([O-])c1ccsc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000826500796 608583469 /nfs/dbraw/zinc/58/34/69/608583469.db2.gz MMMYJHDKKGVAEC-UHFFFAOYSA-N -1 3 302.319 2.449 20 5 DEBDHM O=[N+]([O-])c1ccsc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000826500796 608583471 /nfs/dbraw/zinc/58/34/71/608583471.db2.gz MMMYJHDKKGVAEC-UHFFFAOYSA-N -1 3 302.319 2.449 20 5 DEBDHM COc1cc(CNc2nccn2C2CC2)cc([N+](=O)[O-])c1[O-] ZINC000840886807 650371983 /nfs/dbraw/zinc/37/19/83/650371983.db2.gz DMEAXWLKWHOIRS-UHFFFAOYSA-N -1 3 304.306 2.453 20 5 DEBDHM Cc1n[n-]c(C)c1S(=O)(=O)Oc1cccc([N+](=O)[O-])c1C ZINC000775468118 642047300 /nfs/dbraw/zinc/04/73/00/642047300.db2.gz WJDBRZIHUUBEDA-UHFFFAOYSA-N -1 3 311.319 2.011 20 5 DEBDHM O=C([N-]Cc1cscn1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000777970291 642327879 /nfs/dbraw/zinc/32/78/79/642327879.db2.gz DCIDLXTUOZMNJP-UHFFFAOYSA-N -1 3 313.285 2.460 20 5 DEBDHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]N1CCCC1=O ZINC000780702389 642662068 /nfs/dbraw/zinc/66/20/68/642662068.db2.gz VMHOSHHRUYSYTE-UHFFFAOYSA-N -1 3 323.374 2.364 20 5 DEBDHM C[C@@H]1C[C@H](C)N(Cc2cccnc2[N+](=O)[O-])[C@@H](C)[C@H]1C(=O)[O-] ZINC000903952798 643528253 /nfs/dbraw/zinc/52/82/53/643528253.db2.gz WFSJQOZMNXZRQJ-BLFANLJRSA-N -1 3 307.350 2.309 20 5 DEBDHM O=C([N-]OC1CCC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000812790633 646697257 /nfs/dbraw/zinc/69/72/57/646697257.db2.gz BKVOWBXQWSOVIZ-UHFFFAOYSA-N -1 3 303.274 2.063 20 5 DEBDHM COc1ccc(/C=C2/C(=O)[N-]C(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000171752892 646711849 /nfs/dbraw/zinc/71/18/49/646711849.db2.gz BMFKSSHMUWWPSZ-MDWZMJQESA-N -1 3 324.292 2.414 20 5 DEBDHM COC(=O)c1cc(C(=O)Oc2cc(F)cc([N+](=O)[O-])c2)c[n-]1 ZINC000815988604 647076093 /nfs/dbraw/zinc/07/60/93/647076093.db2.gz PWYOVRHNJGDXNT-UHFFFAOYSA-N -1 3 308.221 2.068 20 5 DEBDHM Cc1nnc([N-]C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)s1 ZINC000040864444 683888899 /nfs/dbraw/zinc/88/88/99/683888899.db2.gz QOOCFNKXNWEFRZ-UHFFFAOYSA-N -1 3 323.290 2.224 20 5 DEBDHM O=c1[nH][n-]cc1CCCNc1ccc2cccc([N+](=O)[O-])c2n1 ZINC001156277846 785117064 /nfs/dbraw/zinc/11/70/64/785117064.db2.gz BWAZJWVQJZGDPV-LLVKDONJSA-N -1 3 313.317 2.067 20 5 DEBDHM CN(CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C1(C)CCC1 ZINC001109591605 785945626 /nfs/dbraw/zinc/94/56/26/785945626.db2.gz NZCUAWRBHOYAFL-UHFFFAOYSA-N -1 3 322.365 2.146 20 5 DEBDHM CC(C)=C(F)C(=O)N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001097169844 788005943 /nfs/dbraw/zinc/00/59/43/788005943.db2.gz NQBBYSOVJOPGQR-DTORHVGOSA-N -1 3 324.312 2.018 20 5 DEBDHM Cc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(C)c1O ZINC001137397669 788347997 /nfs/dbraw/zinc/34/79/97/788347997.db2.gz FCYPNIYQXHURDZ-UHFFFAOYSA-N -1 3 303.274 2.270 20 5 DEBDHM CC(C)(C)CCCC(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093555473 792435022 /nfs/dbraw/zinc/43/50/22/792435022.db2.gz RSXCCDZGANZCOV-UHFFFAOYSA-N -1 3 324.381 2.440 20 5 DEBDHM CCC1(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC001093826769 792609354 /nfs/dbraw/zinc/60/93/54/792609354.db2.gz ADDLBYSYOVJZTP-UHFFFAOYSA-N -1 3 322.365 2.194 20 5 DEBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C(C)(C)C1CC1 ZINC001101899733 793431914 /nfs/dbraw/zinc/43/19/14/793431914.db2.gz ZWSHNGGGQBGLLM-UHFFFAOYSA-N -1 3 322.365 2.002 20 5 DEBDHM CCC(=O)NCCCCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094920652 793447407 /nfs/dbraw/zinc/44/74/07/793447407.db2.gz KCWCZSRQGCZQOF-UHFFFAOYSA-N -1 3 310.354 2.194 20 5 DEBDHM COc1ccc(Nc2ccc(C(N)=O)c([O-])c2)cc1[N+](=O)[O-] ZINC001176365811 794415739 /nfs/dbraw/zinc/41/57/39/794415739.db2.gz GTYCQXWJHAVQOY-UHFFFAOYSA-N -1 3 303.274 2.152 20 5 DEBDHM COc1ccc(Nc2ccc(C(N)=O)cc2[O-])cc1[N+](=O)[O-] ZINC001176365566 794415763 /nfs/dbraw/zinc/41/57/63/794415763.db2.gz CPRRNVNJCKBWNS-UHFFFAOYSA-N -1 3 303.274 2.152 20 5 DEBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1coc(OC)n1 ZINC001141720353 796686035 /nfs/dbraw/zinc/68/60/35/796686035.db2.gz JDFHNJHHRFBGBW-UHFFFAOYSA-N -1 3 307.262 2.242 20 5 DEBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1ccc(C(N)=O)s1 ZINC000800145364 799322331 /nfs/dbraw/zinc/32/23/31/799322331.db2.gz IRCFBQJAZCMIBX-UHFFFAOYSA-N -1 3 323.305 2.455 20 5 DEBDHM O=C(OCCc1ccc([N+](=O)[O-])cc1)c1cccc2nn[n-]c21 ZINC000800209352 799340761 /nfs/dbraw/zinc/34/07/61/799340761.db2.gz ZLAWWNUWNGSBRJ-UHFFFAOYSA-N -1 3 312.285 2.266 20 5 DEBDHM O=C(OCCc1ccc([N+](=O)[O-])cc1)c1cccc2[n-]nnc21 ZINC000800209352 799340770 /nfs/dbraw/zinc/34/07/70/799340770.db2.gz ZLAWWNUWNGSBRJ-UHFFFAOYSA-N -1 3 312.285 2.266 20 5 DEBDHM O=C(OCCc1ccc([N+](=O)[O-])cc1)c1cccc2n[n-]nc21 ZINC000800209352 799340777 /nfs/dbraw/zinc/34/07/77/799340777.db2.gz ZLAWWNUWNGSBRJ-UHFFFAOYSA-N -1 3 312.285 2.266 20 5 DEBDHM CCOC(=O)c1cc(Nc2cnc(C)[n-]c2=O)cc([N+](=O)[O-])c1 ZINC001211370217 801555982 /nfs/dbraw/zinc/55/59/82/801555982.db2.gz XLQFUHSEMGEGDA-UHFFFAOYSA-N -1 3 318.289 2.319 20 5 DEBDHM O=Nc1c(=O)[n-]c(=O)[nH]c1Nc1c(F)ccc([N+](=O)[O-])c1F ZINC001215289553 801830245 /nfs/dbraw/zinc/83/02/45/801830245.db2.gz MYPDBSXEZNZXLV-UHFFFAOYSA-N -1 3 313.176 2.216 20 5 DEBDHM COC[C@]1(C(=O)[O-])CCCCN1Cc1cccc([N+](=O)[O-])c1 ZINC001599189547 997097792 /nfs/dbraw/zinc/09/77/92/997097792.db2.gz DQTVQVSNCXPBNX-HNNXBMFYSA-N -1 3 308.334 2.051 20 5 DEBDHM C[C@H]1CC(Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC001603861955 1070124822 /nfs/dbraw/zinc/12/48/22/1070124822.db2.gz OPJAYEJFHRXRON-IUCAKERBSA-N -1 3 318.337 2.143 20 5 DEBDHM Cc1cnccc1CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001605986084 1070999958 /nfs/dbraw/zinc/99/99/58/1070999958.db2.gz IYKWEJSTZNMCHQ-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1cnccc1CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001605986084 1070999959 /nfs/dbraw/zinc/99/99/59/1070999959.db2.gz IYKWEJSTZNMCHQ-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1nn([C@H](C)c2ccc(-c3nnn[n-]3)cc2)c(C)c1[N+](=O)[O-] ZINC001606105376 1071043229 /nfs/dbraw/zinc/04/32/29/1071043229.db2.gz WQLBZUBJDCWSBZ-SECBINFHSA-N -1 3 313.321 2.198 20 5 DEBDHM Cc1nn([C@H](C)c2ccc(-c3nn[n-]n3)cc2)c(C)c1[N+](=O)[O-] ZINC001606105376 1071043233 /nfs/dbraw/zinc/04/32/33/1071043233.db2.gz WQLBZUBJDCWSBZ-SECBINFHSA-N -1 3 313.321 2.198 20 5 DEBDHM Nc1c([N+](=O)[O-])ccc(N2CCCCCCC2)c1-c1nnn[n-]1 ZINC001606451474 1071147093 /nfs/dbraw/zinc/14/70/93/1071147093.db2.gz KQFYTSWYRFTVKR-UHFFFAOYSA-N -1 3 317.353 2.128 20 5 DEBDHM Nc1c([N+](=O)[O-])ccc(N2CCCCCCC2)c1-c1nn[n-]n1 ZINC001606451474 1071147100 /nfs/dbraw/zinc/14/71/00/1071147100.db2.gz KQFYTSWYRFTVKR-UHFFFAOYSA-N -1 3 317.353 2.128 20 5 DEBDHM O=[N+]([O-])c1ccc(NCc2ccc(O)cc2)c(-c2nnn[n-]2)c1 ZINC001607081530 1071290361 /nfs/dbraw/zinc/29/03/61/1071290361.db2.gz CIGROXZDFHPCEV-UHFFFAOYSA-N -1 3 312.289 2.093 20 5 DEBDHM O=[N+]([O-])c1ccc(NCc2ccc(O)cc2)c(-c2nn[n-]n2)c1 ZINC001607081530 1071290369 /nfs/dbraw/zinc/29/03/69/1071290369.db2.gz CIGROXZDFHPCEV-UHFFFAOYSA-N -1 3 312.289 2.093 20 5 DEBDHM O=[N+]([O-])c1ccc(N2CC[C@H](C3CCC3)C2)c(-c2nnn[n-]2)c1 ZINC001607082528 1071291607 /nfs/dbraw/zinc/29/16/07/1071291607.db2.gz ZDGCSVDPRJCQBP-NSHDSACASA-N -1 3 314.349 2.401 20 5 DEBDHM O=[N+]([O-])c1ccc(N2CC[C@H](C3CCC3)C2)c(-c2nn[n-]n2)c1 ZINC001607082528 1071291617 /nfs/dbraw/zinc/29/16/17/1071291617.db2.gz ZDGCSVDPRJCQBP-NSHDSACASA-N -1 3 314.349 2.401 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CC(C2CCCC2)C1 ZINC001607083995 1071292918 /nfs/dbraw/zinc/29/29/18/1071292918.db2.gz PSUCPNLPQUCOAZ-UHFFFAOYSA-N -1 3 314.349 2.401 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CC(C2CCCC2)C1 ZINC001607083995 1071292930 /nfs/dbraw/zinc/29/29/30/1071292930.db2.gz PSUCPNLPQUCOAZ-UHFFFAOYSA-N -1 3 314.349 2.401 20 5 DEBDHM O=[N+]([O-])c1cnc(NCCC[C@@H]2C=CCC2)c(-c2nnn[n-]2)c1 ZINC001607086997 1071293042 /nfs/dbraw/zinc/29/30/42/1071293042.db2.gz XCYAFOIGNJVZJJ-SNVBAGLBSA-N -1 3 315.337 2.328 20 5 DEBDHM O=[N+]([O-])c1cnc(NCCC[C@@H]2C=CCC2)c(-c2nn[n-]n2)c1 ZINC001607086997 1071293053 /nfs/dbraw/zinc/29/30/53/1071293053.db2.gz XCYAFOIGNJVZJJ-SNVBAGLBSA-N -1 3 315.337 2.328 20 5 DEBDHM O=[N+]([O-])c1cnc(NC[C@@H]2CCC[C@@H]3C[C@@H]32)c(-c2nnn[n-]2)c1 ZINC001607087063 1071293694 /nfs/dbraw/zinc/29/36/94/1071293694.db2.gz ZNUSBUUNTVFBTB-YWVKMMECSA-N -1 3 315.337 2.018 20 5 DEBDHM O=[N+]([O-])c1cnc(NC[C@@H]2CCC[C@@H]3C[C@@H]32)c(-c2nn[n-]n2)c1 ZINC001607087063 1071293703 /nfs/dbraw/zinc/29/37/03/1071293703.db2.gz ZNUSBUUNTVFBTB-YWVKMMECSA-N -1 3 315.337 2.018 20 5 DEBDHM O=c1[n-]ccc(NC[C@@H](O)c2c(F)cccc2F)c1[N+](=O)[O-] ZINC001458588409 1058072976 /nfs/dbraw/zinc/07/29/76/1058072976.db2.gz CLBIABHKPSFFKY-SNVBAGLBSA-N -1 3 311.244 2.119 20 5 DEBDHM C[C@@H](Nc1cccnc1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001458634788 1058076888 /nfs/dbraw/zinc/07/68/88/1058076888.db2.gz FOKYGIRZNMGCFL-RXMQYKEDSA-N -1 3 302.216 2.300 20 5 DEBDHM COc1cc(CN[C@H]2C[C@@H](C)n3ccnc32)c([N+](=O)[O-])cc1[O-] ZINC001461502705 1058669813 /nfs/dbraw/zinc/66/98/13/1058669813.db2.gz RLHRKIJQHAZBSR-KOLCDFICSA-N -1 3 318.333 2.301 20 5 DEBDHM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc2cc[nH]c21 ZINC001631707922 1078370444 /nfs/dbraw/zinc/37/04/44/1078370444.db2.gz DWMWSZDQGYIOEQ-UHFFFAOYSA-N -1 3 312.285 2.453 20 5 DEBDHM O=c1[n-]ccc(N2Cc3cnn(-c4ccccc4)c3C2)c1[N+](=O)[O-] ZINC001642741024 1078767514 /nfs/dbraw/zinc/76/75/14/1078767514.db2.gz ZQICQYRHWGDKCQ-UHFFFAOYSA-N -1 3 323.312 2.401 20 5 DEBDHM O=c1[n-]ccc(NCc2cc3c([nH]c2=O)CCCC3)c1[N+](=O)[O-] ZINC001643082359 1078783116 /nfs/dbraw/zinc/78/31/16/1078783116.db2.gz OHANPCJXTNFKNG-UHFFFAOYSA-N -1 3 316.317 2.287 20 5 DEBDHM CCCC[C@@H](CC)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001561114878 1075151419 /nfs/dbraw/zinc/15/14/19/1075151419.db2.gz XDNUMMARFPKRCC-LLVKDONJSA-N -1 3 315.395 2.485 20 5 DEBDHM Cc1cc(Oc2cncc(F)c2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001581043443 1076037289 /nfs/dbraw/zinc/03/72/89/1076037289.db2.gz ABTKWGTWAGLJLA-UHFFFAOYSA-N -1 3 316.252 2.410 20 5 DEBDHM Cc1cc(Oc2cncc(F)c2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001581043443 1076037292 /nfs/dbraw/zinc/03/72/92/1076037292.db2.gz ABTKWGTWAGLJLA-UHFFFAOYSA-N -1 3 316.252 2.410 20 5 DEBDHM CC(C)(C)[C@@H]1CCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589104132 1076475767 /nfs/dbraw/zinc/47/57/67/1076475767.db2.gz AMJWGMDMFDUPCJ-LBPRGKRZSA-N -1 3 302.338 2.400 20 5 DEBDHM CC(C)(C)[C@@H]1CCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589104132 1076475772 /nfs/dbraw/zinc/47/57/72/1076475772.db2.gz AMJWGMDMFDUPCJ-LBPRGKRZSA-N -1 3 302.338 2.400 20 5 DEBDHM CC(C)OCCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589747235 1076507702 /nfs/dbraw/zinc/50/77/02/1076507702.db2.gz JCKFHWZSOQDQLP-UHFFFAOYSA-N -1 3 306.326 2.002 20 5 DEBDHM CC(C)OCCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589747235 1076507706 /nfs/dbraw/zinc/50/77/06/1076507706.db2.gz JCKFHWZSOQDQLP-UHFFFAOYSA-N -1 3 306.326 2.002 20 5 DEBDHM CC1(CC(=O)OCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001590123606 1076569625 /nfs/dbraw/zinc/56/96/25/1076569625.db2.gz PKMAYMUQSCMWLU-UHFFFAOYSA-N -1 3 317.305 2.008 20 5 DEBDHM CC1(CC(=O)OCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001590123606 1076569628 /nfs/dbraw/zinc/56/96/28/1076569628.db2.gz PKMAYMUQSCMWLU-UHFFFAOYSA-N -1 3 317.305 2.008 20 5 DEBDHM C[C@H]1CCCCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001590254101 1076600655 /nfs/dbraw/zinc/60/06/55/1076600655.db2.gz JRAFEAXHWZKGFH-JTQLQIEISA-N -1 3 302.338 2.401 20 5 DEBDHM C[C@H]1CCCCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001590254101 1076600657 /nfs/dbraw/zinc/60/06/57/1076600657.db2.gz JRAFEAXHWZKGFH-JTQLQIEISA-N -1 3 302.338 2.401 20 5 DEBDHM C[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001590261285 1076603459 /nfs/dbraw/zinc/60/34/59/1076603459.db2.gz MCFYALCKVJATPU-SNVBAGLBSA-N -1 3 302.338 2.401 20 5 DEBDHM C[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001590261285 1076603464 /nfs/dbraw/zinc/60/34/64/1076603464.db2.gz MCFYALCKVJATPU-SNVBAGLBSA-N -1 3 302.338 2.401 20 5 DEBDHM CCC1(CC)CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001590493451 1076639092 /nfs/dbraw/zinc/63/90/92/1076639092.db2.gz KPZFDHKXCIIEBT-UHFFFAOYSA-N -1 3 302.338 2.401 20 5 DEBDHM CCC1(CC)CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001590493451 1076639093 /nfs/dbraw/zinc/63/90/93/1076639093.db2.gz KPZFDHKXCIIEBT-UHFFFAOYSA-N -1 3 302.338 2.401 20 5 DEBDHM CCN(CCC1CC1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590692065 1076670179 /nfs/dbraw/zinc/67/01/79/1076670179.db2.gz GAINIXVTGMMDGG-UHFFFAOYSA-N -1 3 302.338 2.401 20 5 DEBDHM CCN(CCC1CC1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590692065 1076670183 /nfs/dbraw/zinc/67/01/83/1076670183.db2.gz GAINIXVTGMMDGG-UHFFFAOYSA-N -1 3 302.338 2.401 20 5 DEBDHM CN(C[Si](C)(C)C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591126408 1076709346 /nfs/dbraw/zinc/70/93/46/1076709346.db2.gz UZFHSSAQALYPHX-UHFFFAOYSA-N -1 3 306.402 2.089 20 5 DEBDHM CN(C[Si](C)(C)C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591126408 1076709347 /nfs/dbraw/zinc/70/93/47/1076709347.db2.gz UZFHSSAQALYPHX-UHFFFAOYSA-N -1 3 306.402 2.089 20 5 DEBDHM CN(Cc1ccsc1)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591150637 1076715011 /nfs/dbraw/zinc/71/50/11/1076715011.db2.gz DZPYFIXCFYFOSH-UHFFFAOYSA-N -1 3 316.346 2.473 20 5 DEBDHM CN(Cc1ccsc1)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591150637 1076715012 /nfs/dbraw/zinc/71/50/12/1076715012.db2.gz DZPYFIXCFYFOSH-UHFFFAOYSA-N -1 3 316.346 2.473 20 5 DEBDHM CO[C@@H](CNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1)C(C)C ZINC001591330070 1076725065 /nfs/dbraw/zinc/72/50/65/1076725065.db2.gz VBWRYLLFFIBTHJ-ZDUSSCGKSA-N -1 3 320.353 2.166 20 5 DEBDHM CO[C@@H](CNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1)C(C)C ZINC001591330070 1076725070 /nfs/dbraw/zinc/72/50/70/1076725070.db2.gz VBWRYLLFFIBTHJ-ZDUSSCGKSA-N -1 3 320.353 2.166 20 5 DEBDHM Cc1c(NC(=O)c2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC001591827433 1076789596 /nfs/dbraw/zinc/78/95/96/1076789596.db2.gz OGVVAVNQWCXBMG-UHFFFAOYSA-N -1 3 324.300 2.336 20 5 DEBDHM Cc1c(NC(=O)c2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC001591827433 1076789603 /nfs/dbraw/zinc/78/96/03/1076789603.db2.gz OGVVAVNQWCXBMG-UHFFFAOYSA-N -1 3 324.300 2.336 20 5 DEBDHM Cc1cc(N(C)Cc2ccoc2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591996823 1076827585 /nfs/dbraw/zinc/82/75/85/1076827585.db2.gz KMOTYJNEVBTAIY-UHFFFAOYSA-N -1 3 314.305 2.313 20 5 DEBDHM Cc1cc(N(C)Cc2ccoc2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591996823 1076827590 /nfs/dbraw/zinc/82/75/90/1076827590.db2.gz KMOTYJNEVBTAIY-UHFFFAOYSA-N -1 3 314.305 2.313 20 5 DEBDHM Cc1cc(NCc2ccco2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592053141 1076838525 /nfs/dbraw/zinc/83/85/25/1076838525.db2.gz NSWBAJGNCMRJRG-UHFFFAOYSA-N -1 3 300.278 2.288 20 5 DEBDHM Cc1cc(NCc2ccco2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592053141 1076838528 /nfs/dbraw/zinc/83/85/28/1076838528.db2.gz NSWBAJGNCMRJRG-UHFFFAOYSA-N -1 3 300.278 2.288 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@H]1CCC[C@@H](F)C1 ZINC001593474840 1077007691 /nfs/dbraw/zinc/00/76/91/1077007691.db2.gz LGSRVRLTSGQAKJ-ZJUUUORDSA-N -1 3 306.301 2.468 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@H]1CCC[C@@H](F)C1 ZINC001593474840 1077007695 /nfs/dbraw/zinc/00/76/95/1077007695.db2.gz LGSRVRLTSGQAKJ-ZJUUUORDSA-N -1 3 306.301 2.468 20 5 DEBDHM O=[N+]([O-])c1ccccc1OCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001593486726 1077010993 /nfs/dbraw/zinc/01/09/93/1077010993.db2.gz JCSAFEATMMRLFJ-UHFFFAOYSA-N -1 3 315.264 2.493 20 5 DEBDHM O=[N+]([O-])c1ccccc1OCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001593486726 1077010999 /nfs/dbraw/zinc/01/09/99/1077010999.db2.gz JCSAFEATMMRLFJ-UHFFFAOYSA-N -1 3 315.264 2.493 20 5 DEBDHM Cc1nn(CN(CCC(=O)[O-])C(C)C)c2cc([N+](=O)[O-])ccc12 ZINC001600787520 1077270352 /nfs/dbraw/zinc/27/03/52/1077270352.db2.gz HNNXCIVCAGNFMF-UHFFFAOYSA-N -1 3 320.349 2.396 20 5 DEBDHM C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)CC(F)F ZINC001609114203 1077765775 /nfs/dbraw/zinc/76/57/75/1077765775.db2.gz ZMIHCYKCOAFVNA-SSDOTTSWSA-N -1 3 312.280 2.478 20 5 DEBDHM C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)CC(F)F ZINC001609114203 1077765781 /nfs/dbraw/zinc/76/57/81/1077765781.db2.gz ZMIHCYKCOAFVNA-SSDOTTSWSA-N -1 3 312.280 2.478 20 5 DEBDHM CC[C@H]1[C@@H](C)CCN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609198551 1077794481 /nfs/dbraw/zinc/79/44/81/1077794481.db2.gz DDCZKAJMZQSUBI-CABZTGNLSA-N -1 3 302.338 2.400 20 5 DEBDHM CO[C@H]([C@H](C)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)C1CC1 ZINC001609309515 1077828766 /nfs/dbraw/zinc/82/87/66/1077828766.db2.gz QUAOAHMUBVYYEY-ISVAXAHUSA-N -1 3 318.337 2.000 20 5 DEBDHM O=[N+]([O-])c1cc(NC[C@@H]2CCCS2)ccc1-c1nnn[n-]1 ZINC001609601018 1077881393 /nfs/dbraw/zinc/88/13/93/1077881393.db2.gz NOCGCVBGUGZHOW-VIFPVBQESA-N -1 3 306.351 2.082 20 5 DEBDHM O=[N+]([O-])c1ccc(N2CC3(C2)CCCC3)c(-c2nnn[n-]2)c1 ZINC001609601373 1077882165 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COc1cccc(-c2nnc(-c3cc([N+](=O)[O-])c[n-]c3=O)o2)c1 ZINC001253324275 1142863233 /nfs/dbraw/zinc/86/32/33/1142863233.db2.gz MJRIBALSOQZGAU-UHFFFAOYSA-N -1 3 314.257 2.421 20 5 DEBDHM COc1cc(CNc2nc(C(C)C)no2)c([N+](=O)[O-])cc1[O-] ZINC000181855810 199362502 /nfs/dbraw/zinc/36/25/02/199362502.db2.gz CMIHUVPSAABOSE-UHFFFAOYSA-N -1 3 308.294 2.428 20 5 DEBDHM CSCCO[N-]C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000280041079 215331738 /nfs/dbraw/zinc/33/17/38/215331738.db2.gz PGOZAPLTFNHPMY-UHFFFAOYSA-N -1 3 309.347 2.029 20 5 DEBDHM Cn1cnc([N+](=O)[O-])c1Sc1n[n-]c(-c2ccccc2F)n1 ZINC000042678113 354202615 /nfs/dbraw/zinc/20/26/15/354202615.db2.gz NWKHPTBPEDXTPZ-UHFFFAOYSA-N -1 3 320.309 2.404 20 5 DEBDHM CN(C)CCn1cc([N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cn1 ZINC000057854546 354582239 /nfs/dbraw/zinc/58/22/39/354582239.db2.gz RUFJWPGGVGCYEO-UHFFFAOYSA-N -1 3 320.309 2.005 20 5 DEBDHM COc1ccc([N+](=O)[O-])cc1CN(CC(=O)[O-])C1CCCC1 ZINC000386331488 356695754 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CCC(C)(C)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619473048 363807354 /nfs/dbraw/zinc/80/73/54/363807354.db2.gz YKHZGNPRKUYVSV-UHFFFAOYSA-N -1 3 302.352 2.070 20 5 DEBDHM Nc1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c1 ZINC000093634352 193277743 /nfs/dbraw/zinc/27/77/43/193277743.db2.gz QBPZYFOQDWPDEG-UHFFFAOYSA-N -1 3 311.294 2.117 20 5 DEBDHM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cscn1 ZINC000102980790 284286996 /nfs/dbraw/zinc/28/69/96/284286996.db2.gz JMDACFCGPBDTKA-UHFFFAOYSA-N -1 3 321.314 2.465 20 5 DEBDHM COC(=O)[C@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]1C(C)C ZINC000339209389 284366697 /nfs/dbraw/zinc/36/66/97/284366697.db2.gz ONPRZSKSFGNHKI-ZFWWWQNUSA-N -1 3 322.361 2.320 20 5 DEBDHM CS[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000157911373 197226154 /nfs/dbraw/zinc/22/61/54/197226154.db2.gz JUTRNKXRHPGBCK-SSDOTTSWSA-N -1 3 324.811 2.278 20 5 DEBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCSC2)c([N+](=O)[O-])c1 ZINC000362125480 133212744 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CN(Cc1ccc(-c2nnn[n-]2)cc1)c1sccc1[N+](=O)[O-] ZINC000825961866 608582687 /nfs/dbraw/zinc/58/26/87/608582687.db2.gz OAXJGEVBXKIYOV-UHFFFAOYSA-N -1 3 316.346 2.473 20 5 DEBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1sccc1[N+](=O)[O-] ZINC000825961866 608582688 /nfs/dbraw/zinc/58/26/88/608582688.db2.gz OAXJGEVBXKIYOV-UHFFFAOYSA-N -1 3 316.346 2.473 20 5 DEBDHM Cc1cnc([C@H](C)Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])o1 ZINC000826317504 609434728 /nfs/dbraw/zinc/43/47/28/609434728.db2.gz FKKLFOMDQRNIQG-QMMMGPOBSA-N -1 3 315.293 2.244 20 5 DEBDHM Cc1cnc([C@H](C)Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])o1 ZINC000826317504 609434729 /nfs/dbraw/zinc/43/47/29/609434729.db2.gz FKKLFOMDQRNIQG-QMMMGPOBSA-N -1 3 315.293 2.244 20 5 DEBDHM O=[N+]([O-])c1c(F)cccc1NCc1nc(C(F)(F)F)n[n-]1 ZINC000775541439 625420877 /nfs/dbraw/zinc/42/08/77/625420877.db2.gz ADOFFOHGILCGRO-UHFFFAOYSA-N -1 3 305.191 2.483 20 5 DEBDHM Cc1nc2c(c(=O)[n-]1)CN([C@@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC000931318998 625759617 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CCN(CC(=O)[O-])Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000901426803 642656492 /nfs/dbraw/zinc/65/64/92/642656492.db2.gz RLPWFRQPAYZESI-UHFFFAOYSA-N -1 3 304.249 2.103 20 5 DEBDHM Cc1ccc(CN2CCSC[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000901890475 642812483 /nfs/dbraw/zinc/81/24/83/642812483.db2.gz JVQLYTCJMSMTJD-GFCCVEGCSA-N -1 3 310.375 2.153 20 5 DEBDHM C[C@@H]1C[C@H](C)N(Cc2cccnc2[N+](=O)[O-])[C@H](C)[C@H]1C(=O)[O-] ZINC000903952801 643528118 /nfs/dbraw/zinc/52/81/18/643528118.db2.gz WFSJQOZMNXZRQJ-XZUYRWCXSA-N -1 3 307.350 2.309 20 5 DEBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(Cl)nc(Cl)c2)n1 ZINC000787933994 643561071 /nfs/dbraw/zinc/56/10/71/643561071.db2.gz BHJSVDGRXGFDJM-UHFFFAOYSA-N -1 3 316.104 2.282 20 5 DEBDHM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ncccc1[O-] ZINC000792614647 644132135 /nfs/dbraw/zinc/13/21/35/644132135.db2.gz WLFDVAQXCLAGQX-PKNBQFBNSA-N -1 3 313.313 2.415 20 5 DEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]3CCC[C@@H]23)c(F)c1 ZINC000907971445 644710017 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COC(=O)[C@]12CCC[C@H]1N(Cc1cc([O-])ccc1[N+](=O)[O-])CC2 ZINC000880183780 690832588 /nfs/dbraw/zinc/83/25/88/690832588.db2.gz ZSCDDBCTFRKBBK-ZBFHGGJFSA-N -1 3 320.345 2.218 20 5 DEBDHM CC(C)n1nnc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)n1 ZINC001439496324 1181112182 /nfs/dbraw/zinc/11/21/82/1181112182.db2.gz HZTOTNIRDIVIDW-UHFFFAOYSA-N -1 3 316.277 2.161 20 5 DEBDHM CC(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCCCCC1 ZINC001095803869 783287477 /nfs/dbraw/zinc/28/74/77/783287477.db2.gz LJVBFVBFANBIEF-UHFFFAOYSA-N -1 3 322.365 2.336 20 5 DEBDHM CC/C=C(\C)C(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001110074066 786151991 /nfs/dbraw/zinc/15/19/91/786151991.db2.gz ZXSGHUNPLFRVRH-ONNFQVAWSA-N -1 3 320.349 2.112 20 5 DEBDHM CC(C)CCC(=O)N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001096999668 787937178 /nfs/dbraw/zinc/93/71/78/787937178.db2.gz MNSDYZNJMIZYAR-XYPYZODXSA-N -1 3 322.365 2.191 20 5 DEBDHM CCCCCC(=O)N(C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101495918 793186682 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COc1c([O-])ccc(CNc2cnn(CCF)c2)c1[N+](=O)[O-] ZINC001206689149 800575586 /nfs/dbraw/zinc/57/55/86/800575586.db2.gz OZWIZIQKZVEOCG-UHFFFAOYSA-N -1 3 310.285 2.087 20 5 DEBDHM O=[N+]([O-])c1ccc([O-])c(O[C@H]2CC[C@@H](N3CCOCC3)CC2)c1 ZINC001229400428 801271027 /nfs/dbraw/zinc/27/10/27/801271027.db2.gz VMBFHFBCHXYVKC-XBXGTLAGSA-N -1 3 322.361 2.323 20 5 DEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC2CC=CC2)c(F)c1 ZINC001213657940 801631273 /nfs/dbraw/zinc/63/12/73/801631273.db2.gz MNUZWCKWHAKSHF-UHFFFAOYSA-N -1 3 314.338 2.369 20 5 DEBDHM O=[N+]([O-])c1c([O-])cccc1O[C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001225619604 802991743 /nfs/dbraw/zinc/99/17/43/802991743.db2.gz DXQTUBRXFUCQKE-JOCQHMNTSA-N -1 3 322.361 2.323 20 5 DEBDHM O=c1ccc(OC2CCN(c3ccccc3[N+](=O)[O-])CC2)n[n-]1 ZINC001227093891 803200421 /nfs/dbraw/zinc/20/04/21/803200421.db2.gz WDYZVESDCZLUQU-UHFFFAOYSA-N -1 3 316.317 2.138 20 5 DEBDHM COC(=O)[C@@H]1CCC[C@@H](Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])C1 ZINC001228688622 803395774 /nfs/dbraw/zinc/39/57/74/803395774.db2.gz LKUZWFUXPGUNRM-NXEZZACHSA-N -1 3 310.306 2.114 20 5 DEBDHM CC(C)(C)OCCN[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001590388153 989905246 /nfs/dbraw/zinc/90/52/46/989905246.db2.gz HVFAEQKNQLWKPU-OAHLLOKOSA-N -1 3 310.350 2.299 20 5 DEBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN[C@@H]2CCOC23CCCC3)c1 ZINC001602403419 1069628331 /nfs/dbraw/zinc/62/83/31/1069628331.db2.gz GAZJGLIJNZJMHG-CQSZACIVSA-N -1 3 320.345 2.484 20 5 DEBDHM C[C@@]1(F)CCCN(Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001603809270 1070109560 /nfs/dbraw/zinc/10/95/60/1070109560.db2.gz FFIPDSZIRTUCBS-CQSZACIVSA-N -1 3 320.328 2.099 20 5 DEBDHM C[C@@]1(F)CCCN(Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001603809270 1070109564 /nfs/dbraw/zinc/10/95/64/1070109564.db2.gz FFIPDSZIRTUCBS-CQSZACIVSA-N -1 3 320.328 2.099 20 5 DEBDHM C[C@H]1C[C@@H](CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCO1 ZINC001603851344 1070121102 /nfs/dbraw/zinc/12/11/02/1070121102.db2.gz YFBGAASZXNEZDS-UWVGGRQHSA-N -1 3 318.337 2.002 20 5 DEBDHM C[C@H]1C[C@@H](CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCO1 ZINC001603851344 1070121108 /nfs/dbraw/zinc/12/11/08/1070121108.db2.gz YFBGAASZXNEZDS-UWVGGRQHSA-N -1 3 318.337 2.002 20 5 DEBDHM C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CS1 ZINC001603864393 1070124855 /nfs/dbraw/zinc/12/48/55/1070124855.db2.gz YOZNFMSBMWZSCA-JGVFFNPUSA-N -1 3 306.351 2.081 20 5 DEBDHM C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CS1 ZINC001603864393 1070124857 /nfs/dbraw/zinc/12/48/57/1070124857.db2.gz YOZNFMSBMWZSCA-JGVFFNPUSA-N -1 3 306.351 2.081 20 5 DEBDHM C[C@@H]1CCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@H]1C ZINC001603909334 1070146284 /nfs/dbraw/zinc/14/62/84/1070146284.db2.gz LMGQOBHVIIHBNA-BDAKNGLRSA-N -1 3 320.328 2.396 20 5 DEBDHM C[C@@H]1CCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@@H]1C ZINC001603909334 1070146288 /nfs/dbraw/zinc/14/62/88/1070146288.db2.gz LMGQOBHVIIHBNA-BDAKNGLRSA-N -1 3 320.328 2.396 20 5 DEBDHM C[C@@H]1CC[C@@](CO)(N(C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001604699634 1070470591 /nfs/dbraw/zinc/47/05/91/1070470591.db2.gz AXXBBNZHLSYFNM-BDJLRTHQSA-N -1 3 322.361 2.276 20 5 DEBDHM COCC(C)(C)CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605043713 1070594040 /nfs/dbraw/zinc/59/40/40/1070594040.db2.gz CVVIXNGNCHPHCT-UHFFFAOYSA-N -1 3 320.353 2.250 20 5 DEBDHM COCC(C)(C)CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605043713 1070594053 /nfs/dbraw/zinc/59/40/53/1070594053.db2.gz CVVIXNGNCHPHCT-UHFFFAOYSA-N -1 3 320.353 2.250 20 5 DEBDHM Cc1cc(N[C@@H]2CS[C@H](C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605723034 1070875473 /nfs/dbraw/zinc/87/54/73/1070875473.db2.gz GKQDBMOIEVQVSW-BDAKNGLRSA-N -1 3 320.378 2.389 20 5 DEBDHM Cc1cc(N[C@@H]2CS[C@H](C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605723034 1070875488 /nfs/dbraw/zinc/87/54/88/1070875488.db2.gz GKQDBMOIEVQVSW-BDAKNGLRSA-N -1 3 320.378 2.389 20 5 DEBDHM Cc1ccc(CNc2ccc([N+](=O)[O-])nc2)cc1-c1nnn[n-]1 ZINC001605856812 1070947487 /nfs/dbraw/zinc/94/74/87/1070947487.db2.gz YHCDXTKYPAWOTO-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1ccc(CNc2ccc([N+](=O)[O-])nc2)cc1-c1nn[n-]n1 ZINC001605856812 1070947499 /nfs/dbraw/zinc/94/74/99/1070947499.db2.gz YHCDXTKYPAWOTO-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM O=[N+]([O-])c1cc(NCC[C@H]2CCCS2)ccc1-c1nnn[n-]1 ZINC001607078933 1071287995 /nfs/dbraw/zinc/28/79/95/1071287995.db2.gz CCASLHFNYGUKQU-SNVBAGLBSA-N -1 3 320.378 2.473 20 5 DEBDHM O=c1[n-]cnc2c1CN(c1ccc3cnccc3c1[N+](=O)[O-])CC2 ZINC001458327354 1058056861 /nfs/dbraw/zinc/05/68/61/1058056861.db2.gz ZYUIZKLSAJNCTN-UHFFFAOYSA-N -1 3 323.312 2.201 20 5 DEBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(CC(C)C)co2)n1 ZINC001462836610 1058904680 /nfs/dbraw/zinc/90/46/80/1058904680.db2.gz OAOFYUOJHKGTAZ-UHFFFAOYSA-N -1 3 307.310 2.250 20 5 DEBDHM COc1cc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc(OC)c1O ZINC001472689685 1060569532 /nfs/dbraw/zinc/56/95/32/1060569532.db2.gz VGBVYNQRYNTSMR-UHFFFAOYSA-N -1 3 321.289 2.030 20 5 DEBDHM CCc1noc([C@@H]2CC[C@@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)n1 ZINC001613023379 1078115569 /nfs/dbraw/zinc/11/55/69/1078115569.db2.gz YLFLVKPCQXFFRZ-RKDXNWHRSA-N -1 3 319.321 2.389 20 5 DEBDHM Cc1c(CC(=O)[N-]OCc2ccccn2)cccc1[N+](=O)[O-] ZINC001556952566 1075050840 /nfs/dbraw/zinc/05/08/40/1075050840.db2.gz SGYUKESKSFSLKL-UHFFFAOYSA-N -1 3 301.302 2.089 20 5 DEBDHM O=c1ccnc([C@H]2CC[C@H](Nc3ncc([N+](=O)[O-])cn3)CC2)[n-]1 ZINC001559300926 1075120078 /nfs/dbraw/zinc/12/00/78/1075120078.db2.gz IAVOUIRJQKXFJQ-MGCOHNPYSA-N -1 3 316.321 2.019 20 5 DEBDHM C[C@@H](COCC1CC1)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001589885247 1076524141 /nfs/dbraw/zinc/52/41/41/1076524141.db2.gz MXEHOBLQYPLMAS-VIFPVBQESA-N -1 3 318.337 2.002 20 5 DEBDHM CC1(C)CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590090884 1076560591 /nfs/dbraw/zinc/56/05/91/1076560591.db2.gz UBWHIQBHIDFPPY-SECBINFHSA-N -1 3 303.326 2.161 20 5 DEBDHM CC1(C)CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590090884 1076560594 /nfs/dbraw/zinc/56/05/94/1076560594.db2.gz UBWHIQBHIDFPPY-SECBINFHSA-N -1 3 303.326 2.161 20 5 DEBDHM CC1(C)CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)[C@@H]1C1CC1 ZINC001590105663 1076566245 /nfs/dbraw/zinc/56/62/45/1076566245.db2.gz GLEKTKZJXGUCGK-CYBMUJFWSA-N -1 3 314.349 2.400 20 5 DEBDHM C[C@@]1(F)CCCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001590141093 1076573656 /nfs/dbraw/zinc/57/36/56/1076573656.db2.gz ABKKXWAZAMUTRM-CYBMUJFWSA-N -1 3 306.301 2.103 20 5 DEBDHM C[C@@]1(F)CCCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001590141093 1076573658 /nfs/dbraw/zinc/57/36/58/1076573658.db2.gz ABKKXWAZAMUTRM-CYBMUJFWSA-N -1 3 306.301 2.103 20 5 DEBDHM C[C@@H]1CCC[C@H](Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H]1C ZINC001590251243 1076599206 /nfs/dbraw/zinc/59/92/06/1076599206.db2.gz HGFUTWUIAAOIDZ-KKZNHRDASA-N -1 3 317.353 2.407 20 5 DEBDHM C[C@@H]1CCC[C@H](Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@@H]1C ZINC001590251243 1076599211 /nfs/dbraw/zinc/59/92/11/1076599211.db2.gz HGFUTWUIAAOIDZ-KKZNHRDASA-N -1 3 317.353 2.407 20 5 DEBDHM C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCS1 ZINC001590274046 1076605747 /nfs/dbraw/zinc/60/57/47/1076605747.db2.gz FRRLVIXJUARDFK-SECBINFHSA-N -1 3 320.378 2.107 20 5 DEBDHM C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCS1 ZINC001590274046 1076605748 /nfs/dbraw/zinc/60/57/48/1076605748.db2.gz FRRLVIXJUARDFK-SECBINFHSA-N -1 3 320.378 2.107 20 5 DEBDHM CC[C@](C)(CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-])OC ZINC001590382656 1076618736 /nfs/dbraw/zinc/61/87/36/1076618736.db2.gz SPZVRXMNRLEWHU-CYBMUJFWSA-N -1 3 324.316 2.141 20 5 DEBDHM CC[C@](C)(CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-])OC ZINC001590382656 1076618737 /nfs/dbraw/zinc/61/87/37/1076618737.db2.gz SPZVRXMNRLEWHU-CYBMUJFWSA-N -1 3 324.316 2.141 20 5 DEBDHM CC[C@@H](C)CC(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590406434 1076621798 /nfs/dbraw/zinc/62/17/98/1076621798.db2.gz OENSRFRRHFUDBV-SECBINFHSA-N -1 3 319.321 2.254 20 5 DEBDHM CC[C@@H](C)CC(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590406434 1076621799 /nfs/dbraw/zinc/62/17/99/1076621799.db2.gz OENSRFRRHFUDBV-SECBINFHSA-N -1 3 319.321 2.254 20 5 DEBDHM CCn1ncc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1C ZINC001590969938 1076698964 /nfs/dbraw/zinc/69/89/64/1076698964.db2.gz LFKIKGCTNPREGL-UHFFFAOYSA-N -1 3 314.309 2.043 20 5 DEBDHM CCn1ncc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1C ZINC001590969938 1076698966 /nfs/dbraw/zinc/69/89/66/1076698966.db2.gz LFKIKGCTNPREGL-UHFFFAOYSA-N -1 3 314.309 2.043 20 5 DEBDHM CN(CCOC(C)(C)C)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591108666 1076708622 /nfs/dbraw/zinc/70/86/22/1076708622.db2.gz RZYNJWRYDFZRLH-UHFFFAOYSA-N -1 3 320.353 2.026 20 5 DEBDHM CN(CCOC(C)(C)C)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591108666 1076708626 /nfs/dbraw/zinc/70/86/26/1076708626.db2.gz RZYNJWRYDFZRLH-UHFFFAOYSA-N -1 3 320.353 2.026 20 5 DEBDHM C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@H](C)C1 ZINC001591735555 1076781240 /nfs/dbraw/zinc/78/12/40/1076781240.db2.gz VNXHOODSDROFCI-NXEZZACHSA-N -1 3 302.338 2.400 20 5 DEBDHM C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@H](C)C1 ZINC001591735555 1076781241 /nfs/dbraw/zinc/78/12/41/1076781241.db2.gz VNXHOODSDROFCI-NXEZZACHSA-N -1 3 302.338 2.400 20 5 DEBDHM Cc1c(CNc2ncccc2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591818120 1076788154 /nfs/dbraw/zinc/78/81/54/1076788154.db2.gz FGIBESCVKQERFQ-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1c(CNc2ncccc2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591818120 1076788156 /nfs/dbraw/zinc/78/81/56/1076788156.db2.gz FGIBESCVKQERFQ-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1noc(CSc2ccccc2-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592462739 1076915801 /nfs/dbraw/zinc/91/58/01/1076915801.db2.gz UGJIAZPZTDQAHF-UHFFFAOYSA-N -1 3 318.318 2.364 20 5 DEBDHM Cc1noc(CSc2ccccc2-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592462739 1076915803 /nfs/dbraw/zinc/91/58/03/1076915803.db2.gz UGJIAZPZTDQAHF-UHFFFAOYSA-N -1 3 318.318 2.364 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CC(CC2CC2)C1 ZINC001593474467 1077008543 /nfs/dbraw/zinc/00/85/43/1077008543.db2.gz KFGYBEIVVCLASD-UHFFFAOYSA-N -1 3 300.322 2.011 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CC(CC2CC2)C1 ZINC001593474467 1077008547 /nfs/dbraw/zinc/00/85/47/1077008547.db2.gz KFGYBEIVVCLASD-UHFFFAOYSA-N -1 3 300.322 2.011 20 5 DEBDHM CN(Cc1ccoc1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609280998 1077824802 /nfs/dbraw/zinc/82/48/02/1077824802.db2.gz SQISKMLQYUFWCM-UHFFFAOYSA-N -1 3 300.278 2.004 20 5 DEBDHM CN(Cc1ccoc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609280998 1077824810 /nfs/dbraw/zinc/82/48/10/1077824810.db2.gz SQISKMLQYUFWCM-UHFFFAOYSA-N -1 3 300.278 2.004 20 5 DEBDHM Cc1cc(NC[C@H]2CCC=CO2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609409243 1077853190 /nfs/dbraw/zinc/85/31/90/1077853190.db2.gz CZYFNZFYOURWPW-SNVBAGLBSA-N -1 3 316.321 2.188 20 5 DEBDHM Cc1cc(NC[C@H]2CCC=CO2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609409243 1077853193 /nfs/dbraw/zinc/85/31/93/1077853193.db2.gz CZYFNZFYOURWPW-SNVBAGLBSA-N -1 3 316.321 2.188 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@H]1CCC[C@@H](F)C1 ZINC001609602795 1077882363 /nfs/dbraw/zinc/88/23/63/1077882363.db2.gz IPUDLBFFOULNGC-BDAKNGLRSA-N -1 3 306.301 2.468 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@H]1CCC[C@@H](F)C1 ZINC001609602795 1077882365 /nfs/dbraw/zinc/88/23/65/1077882365.db2.gz IPUDLBFFOULNGC-BDAKNGLRSA-N -1 3 306.301 2.468 20 5 DEBDHM COC(=O)c1cccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001651624599 1079821726 /nfs/dbraw/zinc/82/17/26/1079821726.db2.gz GKZBOOPNJCQYEC-UHFFFAOYSA-N -1 3 303.274 2.094 20 5 DEBDHM O=c1[n-]ccc(NCc2c3nc[nH]c3ccc2F)c1[N+](=O)[O-] ZINC001655769932 1080017142 /nfs/dbraw/zinc/01/71/42/1080017142.db2.gz KPBXBAKHOMQSOK-UHFFFAOYSA-N -1 3 303.253 2.323 20 5 DEBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nnc(Cc2ccccc2F)o1 ZINC001255839252 1143810061 /nfs/dbraw/zinc/81/00/61/1143810061.db2.gz OLEYAVHKJSYARC-UHFFFAOYSA-N -1 3 316.248 2.475 20 5 DEBDHM Cn1cncc1C1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC001308165770 1147450791 /nfs/dbraw/zinc/45/07/91/1147450791.db2.gz DKGRFCRIPNOEPK-UHFFFAOYSA-N -1 3 316.361 2.414 20 5 DEBDHM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@@H]1CN1CCCC1 ZINC000181942716 199366575 /nfs/dbraw/zinc/36/65/75/199366575.db2.gz JGEJVPXVEKGEMU-CYBMUJFWSA-N -1 3 319.361 2.001 20 5 DEBDHM CSc1nnc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)[n-]1 ZINC000617714011 363229423 /nfs/dbraw/zinc/22/94/23/363229423.db2.gz FCDAZDSZWNPPOP-ZETCQYMHSA-N -1 3 307.335 2.177 20 5 DEBDHM CSc1n[n-]c(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000617714011 363229428 /nfs/dbraw/zinc/22/94/28/363229428.db2.gz FCDAZDSZWNPPOP-ZETCQYMHSA-N -1 3 307.335 2.177 20 5 DEBDHM CSc1nc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)n[n-]1 ZINC000617714011 363229433 /nfs/dbraw/zinc/22/94/33/363229433.db2.gz FCDAZDSZWNPPOP-ZETCQYMHSA-N -1 3 307.335 2.177 20 5 DEBDHM Cc1ccc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cn1 ZINC000056086514 354522484 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CCOC(=O)c1cc(NC(=O)c2c(C)cccc2[N+](=O)[O-])n[n-]1 ZINC000192454698 356220909 /nfs/dbraw/zinc/22/09/09/356220909.db2.gz SNBUMWDOKHLYSV-UHFFFAOYSA-N -1 3 318.289 2.055 20 5 DEBDHM CCOC(=O)c1cc(NC(=O)c2c(C)cccc2[N+](=O)[O-])[n-]n1 ZINC000192454698 356220912 /nfs/dbraw/zinc/22/09/12/356220912.db2.gz SNBUMWDOKHLYSV-UHFFFAOYSA-N -1 3 318.289 2.055 20 5 DEBDHM Cc1cc(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)no1 ZINC000578123636 356765460 /nfs/dbraw/zinc/76/54/60/356765460.db2.gz KWGNBRGFPOGJNS-UHFFFAOYSA-N -1 3 319.273 2.305 20 5 DEBDHM Cc1cc(N2CC[C@@H]3CCN(C)C[C@@H]32)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000581729465 357240006 /nfs/dbraw/zinc/24/00/06/357240006.db2.gz YNWFSDXJZXZXEE-FZMZJTMJSA-N -1 3 319.361 2.132 20 5 DEBDHM Cc1cc(N2CC[C@@H]3CCN(C)C[C@H]32)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000581729467 357240281 /nfs/dbraw/zinc/24/02/81/357240281.db2.gz YNWFSDXJZXZXEE-SMDDNHRTSA-N -1 3 319.361 2.132 20 5 DEBDHM Cc1cc(=O)[n-]c(C=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000588307073 357406551 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DEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC=CCC2)c(F)c1 ZINC000076308148 401790540 /nfs/dbraw/zinc/79/05/40/401790540.db2.gz ZIOOUDYUMVOPSZ-VIFPVBQESA-N -1 3 300.311 2.121 20 5 DEBDHM COc1ccc([O-])c(C(=O)NCc2ccccc2[N+](=O)[O-])c1 ZINC000125861210 402254121 /nfs/dbraw/zinc/25/41/21/402254121.db2.gz SRHPRTZTZIKBTF-UHFFFAOYSA-N -1 3 302.286 2.239 20 5 DEBDHM COc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1F ZINC000186957827 402474059 /nfs/dbraw/zinc/47/40/59/402474059.db2.gz WESVZFICMFPPSQ-UHFFFAOYSA-N -1 3 307.237 2.095 20 5 DEBDHM C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000272144242 402902545 /nfs/dbraw/zinc/90/25/45/402902545.db2.gz FBHOEASLDIACAB-NSHDSACASA-N -1 3 321.377 2.103 20 5 DEBDHM O=C(NC[C@H]1CCCCN1C1CC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000277599852 403235470 /nfs/dbraw/zinc/23/54/70/403235470.db2.gz UBQPRNWULCEQDB-CYBMUJFWSA-N -1 3 319.361 2.047 20 5 DEBDHM O=C([N-]c1nncn1C1CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000285718738 403364603 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Cc1cc(NC(=O)NCc2cnc(C)[n-]c2=O)ccc1[N+](=O)[O-] ZINC000352909383 404689947 /nfs/dbraw/zinc/68/99/47/404689947.db2.gz AGMNSSQRTXXZPQ-UHFFFAOYSA-N -1 3 317.305 2.029 20 5 DEBDHM CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccc(O)cc1[O-] ZINC000436827661 405147310 /nfs/dbraw/zinc/14/73/10/405147310.db2.gz FGRRASZFZSEHFR-UHFFFAOYSA-N -1 3 316.313 2.321 20 5 DEBDHM CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436812307 405144301 /nfs/dbraw/zinc/14/43/01/405144301.db2.gz LTRJWTOMPAHOAM-AWEZNQCLSA-N -1 3 321.377 2.151 20 5 DEBDHM C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@@H](C)C1 ZINC000436955241 405167294 /nfs/dbraw/zinc/16/72/94/405167294.db2.gz JUJMPWGOQICDLW-NEPJUHHUSA-N -1 3 321.377 2.151 20 5 DEBDHM COC(=O)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)[n-]1 ZINC000431252415 405598023 /nfs/dbraw/zinc/59/80/23/405598023.db2.gz KFEZHPLLBXUELK-UHFFFAOYSA-N -1 3 303.274 2.270 20 5 DEBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](CC)C(F)F ZINC000451081147 406042958 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COc1cc(SCCc2nnn[n-]2)c(Cl)cc1[N+](=O)[O-] ZINC001612513461 1078111086 /nfs/dbraw/zinc/11/10/86/1078111086.db2.gz UVMTZAWEVJLPGX-UHFFFAOYSA-N -1 3 315.742 2.105 20 5 DEBDHM COc1cc(SCCc2nn[n-]n2)c(Cl)cc1[N+](=O)[O-] ZINC001612513461 1078111088 /nfs/dbraw/zinc/11/10/88/1078111088.db2.gz UVMTZAWEVJLPGX-UHFFFAOYSA-N -1 3 315.742 2.105 20 5 DEBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CC2(C)C)c([N+](=O)[O-])s1 ZINC001621777716 1078180491 /nfs/dbraw/zinc/18/04/91/1078180491.db2.gz JFEFMIZEURFOGJ-QMMMGPOBSA-N -1 3 304.393 2.289 20 5 DEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)[N-]OCc1ccccn1 ZINC001629525419 1078319708 /nfs/dbraw/zinc/31/97/08/1078319708.db2.gz FRQNDNXKLVKAIE-UHFFFAOYSA-N -1 3 301.302 2.170 20 5 DEBDHM COc1cc(CN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])ccc1O ZINC001642458521 1078756206 /nfs/dbraw/zinc/75/62/06/1078756206.db2.gz LSXSHGYPACOMQQ-UHFFFAOYSA-N -1 3 305.290 2.046 20 5 DEBDHM C[C@@H]1OC[C@]2(CC[C@H](CNc3cc[n-]c(=O)c3[N+](=O)[O-])O2)[C@H]1C ZINC001643199986 1078789976 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DEBDHM CC1(C)CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1(C)C ZINC001590106134 1076566236 /nfs/dbraw/zinc/56/62/36/1076566236.db2.gz NXXYUSBYGDWGEX-UHFFFAOYSA-N -1 3 302.338 2.400 20 5 DEBDHM C[C@@H]1CCCCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590255154 1076601020 /nfs/dbraw/zinc/60/10/20/1076601020.db2.gz QULJLGLNMAVHLP-SNVBAGLBSA-N -1 3 302.338 2.401 20 5 DEBDHM C[C@@H]1CCCCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001590255154 1076601021 /nfs/dbraw/zinc/60/10/21/1076601021.db2.gz QULJLGLNMAVHLP-SNVBAGLBSA-N -1 3 302.338 2.401 20 5 DEBDHM C[C@@H]1SCC[C@H]1Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590338683 1076613326 /nfs/dbraw/zinc/61/33/26/1076613326.db2.gz VMJPIYBGLHSZRL-OIBJUYFYSA-N -1 3 306.351 2.081 20 5 DEBDHM CC[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC001590504395 1076642652 /nfs/dbraw/zinc/64/26/52/1076642652.db2.gz IDQWPNUPSJAZBC-ONGXEEELSA-N -1 3 318.337 2.144 20 5 DEBDHM CC[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC001590504395 1076642653 /nfs/dbraw/zinc/64/26/53/1076642653.db2.gz IDQWPNUPSJAZBC-ONGXEEELSA-N -1 3 318.337 2.144 20 5 DEBDHM CC[C@@H]1CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCS1 ZINC001590523243 1076648027 /nfs/dbraw/zinc/64/80/27/1076648027.db2.gz VYGKHDHSWFUKEV-SECBINFHSA-N -1 3 320.378 2.107 20 5 DEBDHM CC[C@@H]1CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCS1 ZINC001590523243 1076648029 /nfs/dbraw/zinc/64/80/29/1076648029.db2.gz VYGKHDHSWFUKEV-SECBINFHSA-N -1 3 320.378 2.107 20 5 DEBDHM CN(C[Si](C)(C)C)c1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591125246 1076710071 /nfs/dbraw/zinc/71/00/71/1076710071.db2.gz BDKQQWBHPAWRQE-UHFFFAOYSA-N -1 3 324.392 2.228 20 5 DEBDHM CN(C[Si](C)(C)C)c1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591125246 1076710073 /nfs/dbraw/zinc/71/00/73/1076710073.db2.gz BDKQQWBHPAWRQE-UHFFFAOYSA-N -1 3 324.392 2.228 20 5 DEBDHM COC[C@H](C)SCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591374234 1076736237 /nfs/dbraw/zinc/73/62/37/1076736237.db2.gz DKFLXWXKRDADSW-QMMMGPOBSA-N -1 3 309.351 2.043 20 5 DEBDHM COC[C@H](C)SCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591374234 1076736242 /nfs/dbraw/zinc/73/62/42/1076736242.db2.gz DKFLXWXKRDADSW-QMMMGPOBSA-N -1 3 309.351 2.043 20 5 DEBDHM COc1ccc(C=Cc2cc(-c3nnn[n-]3)ccn2)cc1[N+](=O)[O-] ZINC001591582847 1076761199 /nfs/dbraw/zinc/76/11/99/1076761199.db2.gz QEVSNJMTBDGOEO-DUXPYHPUSA-N -1 3 324.300 2.349 20 5 DEBDHM COc1ccc(C=Cc2cc(-c3nn[n-]n3)ccn2)cc1[N+](=O)[O-] ZINC001591582847 1076761202 /nfs/dbraw/zinc/76/12/02/1076761202.db2.gz QEVSNJMTBDGOEO-DUXPYHPUSA-N -1 3 324.300 2.349 20 5 DEBDHM Cc1cc(Oc2ncc(-c3nnn[n-]3)cc2F)ccc1[N+](=O)[O-] ZINC001592063865 1076842415 /nfs/dbraw/zinc/84/24/15/1076842415.db2.gz XYOFOECYBHJBIM-UHFFFAOYSA-N -1 3 316.252 2.410 20 5 DEBDHM Cc1cc(Oc2ncc(-c3nn[n-]n3)cc2F)ccc1[N+](=O)[O-] ZINC001592063865 1076842419 /nfs/dbraw/zinc/84/24/19/1076842419.db2.gz XYOFOECYBHJBIM-UHFFFAOYSA-N -1 3 316.252 2.410 20 5 DEBDHM Cc1ccc(CNc2ncc([N+](=O)[O-])s2)cc1-c1nnn[n-]1 ZINC001592167166 1076865241 /nfs/dbraw/zinc/86/52/41/1076865241.db2.gz DOTLKPDSFMIYCK-UHFFFAOYSA-N -1 3 317.334 2.152 20 5 DEBDHM Cc1ccc(CNc2ncc([N+](=O)[O-])s2)cc1-c1nn[n-]n1 ZINC001592167166 1076865246 /nfs/dbraw/zinc/86/52/46/1076865246.db2.gz DOTLKPDSFMIYCK-UHFFFAOYSA-N -1 3 317.334 2.152 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCCCc1ccco1 ZINC001593476068 1077008069 /nfs/dbraw/zinc/00/80/69/1077008069.db2.gz UUDLXQIWSBSYRG-UHFFFAOYSA-N -1 3 314.305 2.413 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCCCc1ccco1 ZINC001593476068 1077008074 /nfs/dbraw/zinc/00/80/74/1077008074.db2.gz UUDLXQIWSBSYRG-UHFFFAOYSA-N -1 3 314.305 2.413 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1Cc2ccccc2CO1 ZINC001593475537 1077008674 /nfs/dbraw/zinc/00/86/74/1077008674.db2.gz QJVMVGQRKXOADB-UHFFFAOYSA-N -1 3 324.300 2.227 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1Cc2ccccc2CO1 ZINC001593475537 1077008678 /nfs/dbraw/zinc/00/86/78/1077008678.db2.gz QJVMVGQRKXOADB-UHFFFAOYSA-N -1 3 324.300 2.227 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCC=C(Cl)C1 ZINC001593475011 1077009070 /nfs/dbraw/zinc/00/90/70/1077009070.db2.gz NSPGQAUGVQWUMO-UHFFFAOYSA-N -1 3 306.713 2.108 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCC=C(Cl)C1 ZINC001593475011 1077009074 /nfs/dbraw/zinc/00/90/74/1077009074.db2.gz NSPGQAUGVQWUMO-UHFFFAOYSA-N -1 3 306.713 2.108 20 5 DEBDHM O=[N+]([O-])c1cnc(Oc2ccc(-c3nnn[n-]3)cc2F)s1 ZINC001593488104 1077011623 /nfs/dbraw/zinc/01/16/23/1077011623.db2.gz XZSIMWKMSOCWIK-UHFFFAOYSA-N -1 3 308.254 2.163 20 5 DEBDHM O=[N+]([O-])c1cnc(Oc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC001593488104 1077011628 /nfs/dbraw/zinc/01/16/28/1077011628.db2.gz XZSIMWKMSOCWIK-UHFFFAOYSA-N -1 3 308.254 2.163 20 5 DEBDHM CC1(C)SC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609147898 1077773893 /nfs/dbraw/zinc/77/38/93/1077773893.db2.gz SIXJDJVWDDUTOF-SNVBAGLBSA-N -1 3 306.351 2.081 20 5 DEBDHM CC1(C)SC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609147898 1077773897 /nfs/dbraw/zinc/77/38/97/1077773897.db2.gz SIXJDJVWDDUTOF-SNVBAGLBSA-N -1 3 306.351 2.081 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCC1(C2CC2)CC1 ZINC001609601114 1077881026 /nfs/dbraw/zinc/88/10/26/1077881026.db2.gz ARRPWDMICTVASK-UHFFFAOYSA-N -1 3 300.322 2.377 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCC1(C2CC2)CC1 ZINC001609601114 1077881030 /nfs/dbraw/zinc/88/10/30/1077881030.db2.gz ARRPWDMICTVASK-UHFFFAOYSA-N -1 3 300.322 2.377 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CN1CCC(F)(F)CC1 ZINC001609599829 1077881119 /nfs/dbraw/zinc/88/11/19/1077881119.db2.gz CRCHMZORLHCBFX-UHFFFAOYSA-N -1 3 324.291 2.006 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CN1CCC(F)(F)CC1 ZINC001609599829 1077881120 /nfs/dbraw/zinc/88/11/20/1077881120.db2.gz CRCHMZORLHCBFX-UHFFFAOYSA-N -1 3 324.291 2.006 20 5 DEBDHM CC[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001655871982 1080022983 /nfs/dbraw/zinc/02/29/83/1080022983.db2.gz ANSXNSLMSUIPCR-SECBINFHSA-N -1 3 311.338 2.475 20 5 DEBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2C(C)C)c(F)cc1[N+](=O)[O-] ZINC001662402047 1080605035 /nfs/dbraw/zinc/60/50/35/1080605035.db2.gz YDLCDXQNRZACLR-GXSJLCMTSA-N -1 3 316.354 2.365 20 5 DEBDHM COc1ccccc1-c1noc(-c2cc([N+](=O)[O-])c[n-]c2=O)n1 ZINC001212935726 1087888714 /nfs/dbraw/zinc/88/87/14/1087888714.db2.gz JWIYGXAGOSYVQT-UHFFFAOYSA-N -1 3 314.257 2.421 20 5 DEBDHM Cn1cnc([N+](=O)[O-])c1-c1nc2c([n-]1)c(F)c(F)c(F)c2F ZINC001251785352 1142511344 /nfs/dbraw/zinc/51/13/44/1142511344.db2.gz ZRSSBCYWJSWWQK-UHFFFAOYSA-N -1 3 315.186 2.428 20 5 DEBDHM CCc1[nH]nc(C(=O)[N-]c2ccnc3ccncc23)c1[N+](=O)[O-] ZINC000444272367 529469675 /nfs/dbraw/zinc/46/96/75/529469675.db2.gz WGFZHULPMIPPFQ-UHFFFAOYSA-N -1 3 312.289 2.076 20 5 DEBDHM CSC(C)(C)C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000173236378 198198674 /nfs/dbraw/zinc/19/86/74/198198674.db2.gz HXXGQIMMOWCSFO-UHFFFAOYSA-N -1 3 318.420 2.323 20 5 DEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccco2)cc1C ZINC000060496007 354616568 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20 5 DEBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]CC1CCC1 ZINC000594747030 358332423 /nfs/dbraw/zinc/33/24/23/358332423.db2.gz BGYIAUHTACAHEA-UHFFFAOYSA-N -1 3 321.358 2.221 20 5 DEBDHM O=c1[n-]ccc(NCc2ccnc(N3CCCC3)c2)c1[N+](=O)[O-] ZINC000596066340 358602182 /nfs/dbraw/zinc/60/21/82/358602182.db2.gz CYRUHUDBGLQWCF-UHFFFAOYSA-N -1 3 315.333 2.303 20 5 DEBDHM COc1ccc(COCCNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596182350 358632939 /nfs/dbraw/zinc/63/29/39/358632939.db2.gz NUFWNKBOCXYHLK-UHFFFAOYSA-N -1 3 319.317 2.333 20 5 DEBDHM COc1cccc2c1CCN(c1cc[n-]c(=O)c1[N+](=O)[O-])C2 ZINC000596188843 358635301 /nfs/dbraw/zinc/63/53/01/358635301.db2.gz CUDWIDCPGQCHHY-UHFFFAOYSA-N -1 3 301.302 2.267 20 5 DEBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000600673423 359795800 /nfs/dbraw/zinc/79/58/00/359795800.db2.gz FVHKLTKMOOOBMZ-GFCCVEGCSA-N -1 3 321.377 2.137 20 5 DEBDHM CNc1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1[N+](=O)[O-] ZINC000610011638 361352679 /nfs/dbraw/zinc/35/26/79/361352679.db2.gz KDGHOFKTACFPDZ-UHFFFAOYSA-N -1 3 319.292 2.411 20 5 DEBDHM CC(C)(C)N1CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000610877253 361484201 /nfs/dbraw/zinc/48/42/01/361484201.db2.gz OOVVLRLABZRNFD-UHFFFAOYSA-N -1 3 321.377 2.247 20 5 DEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CCCC2)c(F)c1 ZINC000049001856 132485202 /nfs/dbraw/zinc/48/52/02/132485202.db2.gz SHKHCAVMVXILON-UHFFFAOYSA-N -1 3 302.327 2.202 20 5 DEBDHM Cc1cc2n[nH]cc2cc1NC(=O)c1cc([N+](=O)[O-])cnc1[O-] ZINC000362344960 133224895 /nfs/dbraw/zinc/22/48/95/133224895.db2.gz BNIBFLREDMPLLY-UHFFFAOYSA-N -1 3 313.273 2.132 20 5 DEBDHM Cc1cc2n[nH]cc2cc1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000362344960 133224896 /nfs/dbraw/zinc/22/48/96/133224896.db2.gz BNIBFLREDMPLLY-UHFFFAOYSA-N -1 3 313.273 2.132 20 5 DEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CC[C@@H](F)C2)cc1C ZINC000344961183 404473687 /nfs/dbraw/zinc/47/36/87/404473687.db2.gz VLUIRHLCNZYPEB-MNOVXSKESA-N -1 3 316.354 2.381 20 5 DEBDHM 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ZINC001604083888 1070202616 /nfs/dbraw/zinc/20/26/16/1070202616.db2.gz AKGWQCNDVVSHKX-UHFFFAOYSA-N -1 3 302.338 2.401 20 5 DEBDHM CCN(CCC1CC1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604294066 1070315476 /nfs/dbraw/zinc/31/54/76/1070315476.db2.gz UNIHRTAGXSMPII-UHFFFAOYSA-N -1 3 302.338 2.401 20 5 DEBDHM CCN(CCC1CC1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604294066 1070315495 /nfs/dbraw/zinc/31/54/95/1070315495.db2.gz UNIHRTAGXSMPII-UHFFFAOYSA-N -1 3 302.338 2.401 20 5 DEBDHM COCCCCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001605088588 1070608802 /nfs/dbraw/zinc/60/88/02/1070608802.db2.gz NBZBOKHWMHHDAM-UHFFFAOYSA-N -1 3 306.326 2.004 20 5 DEBDHM COCCCCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001605088588 1070608805 /nfs/dbraw/zinc/60/88/05/1070608805.db2.gz NBZBOKHWMHHDAM-UHFFFAOYSA-N -1 3 306.326 2.004 20 5 DEBDHM Cc1ccc(Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)cc1 ZINC001605875808 1070958661 /nfs/dbraw/zinc/95/86/61/1070958661.db2.gz OSBDERRJUPXXTO-UHFFFAOYSA-N -1 3 311.305 2.409 20 5 DEBDHM Cc1ccc(Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)cc1 ZINC001605875808 1070958669 /nfs/dbraw/zinc/95/86/69/1070958669.db2.gz OSBDERRJUPXXTO-UHFFFAOYSA-N -1 3 311.305 2.409 20 5 DEBDHM O=c1[n-]ccc(NC[C@H](O)c2c(F)cccc2F)c1[N+](=O)[O-] ZINC001458588392 1058073143 /nfs/dbraw/zinc/07/31/43/1058073143.db2.gz CLBIABHKPSFFKY-JTQLQIEISA-N -1 3 311.244 2.119 20 5 DEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C/C=C\Cl)c(Cl)c1 ZINC001464755027 1059197015 /nfs/dbraw/zinc/19/70/15/1059197015.db2.gz XVMMBQRKMIIFEY-RJRFIUFISA-N -1 3 311.146 2.279 20 5 DEBDHM CCc1[nH]nc(C(=O)Nc2ccc([O-])cc2Cl)c1[N+](=O)[O-] ZINC001632723074 1078389924 /nfs/dbraw/zinc/38/99/24/1078389924.db2.gz CDMSGOROXWPASI-UHFFFAOYSA-N -1 3 310.697 2.492 20 5 DEBDHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])s1 ZINC001557790740 1075075918 /nfs/dbraw/zinc/07/59/18/1075075918.db2.gz LMKZOYSISADANE-UHFFFAOYSA-N -1 3 316.302 2.089 20 5 DEBDHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])s1 ZINC001557790740 1075075922 /nfs/dbraw/zinc/07/59/22/1075075922.db2.gz LMKZOYSISADANE-UHFFFAOYSA-N -1 3 316.302 2.089 20 5 DEBDHM Cc1noc(C(C)C)c1[N-]C(=O)c1cc([N+](=O)[O-])cnc1N ZINC001558433795 1075093667 /nfs/dbraw/zinc/09/36/67/1075093667.db2.gz AWKIZXCGWJTTHP-UHFFFAOYSA-N -1 3 305.294 2.244 20 5 DEBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CC=CCC2)c(F)cc1[N+](=O)[O-] ZINC001561275650 1075152637 /nfs/dbraw/zinc/15/26/37/1075152637.db2.gz YSFUPATWUZXVLW-JTQLQIEISA-N -1 3 314.338 2.429 20 5 DEBDHM O=C(CCc1cc(F)ccc1[N+](=O)[O-])[N-]OCc1cccnc1 ZINC001566547893 1075277991 /nfs/dbraw/zinc/27/79/91/1075277991.db2.gz KVPQXHSQAHOFEW-UHFFFAOYSA-N -1 3 319.292 2.310 20 5 DEBDHM C[C@]1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCCCO1 ZINC001590134407 1076570701 /nfs/dbraw/zinc/57/07/01/1076570701.db2.gz YMESJZHVDWAKLX-CQSZACIVSA-N -1 3 318.337 2.146 20 5 DEBDHM C[C@]1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCCCO1 ZINC001590134407 1076570704 /nfs/dbraw/zinc/57/07/04/1076570704.db2.gz YMESJZHVDWAKLX-CQSZACIVSA-N -1 3 318.337 2.146 20 5 DEBDHM C[C@]1(F)CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590141179 1076572909 /nfs/dbraw/zinc/57/29/09/1076572909.db2.gz CPUAOTYJFJGMDN-ZDUSSCGKSA-N -1 3 306.301 2.103 20 5 DEBDHM C[C@]1(F)CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590141179 1076572914 /nfs/dbraw/zinc/57/29/14/1076572914.db2.gz CPUAOTYJFJGMDN-ZDUSSCGKSA-N -1 3 306.301 2.103 20 5 DEBDHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)[C@@H](C)[C@H]1C ZINC001590314906 1076610226 /nfs/dbraw/zinc/61/02/26/1076610226.db2.gz SYUGHYHBQKHLNG-UTLUCORTSA-N -1 3 302.338 2.256 20 5 DEBDHM C[C@H]1OCC[C@H]1SCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590338947 1076613607 /nfs/dbraw/zinc/61/36/07/1076613607.db2.gz WCTVRFBFJXSRLS-PRHODGIISA-N -1 3 321.362 2.186 20 5 DEBDHM C[C@H]1OCC[C@H]1SCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590338947 1076613609 /nfs/dbraw/zinc/61/36/09/1076613609.db2.gz WCTVRFBFJXSRLS-PRHODGIISA-N -1 3 321.362 2.186 20 5 DEBDHM CO[C@@H](CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])C(C)(C)C ZINC001591328459 1076724014 /nfs/dbraw/zinc/72/40/14/1076724014.db2.gz FLMJVYINVYFQHC-LBPRGKRZSA-N -1 3 320.353 2.248 20 5 DEBDHM CO[C@@H](CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])C(C)(C)C ZINC001591328459 1076724015 /nfs/dbraw/zinc/72/40/15/1076724015.db2.gz FLMJVYINVYFQHC-LBPRGKRZSA-N -1 3 320.353 2.248 20 5 DEBDHM COCC1(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCC1 ZINC001591389627 1076739074 /nfs/dbraw/zinc/73/90/74/1076739074.db2.gz POEBJASLIDYYJI-UHFFFAOYSA-N -1 3 318.337 2.004 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CSC1=NCCS1 ZINC001593467533 1077006386 /nfs/dbraw/zinc/00/63/86/1077006386.db2.gz AXOZPVVVCFORLK-UHFFFAOYSA-N -1 3 322.375 2.111 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CSC1=NCCS1 ZINC001593467533 1077006391 /nfs/dbraw/zinc/00/63/91/1077006391.db2.gz AXOZPVVVCFORLK-UHFFFAOYSA-N -1 3 322.375 2.111 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CC[C@@H](C2CCC2)C1 ZINC001593476430 1077008891 /nfs/dbraw/zinc/00/88/91/1077008891.db2.gz VIHBGILWDNUFCI-GFCCVEGCSA-N -1 3 314.349 2.401 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CC[C@@H](C2CCC2)C1 ZINC001593476430 1077008896 /nfs/dbraw/zinc/00/88/96/1077008896.db2.gz VIHBGILWDNUFCI-GFCCVEGCSA-N -1 3 314.349 2.401 20 5 DEBDHM O=[N+]([O-])c1ccccc1NCCc1ccc(-c2nnn[n-]2)cc1 ZINC001593487522 1077011523 /nfs/dbraw/zinc/01/15/23/1077011523.db2.gz ZITZCNLMSSVTSR-UHFFFAOYSA-N -1 3 310.317 2.430 20 5 DEBDHM O=[N+]([O-])c1ccccc1NCCc1ccc(-c2nn[n-]n2)cc1 ZINC001593487522 1077011527 /nfs/dbraw/zinc/01/15/27/1077011527.db2.gz ZITZCNLMSSVTSR-UHFFFAOYSA-N -1 3 310.317 2.430 20 5 DEBDHM C[C@H](Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])c1cccnc1 ZINC001609376009 1077844044 /nfs/dbraw/zinc/84/40/44/1077844044.db2.gz HDKVTQQIVBGLKM-VIFPVBQESA-N -1 3 311.305 2.343 20 5 DEBDHM C[C@H](Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])c1cccnc1 ZINC001609376009 1077844047 /nfs/dbraw/zinc/84/40/47/1077844047.db2.gz HDKVTQQIVBGLKM-VIFPVBQESA-N -1 3 311.305 2.343 20 5 DEBDHM O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001609567583 1077876278 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DEBDHM Cc1nc2c(c(=O)[n-]1)CN(c1ncc([N+](=O)[O-])c3ccccc31)C2 ZINC001655734036 1080015721 /nfs/dbraw/zinc/01/57/21/1080015721.db2.gz YFWQPMPXOILJHJ-UHFFFAOYSA-N -1 3 323.312 2.467 20 5 DEBDHM Cc1nc(N[C@H](C)c2nc(C(F)(F)F)n[n-]2)ncc1[N+](=O)[O-] ZINC001655892430 1080023766 /nfs/dbraw/zinc/02/37/66/1080023766.db2.gz DCDNNVGYQOGXEW-RXMQYKEDSA-N -1 3 317.231 2.003 20 5 DEBDHM CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1OC ZINC001625822035 1081977849 /nfs/dbraw/zinc/97/78/49/1081977849.db2.gz ZQJAMIPIRSCNCP-UHFFFAOYSA-N -1 3 317.301 2.371 20 5 DEBDHM Cn1ncc2c1nc(SCc1csc([N+](=O)[O-])c1)[n-]c2=O ZINC001307372040 1082036848 /nfs/dbraw/zinc/03/68/48/1082036848.db2.gz MEBPGKIFARQAIJ-UHFFFAOYSA-N -1 3 323.359 2.331 20 5 DEBDHM Cc1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc(C)n1 ZINC001319722089 1140688259 /nfs/dbraw/zinc/68/82/59/1140688259.db2.gz PMJDDFCUZKIOFW-UHFFFAOYSA-N -1 3 321.358 2.138 20 5 DEBDHM Cc1ccc(CN[C@@H](CC(F)(F)F)C(=O)[O-])cc1[N+](=O)[O-] ZINC001262157401 1144296876 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COC[C@]1(C(=O)[O-])CCCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000593752588 358137385 /nfs/dbraw/zinc/13/73/85/358137385.db2.gz QVYRJYPSJLEBBZ-LRDDRELGSA-N -1 3 322.361 2.469 20 5 DEBDHM O=C(N[C@H]1CCCN2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1[O-] ZINC000594420461 358264113 /nfs/dbraw/zinc/26/41/13/358264113.db2.gz UVSDBHRJDFGMNW-UONOGXRCSA-N -1 3 319.361 2.047 20 5 DEBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000594858583 358350720 /nfs/dbraw/zinc/35/07/20/358350720.db2.gz WGSJJQYDUAZTHT-NSHDSACASA-N -1 3 314.363 2.070 20 5 DEBDHM COc1nc(C)cc(C)c1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596108117 358612345 /nfs/dbraw/zinc/61/23/45/358612345.db2.gz LJANUNLHESXHGO-UHFFFAOYSA-N -1 3 304.306 2.328 20 5 DEBDHM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(=O)[n-]cn1 ZINC000599149535 359415461 /nfs/dbraw/zinc/41/54/61/359415461.db2.gz OSHGOMHICJFLCD-UHFFFAOYSA-N -1 3 316.317 2.141 20 5 DEBDHM CCCCc1nnc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)s1 ZINC000186857151 200022436 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CSCCCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737181287 599443693 /nfs/dbraw/zinc/44/36/93/599443693.db2.gz IRAIVIAQNYYICJ-UHFFFAOYSA-N -1 3 308.367 2.330 20 5 DEBDHM CS[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821950662 599072761 /nfs/dbraw/zinc/07/27/61/599072761.db2.gz PFQMYQJTKPUZPQ-UWVGGRQHSA-N -1 3 320.378 2.471 20 5 DEBDHM CS[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821950662 599072766 /nfs/dbraw/zinc/07/27/66/599072766.db2.gz PFQMYQJTKPUZPQ-UWVGGRQHSA-N -1 3 320.378 2.471 20 5 DEBDHM CS[C@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821949286 599073148 /nfs/dbraw/zinc/07/31/48/599073148.db2.gz GFWORTKHPRWHAX-SCZZXKLOSA-N -1 3 320.378 2.471 20 5 DEBDHM CS[C@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821949286 599073151 /nfs/dbraw/zinc/07/31/51/599073151.db2.gz GFWORTKHPRWHAX-SCZZXKLOSA-N -1 3 320.378 2.471 20 5 DEBDHM CS[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821950664 599073470 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3 317.353 2.407 20 5 DEBDHM CC(C)N(CCC(=O)[O-])Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000736467959 600608509 /nfs/dbraw/zinc/60/85/09/600608509.db2.gz LFHDVTUIXGGOIF-UHFFFAOYSA-N -1 3 306.322 2.087 20 5 DEBDHM COC[C@@](C)(CC(=O)[O-])NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000831578924 601488769 /nfs/dbraw/zinc/48/87/69/601488769.db2.gz SZIZYPPVQAIZGH-CYBMUJFWSA-N -1 3 316.741 2.218 20 5 DEBDHM C[C@@H](NC(=O)[O-])[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000825266242 604188019 /nfs/dbraw/zinc/18/80/19/604188019.db2.gz UZGWFFBDPMCYON-YPMHNXCESA-N -1 3 307.350 2.463 20 5 DEBDHM CC1(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCOCC1 ZINC000820623344 606609062 /nfs/dbraw/zinc/60/90/62/606609062.db2.gz MUEZGWNBXQGJJE-UHFFFAOYSA-N -1 3 318.337 2.004 20 5 DEBDHM CC1(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCOCC1 ZINC000820623344 606609064 /nfs/dbraw/zinc/60/90/64/606609064.db2.gz MUEZGWNBXQGJJE-UHFFFAOYSA-N -1 3 318.337 2.004 20 5 DEBDHM CC(C)COCCCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000820103034 606644568 /nfs/dbraw/zinc/64/45/68/606644568.db2.gz ODOWUDHBFVDZQQ-UHFFFAOYSA-N -1 3 320.353 2.250 20 5 DEBDHM C[C@H]1CCCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC000820709649 606645560 /nfs/dbraw/zinc/64/55/60/606645560.db2.gz KSNJRQWHYASKDJ-JTQLQIEISA-N -1 3 302.338 2.401 20 5 DEBDHM Cc1ccc(-c2nnn[n-]2)c(NCc2cccc([N+](=O)[O-])c2)n1 ZINC000826276916 608278784 /nfs/dbraw/zinc/27/87/84/608278784.db2.gz CPZPNYKTWSYGIG-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1ccc(-c2nn[n-]n2)c(NCc2cccc([N+](=O)[O-])c2)n1 ZINC000826276916 608278785 /nfs/dbraw/zinc/27/87/85/608278785.db2.gz CPZPNYKTWSYGIG-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)c1ccccc1[N+](=O)[O-] ZINC000824648067 608416193 /nfs/dbraw/zinc/41/61/93/608416193.db2.gz DARLBGOEGUTZSG-SECBINFHSA-N -1 3 311.305 2.343 20 5 DEBDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)c1ccccc1[N+](=O)[O-] ZINC000824648067 608416195 /nfs/dbraw/zinc/41/61/95/608416195.db2.gz DARLBGOEGUTZSG-SECBINFHSA-N -1 3 311.305 2.343 20 5 DEBDHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000837401699 650194818 /nfs/dbraw/zinc/19/48/18/650194818.db2.gz ZVGLEWKPISHPTA-UHFFFAOYSA-N -1 3 315.285 2.325 20 5 DEBDHM O=C([O-])[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000923529974 637232551 /nfs/dbraw/zinc/23/25/51/637232551.db2.gz UBLCNRKLQGFOPN-QWHCGFSZSA-N -1 3 308.309 2.277 20 5 DEBDHM O=c1[n-]ccc(N2CCS[C@@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000895600359 638102513 /nfs/dbraw/zinc/10/25/13/638102513.db2.gz VFMDWOFSSZIVEW-SSDOTTSWSA-N -1 3 309.269 2.180 20 5 DEBDHM Cc1[n-]ncc1S(=O)(=O)Oc1cc([N+](=O)[O-])ccc1Cl ZINC000747283436 638426764 /nfs/dbraw/zinc/42/67/64/638426764.db2.gz WXNWADWWGMADKQ-UHFFFAOYSA-N -1 3 317.710 2.047 20 5 DEBDHM Cc1cc(F)cc(C(=O)OCc2cc(=O)c([O-])co2)c1[N+](=O)[O-] ZINC000752552593 639196453 /nfs/dbraw/zinc/19/64/53/639196453.db2.gz FBNOJABISNWMBN-UHFFFAOYSA-N -1 3 323.232 2.058 20 5 DEBDHM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cc2n(n1)CCCO2 ZINC000762972521 640488464 /nfs/dbraw/zinc/48/84/64/640488464.db2.gz YGTSJRDKQPLLKH-UHFFFAOYSA-N -1 3 324.243 2.104 20 5 DEBDHM Cn1ccc(CN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c1 ZINC000901938214 642835752 /nfs/dbraw/zinc/83/57/52/642835752.db2.gz HQPBZMIMWSXBSS-HNNXBMFYSA-N -1 3 303.318 2.023 20 5 DEBDHM Cc1ccc([O-])c(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)n1 ZINC000790072338 643813437 /nfs/dbraw/zinc/81/34/37/643813437.db2.gz KMXISWGWPYEDGT-UHFFFAOYSA-N -1 3 316.317 2.322 20 5 DEBDHM CCc1ccc(OC(=O)c2c[n-]c(C(=O)OC)c2)c([N+](=O)[O-])c1 ZINC000815952808 647070772 /nfs/dbraw/zinc/07/07/72/647070772.db2.gz VROQDEWTBLEJCM-UHFFFAOYSA-N -1 3 318.285 2.491 20 5 DEBDHM Cc1nn(C)c(Cl)c1CN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000865903643 687373838 /nfs/dbraw/zinc/37/38/38/687373838.db2.gz JXFZHIJZNHZHGT-UHFFFAOYSA-N -1 3 311.729 2.027 20 5 DEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC23CCC3)c(Cl)c1 ZINC000872652691 689057064 /nfs/dbraw/zinc/05/70/64/689057064.db2.gz MEKFNZJERUKWLN-LLVKDONJSA-N -1 3 316.766 2.469 20 5 DEBDHM C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC[C@H](C(F)(F)F)O1 ZINC000872752186 689083940 /nfs/dbraw/zinc/08/39/40/689083940.db2.gz KRTVZLUVEVFKCU-VXNVDRBHSA-N -1 3 321.255 2.242 20 5 DEBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CC(C)(C)C ZINC001106676742 782845796 /nfs/dbraw/zinc/84/57/96/782845796.db2.gz COUKJWBCBVZYTC-UHFFFAOYSA-N -1 3 324.381 2.392 20 5 DEBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C1(CC)CC1 ZINC001106941059 783531094 /nfs/dbraw/zinc/53/10/94/783531094.db2.gz UAZBLJAPQCJFBC-UHFFFAOYSA-N -1 3 322.365 2.146 20 5 DEBDHM CN1CCc2c(NCc3ncccc3[O-])ccc([N+](=O)[O-])c2C1 ZINC001169731235 785342069 /nfs/dbraw/zinc/34/20/69/785342069.db2.gz FBGIWHPZBYATAW-UHFFFAOYSA-N -1 3 314.345 2.295 20 5 DEBDHM CCC(C)(C)C(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094761048 793058602 /nfs/dbraw/zinc/05/86/02/793058602.db2.gz XYCDOTQWUXMFSH-UHFFFAOYSA-N -1 3 310.354 2.050 20 5 DEBDHM CC(C)C(=O)NCCCCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094923651 793444611 /nfs/dbraw/zinc/44/46/11/793444611.db2.gz CSLHHSMCJUIWSM-UHFFFAOYSA-N -1 3 324.381 2.440 20 5 DEBDHM O=c1[nH][n-]cc1CCCNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001156278302 797964062 /nfs/dbraw/zinc/96/40/62/797964062.db2.gz GVPMNHFCHIPTSQ-JTQLQIEISA-N -1 3 313.317 2.067 20 5 DEBDHM Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1cc(-c2cccs2)on1 ZINC001161601178 798894607 /nfs/dbraw/zinc/89/46/07/798894607.db2.gz JRVBLIKUHGWAQJ-UHFFFAOYSA-N -1 3 319.302 2.297 20 5 DEBDHM Cc1cc([O-])c([N+](=O)[O-])c(OC2CN(Cc3ccccc3)C2)n1 ZINC001231259466 801619277 /nfs/dbraw/zinc/61/92/77/801619277.db2.gz MDDMZFHHCWJTEL-UHFFFAOYSA-N -1 3 315.329 2.267 20 5 DEBDHM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1nc2c(cccc2[O-])[nH]1 ZINC001234447180 802382088 /nfs/dbraw/zinc/38/20/88/802382088.db2.gz KLEJWFPQAXBCJA-QMMMGPOBSA-N -1 3 317.305 2.149 20 5 DEBDHM CC(C)Oc1cncc(COc2nccc([O-])c2[N+](=O)[O-])c1 ZINC001225663648 802998602 /nfs/dbraw/zinc/99/86/02/802998602.db2.gz FBNKKSZDTFXZJS-UHFFFAOYSA-N -1 3 305.290 2.457 20 5 DEBDHM CC(C)Oc1ncccc1COc1nccc([O-])c1[N+](=O)[O-] ZINC001225664101 802999297 /nfs/dbraw/zinc/99/92/97/802999297.db2.gz JQEQUANKHREXIX-UHFFFAOYSA-N -1 3 305.290 2.457 20 5 DEBDHM Cc1c(=O)[n-]cnc1O[C@@H](C)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001226071042 803049051 /nfs/dbraw/zinc/04/90/51/803049051.db2.gz KYNIYYOJGJOSBE-QMMMGPOBSA-N -1 3 319.273 2.268 20 5 DEBDHM CC(=O)c1cnc(=O)[n-]c1O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001226238804 803076246 /nfs/dbraw/zinc/07/62/46/803076246.db2.gz YOGJLPISOQCZID-VIFPVBQESA-N -1 3 303.274 2.433 20 5 DEBDHM O=[N+]([O-])c1ccc2c(c1)C[C@H](Oc1n[n-]c(-c3ccncc3)n1)C2 ZINC001228697412 803396633 /nfs/dbraw/zinc/39/66/33/803396633.db2.gz LBTOPNCYSDZUPA-CQSZACIVSA-N -1 3 323.312 2.321 20 5 DEBDHM COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC001604738973 973947265 /nfs/dbraw/zinc/94/72/65/973947265.db2.gz IGSYTHGFKNHOIG-GWCFXTLKSA-N -1 3 308.334 2.146 20 5 DEBDHM CN(CCc1ccccc1[N+](=O)[O-])Cc1cccc(C(=O)[O-])n1 ZINC001598502248 992449562 /nfs/dbraw/zinc/44/95/62/992449562.db2.gz QDSACRABHRODHP-UHFFFAOYSA-N -1 3 315.329 2.363 20 5 DEBDHM C[C@@H](O)C[C@H]1CCCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001593449412 995338955 /nfs/dbraw/zinc/33/89/55/995338955.db2.gz DOFMSACESNQQTA-BXUZGUMPSA-N -1 3 322.361 2.418 20 5 DEBDHM C[C@@H](CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)CC(F)F ZINC001603553062 1069986335 /nfs/dbraw/zinc/98/63/35/1069986335.db2.gz LOJTVBJYQQKXQA-SSDOTTSWSA-N -1 3 312.280 2.478 20 5 DEBDHM C[C@H]1CCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H]1C ZINC001603909335 1070146457 /nfs/dbraw/zinc/14/64/57/1070146457.db2.gz LMGQOBHVIIHBNA-DTWKUNHWSA-N -1 3 320.328 2.396 20 5 DEBDHM C[C@H]1CCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H]1C ZINC001603909335 1070146459 /nfs/dbraw/zinc/14/64/59/1070146459.db2.gz LMGQOBHVIIHBNA-DTWKUNHWSA-N -1 3 320.328 2.396 20 5 DEBDHM COC(=O)c1[n-]cnc1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001525688612 1070166114 /nfs/dbraw/zinc/16/61/14/1070166114.db2.gz XJTDHQNQIPCXKC-UHFFFAOYSA-N -1 3 324.680 2.010 20 5 DEBDHM COC(=O)c1nc[n-]c1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001525688612 1070166115 /nfs/dbraw/zinc/16/61/15/1070166115.db2.gz XJTDHQNQIPCXKC-UHFFFAOYSA-N -1 3 324.680 2.010 20 5 DEBDHM CCC(CC)(CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])OC ZINC001604020285 1070177895 /nfs/dbraw/zinc/17/78/95/1070177895.db2.gz VMOUNMUJGNVTSI-UHFFFAOYSA-N -1 3 320.353 2.392 20 5 DEBDHM CCC(CC)(CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])OC ZINC001604020285 1070177898 /nfs/dbraw/zinc/17/78/98/1070177898.db2.gz VMOUNMUJGNVTSI-UHFFFAOYSA-N -1 3 320.353 2.392 20 5 DEBDHM C[C@@H]1CC=CC[C@H]1Nc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001605408578 1070704700 /nfs/dbraw/zinc/70/47/00/1070704700.db2.gz PYAAIGKDMRLSQO-RKDXNWHRSA-N -1 3 315.337 2.124 20 5 DEBDHM C[C@@H]1CC=CC[C@H]1Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001605408578 1070704715 /nfs/dbraw/zinc/70/47/15/1070704715.db2.gz PYAAIGKDMRLSQO-RKDXNWHRSA-N -1 3 315.337 2.124 20 5 DEBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccn1 ZINC001605441783 1070712154 /nfs/dbraw/zinc/71/21/54/1070712154.db2.gz FLGCDMSGBBTMIE-VIFPVBQESA-N -1 3 311.305 2.343 20 5 DEBDHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccccn1 ZINC001605441783 1070712171 /nfs/dbraw/zinc/71/21/71/1070712171.db2.gz FLGCDMSGBBTMIE-VIFPVBQESA-N -1 3 311.305 2.343 20 5 DEBDHM O=C(CCC1CC1)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001606508670 1071156835 /nfs/dbraw/zinc/15/68/35/1071156835.db2.gz CNAFJPIQMMJJFN-UHFFFAOYSA-N -1 3 317.305 2.008 20 5 DEBDHM O=C(CCC1CC1)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001606508670 1071156842 /nfs/dbraw/zinc/15/68/42/1071156842.db2.gz CNAFJPIQMMJJFN-UHFFFAOYSA-N -1 3 317.305 2.008 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CCCC1(F)F ZINC001607080660 1071291081 /nfs/dbraw/zinc/29/10/81/1071291081.db2.gz WFOQTLOBBNRIIE-SNVBAGLBSA-N -1 3 310.264 2.375 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCCC1(F)F ZINC001607080660 1071291087 /nfs/dbraw/zinc/29/10/87/1071291087.db2.gz WFOQTLOBBNRIIE-SNVBAGLBSA-N -1 3 310.264 2.375 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N[C@@H]1CC12CCC2 ZINC001607077689 1071288609 /nfs/dbraw/zinc/28/86/09/1071288609.db2.gz QKJDDNXXKYQBJG-LLVKDONJSA-N -1 3 304.285 2.269 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N[C@@H]1CC12CCC2 ZINC001607077689 1071288610 /nfs/dbraw/zinc/28/86/10/1071288610.db2.gz QKJDDNXXKYQBJG-LLVKDONJSA-N -1 3 304.285 2.269 20 5 DEBDHM O=[N+]([O-])c1ccc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)c(-c2nnn[n-]2)c1 ZINC001607082874 1071291007 /nfs/dbraw/zinc/29/10/07/1071291007.db2.gz VPUJAXADYYXTKN-OPRDCNLKSA-N -1 3 300.322 2.375 20 5 DEBDHM O=[N+]([O-])c1ccc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)c(-c2nn[n-]n2)c1 ZINC001607082874 1071291013 /nfs/dbraw/zinc/29/10/13/1071291013.db2.gz VPUJAXADYYXTKN-OPRDCNLKSA-N -1 3 300.322 2.375 20 5 DEBDHM O=[N+]([O-])c1ccc(N2CCCC3(CC3)C2)c(-c2nnn[n-]2)c1 ZINC001607081780 1071291808 /nfs/dbraw/zinc/29/18/08/1071291808.db2.gz GXPSNPUQLVSUAN-UHFFFAOYSA-N -1 3 300.322 2.155 20 5 DEBDHM O=[N+]([O-])c1ccc(N2CCCC3(CC3)C2)c(-c2nn[n-]n2)c1 ZINC001607081780 1071291813 /nfs/dbraw/zinc/29/18/13/1071291813.db2.gz GXPSNPUQLVSUAN-UHFFFAOYSA-N -1 3 300.322 2.155 20 5 DEBDHM CCc1ncoc1C(=O)[N-]c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC001456642297 1057886133 /nfs/dbraw/zinc/88/61/33/1057886133.db2.gz OSPJFXXPAVKAID-UHFFFAOYSA-N -1 3 319.273 2.184 20 5 DEBDHM COc1c([O-])ccc(CNc2cnn3c2CCCC3)c1[N+](=O)[O-] ZINC001462503249 1058838453 /nfs/dbraw/zinc/83/84/53/1058838453.db2.gz HXJXHQGEFQGNHV-UHFFFAOYSA-N -1 3 318.333 2.454 20 5 DEBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2C=CCC2)c(F)cc1[N+](=O)[O-] ZINC001475625129 1061020763 /nfs/dbraw/zinc/02/07/63/1061020763.db2.gz MOGURVXLQDRORY-SNVBAGLBSA-N -1 3 314.338 2.287 20 5 DEBDHM Cn1cc(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])c2cccnc21 ZINC001640295637 1078652715 /nfs/dbraw/zinc/65/27/15/1078652715.db2.gz BMSYWZHLZAJNPW-UHFFFAOYSA-N -1 3 313.317 2.237 20 5 DEBDHM O=c1[n-]c(CSc2cccc([N+](=O)[O-])c2)nc2c1COCC2 ZINC001329272529 1148879653 /nfs/dbraw/zinc/87/96/53/1148879653.db2.gz ISKJVEPYTIYISN-UHFFFAOYSA-N -1 3 319.342 2.455 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1C[C@H]1c1ccco1 ZINC001582803334 1076185236 /nfs/dbraw/zinc/18/52/36/1076185236.db2.gz CNKJXPSDYBIUSP-MWLCHTKSSA-N -1 3 312.289 2.336 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1C[C@H]1c1ccco1 ZINC001582803334 1076185239 /nfs/dbraw/zinc/18/52/39/1076185239.db2.gz CNKJXPSDYBIUSP-MWLCHTKSSA-N -1 3 312.289 2.336 20 5 DEBDHM CC(C)[C@@H](C)C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589435615 1076488996 /nfs/dbraw/zinc/48/89/96/1076488996.db2.gz KLPNZBKOXOIIDF-SECBINFHSA-N -1 3 319.321 2.110 20 5 DEBDHM CC(C)[C@@H](C)C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589435615 1076489001 /nfs/dbraw/zinc/48/90/01/1076489001.db2.gz KLPNZBKOXOIIDF-SECBINFHSA-N -1 3 319.321 2.110 20 5 DEBDHM CC(C)[C@@]1(C)C[C@H]1Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589489886 1076491326 /nfs/dbraw/zinc/49/13/26/1076491326.db2.gz FDYYBCXDSFGGAI-ZWNOBZJWSA-N -1 3 303.326 2.016 20 5 DEBDHM CC(C)[C@@]1(C)C[C@H]1Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589489886 1076491327 /nfs/dbraw/zinc/49/13/27/1076491327.db2.gz FDYYBCXDSFGGAI-ZWNOBZJWSA-N -1 3 303.326 2.016 20 5 DEBDHM C[C@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])CC(F)F ZINC001589876612 1076523679 /nfs/dbraw/zinc/52/36/79/1076523679.db2.gz HHUQQNWFCRWDCW-ZETCQYMHSA-N -1 3 312.280 2.478 20 5 DEBDHM C[C@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])CC(F)F ZINC001589876612 1076523689 /nfs/dbraw/zinc/52/36/89/1076523689.db2.gz HHUQQNWFCRWDCW-ZETCQYMHSA-N -1 3 312.280 2.478 20 5 DEBDHM CC1(C)C(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1(C)C ZINC001590075719 1076556369 /nfs/dbraw/zinc/55/63/69/1076556369.db2.gz AIYPGRJEQUGBSR-UHFFFAOYSA-N -1 3 317.353 2.264 20 5 DEBDHM CC1(C)C(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1(C)C ZINC001590075719 1076556373 /nfs/dbraw/zinc/55/63/73/1076556373.db2.gz AIYPGRJEQUGBSR-UHFFFAOYSA-N -1 3 317.353 2.264 20 5 DEBDHM C[C@@H]1CCCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001590255087 1076600865 /nfs/dbraw/zinc/60/08/65/1076600865.db2.gz QDQVWGYDVVYGIW-SNVBAGLBSA-N -1 3 302.338 2.401 20 5 DEBDHM C[C@@H]1CCCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001590255087 1076600867 /nfs/dbraw/zinc/60/08/67/1076600867.db2.gz QDQVWGYDVVYGIW-SNVBAGLBSA-N -1 3 302.338 2.401 20 5 DEBDHM C[C@@H]1[C@H](C)CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])[C@H]1C ZINC001590313188 1076610372 /nfs/dbraw/zinc/61/03/72/1076610372.db2.gz LVLMXUOKCYWFCY-BBBLOLIVSA-N -1 3 302.338 2.256 20 5 DEBDHM C[C@@H]1[C@H](C)CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])[C@H]1C ZINC001590313188 1076610375 /nfs/dbraw/zinc/61/03/75/1076610375.db2.gz LVLMXUOKCYWFCY-BBBLOLIVSA-N -1 3 302.338 2.256 20 5 DEBDHM CC/C(C)=C/C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590389344 1076619566 /nfs/dbraw/zinc/61/95/66/1076619566.db2.gz RKTABEHAVHKSQS-VQHVLOKHSA-N -1 3 317.305 2.174 20 5 DEBDHM CC/C(C)=C/C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590389344 1076619568 /nfs/dbraw/zinc/61/95/68/1076619568.db2.gz RKTABEHAVHKSQS-VQHVLOKHSA-N -1 3 317.305 2.174 20 5 DEBDHM CC[C@@H](C)[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)OC ZINC001590399472 1076619850 /nfs/dbraw/zinc/61/98/50/1076619850.db2.gz GFPNUBCNYWNRFW-RNCFNFMXSA-N -1 3 320.353 2.248 20 5 DEBDHM CC[C@@H](C)[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)OC ZINC001590399472 1076619853 /nfs/dbraw/zinc/61/98/53/1076619853.db2.gz GFPNUBCNYWNRFW-RNCFNFMXSA-N -1 3 320.353 2.248 20 5 DEBDHM Cc1ccc([N+](=O)[O-])c(NCc2ccc(-c3nnn[n-]3)cn2)c1 ZINC001592197428 1076873310 /nfs/dbraw/zinc/87/33/10/1076873310.db2.gz KPOSGDCZHAISMK-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1ccc([N+](=O)[O-])c(NCc2ccc(-c3nn[n-]n3)cn2)c1 ZINC001592197428 1076873318 /nfs/dbraw/zinc/87/33/18/1076873318.db2.gz KPOSGDCZHAISMK-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NC[C@@H]1C=CCC1 ZINC001593468409 1077005089 /nfs/dbraw/zinc/00/50/89/1077005089.db2.gz KPOBCRMYPDKXDQ-MRVPVSSYSA-N -1 3 304.285 2.292 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NC[C@@H]1C=CCC1 ZINC001593468409 1077005092 /nfs/dbraw/zinc/00/50/92/1077005092.db2.gz KPOBCRMYPDKXDQ-MRVPVSSYSA-N -1 3 304.285 2.292 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1Oc1ccc(F)nc1 ZINC001593466427 1077005983 /nfs/dbraw/zinc/00/59/83/1077005983.db2.gz BRIGHNKKWBGHCU-UHFFFAOYSA-N -1 3 320.215 2.240 20 5 DEBDHM O=[N+]([O-])c1cc(COc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC001593472873 1077007049 /nfs/dbraw/zinc/00/70/49/1077007049.db2.gz BFMCCQFCLYWFNP-UHFFFAOYSA-N -1 3 303.303 2.415 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCc1ccsc1 ZINC001593474759 1077008112 /nfs/dbraw/zinc/00/81/12/1077008112.db2.gz JQWCUHKQRKSKKK-UHFFFAOYSA-N -1 3 302.319 2.449 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCc1ccsc1 ZINC001593474759 1077008117 /nfs/dbraw/zinc/00/81/17/1077008117.db2.gz JQWCUHKQRKSKKK-UHFFFAOYSA-N -1 3 302.319 2.449 20 5 DEBDHM O=[N+]([O-])c1ccc2c(c1)CN(c1ccc(-c3nn[n-]n3)cc1)C2 ZINC001593479693 1077009713 /nfs/dbraw/zinc/00/97/13/1077009713.db2.gz QYJQDMKGCHRKAQ-UHFFFAOYSA-N -1 3 308.301 2.295 20 5 DEBDHM O=C([O-])COc1ccc(CN2CCC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC001608759019 1077689710 /nfs/dbraw/zinc/68/97/10/1077689710.db2.gz RNIOHPLPHQGUNV-ZDUSSCGKSA-N -1 3 320.345 2.433 20 5 DEBDHM CC1(C)CCCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001609145426 1077772196 /nfs/dbraw/zinc/77/21/96/1077772196.db2.gz NJCCNJYYQKKZNQ-UHFFFAOYSA-N -1 3 317.353 2.186 20 5 DEBDHM CC1(C)CCCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001609145426 1077772202 /nfs/dbraw/zinc/77/22/02/1077772202.db2.gz NJCCNJYYQKKZNQ-UHFFFAOYSA-N -1 3 317.353 2.186 20 5 DEBDHM Cc1cc(N2CCC=C(C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609151445 1077774459 /nfs/dbraw/zinc/77/44/59/1077774459.db2.gz IXBMOLVFGIBQER-UHFFFAOYSA-N -1 3 300.322 2.240 20 5 DEBDHM Cc1cc(N2CCC=C(C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609151445 1077774462 /nfs/dbraw/zinc/77/44/62/1077774462.db2.gz IXBMOLVFGIBQER-UHFFFAOYSA-N -1 3 300.322 2.240 20 5 DEBDHM CCSCCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001609248504 1077813877 /nfs/dbraw/zinc/81/38/77/1077813877.db2.gz BVUVSHSAMLDOFD-UHFFFAOYSA-N -1 3 308.367 2.330 20 5 DEBDHM CCSCCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609248504 1077813879 /nfs/dbraw/zinc/81/38/79/1077813879.db2.gz BVUVSHSAMLDOFD-UHFFFAOYSA-N -1 3 308.367 2.330 20 5 DEBDHM CO[C@H]1CCCC[C@@H]1Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609332890 1077835278 /nfs/dbraw/zinc/83/52/78/1077835278.db2.gz VERJOXMEGBBFIX-AAEUAGOBSA-N -1 3 318.337 2.144 20 5 DEBDHM O=[N+]([O-])c1cccnc1N[C@@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001609603665 1077882258 /nfs/dbraw/zinc/88/22/58/1077882258.db2.gz VZJPZANRYGOYON-GFCCVEGCSA-N -1 3 323.316 2.269 20 5 DEBDHM O=[N+]([O-])c1cccnc1N[C@@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001609603665 1077882261 /nfs/dbraw/zinc/88/22/61/1077882261.db2.gz VZJPZANRYGOYON-GFCCVEGCSA-N -1 3 323.316 2.269 20 5 DEBDHM O=[N+]([O-])c1ccc(NCC2CC(F)(F)C2)c(-c2nnn[n-]2)c1 ZINC001609601906 1077882280 /nfs/dbraw/zinc/88/22/80/1077882280.db2.gz HHSNBGHNDZZEEU-UHFFFAOYSA-N -1 3 310.264 2.232 20 5 DEBDHM O=[N+]([O-])c1ccc(NCC2CC(F)(F)C2)c(-c2nn[n-]n2)c1 ZINC001609601906 1077882284 /nfs/dbraw/zinc/88/22/84/1077882284.db2.gz HHSNBGHNDZZEEU-UHFFFAOYSA-N -1 3 310.264 2.232 20 5 DEBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCSC[C@@H](C(=O)[O-])C1 ZINC001609809092 1077928731 /nfs/dbraw/zinc/92/87/31/1077928731.db2.gz VNWVSGRWXAMANE-QWRGUYRKSA-N -1 3 310.375 2.405 20 5 DEBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001610515094 1078033044 /nfs/dbraw/zinc/03/30/44/1078033044.db2.gz OXHKOYZONMFJNG-ABAIWWIYSA-N -1 3 322.361 2.122 20 5 DEBDHM CC(=O)c1ccc(NCc2nc(C)cc(=O)[n-]2)c([N+](=O)[O-])c1 ZINC001655629784 1080008995 /nfs/dbraw/zinc/00/89/95/1080008995.db2.gz HSPDUIHDAYUZCF-UHFFFAOYSA-N -1 3 302.290 2.214 20 5 DEBDHM O=c1[nH][n-]cc1CCCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC001655717377 1080014480 /nfs/dbraw/zinc/01/44/80/1080014480.db2.gz FEMKDKIVBIOEFQ-JTQLQIEISA-N -1 3 313.317 2.067 20 5 DEBDHM CCN(CCCNC(=O)CC(C)C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095817383 1081418318 /nfs/dbraw/zinc/41/83/18/1081418318.db2.gz FGFORTOXXJUWRA-UHFFFAOYSA-N -1 3 324.381 2.074 20 5 DEBDHM C[C@H]1C[C@@H]1c1nnc(-c2n[n-]c([N+](=O)[O-])c2Br)o1 ZINC001256710224 1143863977 /nfs/dbraw/zinc/86/39/77/1143863977.db2.gz SIPCBLJTYOLHCZ-IMJSIDKUSA-N -1 3 314.099 2.254 20 5 DEBDHM C[C@H]1C[C@@H]1c1nnc(-c2[n-]nc([N+](=O)[O-])c2Br)o1 ZINC001256710224 1143863978 /nfs/dbraw/zinc/86/39/78/1143863978.db2.gz SIPCBLJTYOLHCZ-IMJSIDKUSA-N -1 3 314.099 2.254 20 5 DEBDHM CSc1nnc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)[n-]1 ZINC000617714010 363230450 /nfs/dbraw/zinc/23/04/50/363230450.db2.gz FCDAZDSZWNPPOP-SSDOTTSWSA-N -1 3 307.335 2.177 20 5 DEBDHM CSc1n[n-]c(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000617714010 363230455 /nfs/dbraw/zinc/23/04/55/363230455.db2.gz FCDAZDSZWNPPOP-SSDOTTSWSA-N -1 3 307.335 2.177 20 5 DEBDHM CSc1nc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)n[n-]1 ZINC000617714010 363230460 /nfs/dbraw/zinc/23/04/60/363230460.db2.gz FCDAZDSZWNPPOP-SSDOTTSWSA-N -1 3 307.335 2.177 20 5 DEBDHM O=C(NC[C@@H]1CCCCN1C1CC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000618039103 363356335 /nfs/dbraw/zinc/35/63/35/363356335.db2.gz FPNJAHXYYDJVRW-ZDUSSCGKSA-N -1 3 319.361 2.047 20 5 DEBDHM O=C(OC[C@@H]1CCCCO1)c1[n-]nc2ccc([N+](=O)[O-])cc21 ZINC000067634579 354771034 /nfs/dbraw/zinc/77/10/34/354771034.db2.gz WOQVWSFTIGCGKH-JTQLQIEISA-N -1 3 305.290 2.197 20 5 DEBDHM O=C(OC[C@@H]1CCCCO1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000067634579 354771038 /nfs/dbraw/zinc/77/10/38/354771038.db2.gz WOQVWSFTIGCGKH-JTQLQIEISA-N -1 3 305.290 2.197 20 5 DEBDHM COc1ccc(CC(=O)Nc2ccccc2[O-])cc1[N+](=O)[O-] ZINC000069370345 354862405 /nfs/dbraw/zinc/86/24/05/354862405.db2.gz IKHKPHHIUKPMFR-UHFFFAOYSA-N -1 3 302.286 2.490 20 5 DEBDHM C[C@H](C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000356688946 283068493 /nfs/dbraw/zinc/06/84/93/283068493.db2.gz DXTNUDNAWKGFAN-SSDOTTSWSA-N -1 3 312.269 2.072 20 5 DEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CC=CC2)c(Cl)c1 ZINC000132179955 355850584 /nfs/dbraw/zinc/85/05/84/355850584.db2.gz CAVUIQSQJUPEFT-UHFFFAOYSA-N -1 3 302.739 2.245 20 5 DEBDHM Cc1cc(N2CCN(C)[C@H](C(C)C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000581432105 357187393 /nfs/dbraw/zinc/18/73/93/357187393.db2.gz JYZJRBLSFPHIAF-AWEZNQCLSA-N -1 3 321.377 2.378 20 5 DEBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCS[C@H]2C)cc1[N+](=O)[O-] ZINC000592109863 357832673 /nfs/dbraw/zinc/83/26/73/357832673.db2.gz FSQAYMZTICMRMD-POYBYMJQSA-N -1 3 322.433 2.137 20 5 DEBDHM O=c1[n-]ccc(N2CCCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000596082110 358606118 /nfs/dbraw/zinc/60/61/18/358606118.db2.gz HOCUSJQLBAPMSP-UHFFFAOYSA-N -1 3 314.345 2.412 20 5 DEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC1CCSCC1 ZINC000264963709 204308079 /nfs/dbraw/zinc/30/80/79/204308079.db2.gz OXCNLMLPMFYBCQ-UHFFFAOYSA-N -1 3 316.404 2.016 20 5 DEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCC[C@H]1C ZINC000104763135 194035827 /nfs/dbraw/zinc/03/58/27/194035827.db2.gz SYKUWKQEYGULGY-KOLCDFICSA-N -1 3 314.363 2.070 20 5 DEBDHM COc1cccc2sc([N-]C(=O)c3n[nH]cc3[N+](=O)[O-])nc21 ZINC000159349800 197346323 /nfs/dbraw/zinc/34/63/23/197346323.db2.gz FIYZUWKLTKDYEJ-UHFFFAOYSA-N -1 3 319.302 2.189 20 5 DEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cccn2C)c1C ZINC000268872797 207041572 /nfs/dbraw/zinc/04/15/72/207041572.db2.gz PQFOIOKZCPERSJ-UHFFFAOYSA-N -1 3 323.374 2.029 20 5 DEBDHM CS[C@@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000157911225 197226136 /nfs/dbraw/zinc/22/61/36/197226136.db2.gz JUTRNKXRHPGBCK-ZETCQYMHSA-N -1 3 324.811 2.278 20 5 DEBDHM Cc1cc(C(=O)NCCNc2ccccc2[N+](=O)[O-])ccc1[O-] ZINC000353867383 133007913 /nfs/dbraw/zinc/00/79/13/133007913.db2.gz DTZVPERHIKQTRJ-UHFFFAOYSA-N -1 3 315.329 2.451 20 5 DEBDHM CCCCN(C)S(=O)(=O)[N-]c1cc(F)cc([N+](=O)[O-])c1 ZINC000355874981 133053778 /nfs/dbraw/zinc/05/37/78/133053778.db2.gz ADUBWDALVPCZBV-UHFFFAOYSA-N -1 3 305.331 2.123 20 5 DEBDHM CCC(CC)c1nnc([N-]C(=O)c2cc([N+](=O)[O-])nn2C)s1 ZINC000360541167 133188345 /nfs/dbraw/zinc/18/83/45/133188345.db2.gz DWOUERQJSIDFSE-UHFFFAOYSA-N -1 3 324.366 2.336 20 5 DEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nc3ccc(F)cn3n2)c1 ZINC000085742314 401918579 /nfs/dbraw/zinc/91/85/79/401918579.db2.gz FNDKMVDLEBRLLQ-UHFFFAOYSA-N -1 3 315.264 2.337 20 5 DEBDHM O=C(Nc1cnc(C2CC2)nc1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000103088555 402178399 /nfs/dbraw/zinc/17/83/99/402178399.db2.gz ZZGRMQQXJBUQQF-UHFFFAOYSA-N -1 3 324.300 2.391 20 5 DEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CC2)c(C(F)(F)F)c1 ZINC000179024699 402565806 /nfs/dbraw/zinc/56/58/06/402565806.db2.gz DRJJYUOQIMAVIH-UHFFFAOYSA-N -1 3 324.280 2.302 20 5 DEBDHM O=C([N-]OC[C@H]1CCOC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000189446160 402537873 /nfs/dbraw/zinc/53/78/73/402537873.db2.gz XDYNHCYHVIONEO-QMMMGPOBSA-N -1 3 315.713 2.338 20 5 DEBDHM O=C(CSc1ncccc1[N+](=O)[O-])Nc1ccccc1[O-] ZINC000180699455 402623959 /nfs/dbraw/zinc/62/39/59/402623959.db2.gz RPGQRDVVDPIBRZ-UHFFFAOYSA-N -1 3 305.315 2.426 20 5 DEBDHM C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000274829886 403092006 /nfs/dbraw/zinc/09/20/06/403092006.db2.gz RPXUWYDWZRSQLD-NSHDSACASA-N -1 3 321.377 2.103 20 5 DEBDHM C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000274729492 403082181 /nfs/dbraw/zinc/08/21/81/403082181.db2.gz AYVIRBBIOWDMKP-NSHDSACASA-N -1 3 321.377 2.103 20 5 DEBDHM Cc1[nH]nc(C(=O)[N-]c2nc(-c3ccc[nH]3)cs2)c1[N+](=O)[O-] ZINC000342861133 403376462 /nfs/dbraw/zinc/37/64/62/403376462.db2.gz LYUTYFGSULSSLN-UHFFFAOYSA-N -1 3 318.318 2.330 20 5 DEBDHM CCCN(CCN1CCCC1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000287383186 403587717 /nfs/dbraw/zinc/58/77/17/403587717.db2.gz ORZXCPSDOICFOZ-UHFFFAOYSA-N -1 3 321.377 2.248 20 5 DEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCc1ccco1 ZINC000340393112 403602544 /nfs/dbraw/zinc/60/25/44/403602544.db2.gz PMIXLXSWGLALOO-UHFFFAOYSA-N -1 3 310.331 2.017 20 5 DEBDHM CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000344705395 404318601 /nfs/dbraw/zinc/31/86/01/404318601.db2.gz MNTIMEPSYYKTDG-CQSZACIVSA-N -1 3 321.377 2.151 20 5 DEBDHM CCc1cnccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000358013928 404751255 /nfs/dbraw/zinc/75/12/55/404751255.db2.gz LZEKBBNACMZPNP-UHFFFAOYSA-N -1 3 311.301 2.103 20 5 DEBDHM Cc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1ccc(S(C)(=O)=O)o1 ZINC000353380044 404818669 /nfs/dbraw/zinc/81/86/69/404818669.db2.gz ZYIAXKHKOJVDAC-UHFFFAOYSA-N -1 3 324.314 2.152 20 5 DEBDHM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1ccccc1F ZINC000360878557 404843245 /nfs/dbraw/zinc/84/32/45/404843245.db2.gz QSTUQDISESEDLD-UHFFFAOYSA-N -1 3 324.333 2.255 20 5 DEBDHM CC/C=C\C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000451774785 405032765 /nfs/dbraw/zinc/03/27/65/405032765.db2.gz NNGDLEHYWFIWRG-ARJAWSKDSA-N -1 3 304.755 2.493 20 5 DEBDHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2F)c1 ZINC000416588960 405190909 /nfs/dbraw/zinc/19/09/09/405190909.db2.gz ITRBZYMBGZPINA-VXGBXAGGSA-N -1 3 302.327 2.154 20 5 DEBDHM C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436962513 405168815 /nfs/dbraw/zinc/16/88/15/405168815.db2.gz FGYOGOAICQBOGL-NEPJUHHUSA-N -1 3 321.377 2.151 20 5 DEBDHM C[C@@]1(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCCCN1 ZINC000423741867 405940112 /nfs/dbraw/zinc/94/01/12/405940112.db2.gz KSUASHQPGMHIJL-ZDUSSCGKSA-N -1 3 313.741 2.425 20 5 DEBDHM CCC[C@@](C)(N)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000423746324 405943047 /nfs/dbraw/zinc/94/30/47/405943047.db2.gz QVGGWESSYFSQRH-GFCCVEGCSA-N -1 3 301.730 2.410 20 5 DEBDHM COc1cc(CN[C@H]2C[C@@H](OC(C)C)C2)c([N+](=O)[O-])cc1[O-] ZINC000459630249 405990748 /nfs/dbraw/zinc/99/07/48/405990748.db2.gz HWJNHCNHPZKFTM-TXEJJXNPSA-N -1 3 310.350 2.355 20 5 DEBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C)C(F)F ZINC000451087448 406047296 /nfs/dbraw/zinc/04/72/96/406047296.db2.gz WZYUQZHSOXMEHY-SECBINFHSA-N -1 3 308.306 2.225 20 5 DEBDHM O=C(Nc1ccccc1[O-])c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000535351868 406220648 /nfs/dbraw/zinc/22/06/48/406220648.db2.gz XBDXFTJXAFELNW-UHFFFAOYSA-N -1 3 302.242 2.281 20 5 DEBDHM CCN(C[C@@H]1CCCN1CC)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000548125550 406483312 /nfs/dbraw/zinc/48/33/12/406483312.db2.gz USNXXDHRUGNHMA-LBPRGKRZSA-N -1 3 321.377 2.247 20 5 DEBDHM C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000132011009 196219195 /nfs/dbraw/zinc/21/91/95/196219195.db2.gz UDGKJOPTIFCNML-DTWKUNHWSA-N -1 3 302.327 2.201 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2noc([N-][C@@H](CO)CC3CCC3)n2)cc1 ZINC000360113723 424836146 /nfs/dbraw/zinc/83/61/46/424836146.db2.gz DBZUWTFHTFQEMS-GFCCVEGCSA-N -1 3 318.333 2.608 20 5 DEBDHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1ncn(C)n1 ZINC000514927747 269336659 /nfs/dbraw/zinc/33/66/59/269336659.db2.gz MOWCOFYBOHGATK-UHFFFAOYSA-N -1 3 321.362 2.478 20 5 DEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CS[C@H](C)C1 ZINC000416579397 302050167 /nfs/dbraw/zinc/05/01/67/302050167.db2.gz CPOKAGBXVXLFCE-NXEZZACHSA-N -1 3 316.404 2.076 20 5 DEBDHM C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1cccs1 ZINC000820461984 599213104 /nfs/dbraw/zinc/21/31/04/599213104.db2.gz TWVVCMJZERPVDG-SSDOTTSWSA-N -1 3 317.334 2.405 20 5 DEBDHM C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1cccs1 ZINC000820461984 599213106 /nfs/dbraw/zinc/21/31/06/599213106.db2.gz TWVVCMJZERPVDG-SSDOTTSWSA-N -1 3 317.334 2.405 20 5 DEBDHM COc1cc(CN2CCC[C@H](CC(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000820763900 598209708 /nfs/dbraw/zinc/20/97/08/598209708.db2.gz LAAFAMLSSWIWJP-LLVKDONJSA-N -1 3 308.334 2.290 20 5 DEBDHM Cc1cccnc1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737436131 598243988 /nfs/dbraw/zinc/24/39/88/598243988.db2.gz LKLFIDUTZUELKO-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1cccnc1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737436131 598243989 /nfs/dbraw/zinc/24/39/89/598243989.db2.gz LKLFIDUTZUELKO-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM COc1ccc(C=Cc2ccc(-c3nnn[n-]3)cn2)cc1[N+](=O)[O-] ZINC000737080903 598392407 /nfs/dbraw/zinc/39/24/07/598392407.db2.gz IMEOBBJMSZYNLQ-GORDUTHDSA-N -1 3 324.300 2.349 20 5 DEBDHM COc1ccc(C=Cc2ccc(-c3nn[n-]n3)cn2)cc1[N+](=O)[O-] ZINC000737080903 598392409 /nfs/dbraw/zinc/39/24/09/598392409.db2.gz IMEOBBJMSZYNLQ-GORDUTHDSA-N -1 3 324.300 2.349 20 5 DEBDHM C[C@H]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000737196575 598503782 /nfs/dbraw/zinc/50/37/82/598503782.db2.gz RHMFJIMWAOGQRD-KYZUINATSA-N -1 3 303.326 2.161 20 5 DEBDHM C[C@H]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000737196575 598503783 /nfs/dbraw/zinc/50/37/83/598503783.db2.gz RHMFJIMWAOGQRD-KYZUINATSA-N -1 3 303.326 2.161 20 5 DEBDHM CN(c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC000736842756 598816749 /nfs/dbraw/zinc/81/67/49/598816749.db2.gz WRRFOKQGWZFOOD-UHFFFAOYSA-N -1 3 314.349 2.400 20 5 DEBDHM CN(c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC000736842756 598816750 /nfs/dbraw/zinc/81/67/50/598816750.db2.gz WRRFOKQGWZFOOD-UHFFFAOYSA-N -1 3 314.349 2.400 20 5 DEBDHM C[C@@H]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@@H](C)C1 ZINC000736245769 598816971 /nfs/dbraw/zinc/81/69/71/598816971.db2.gz WNSRCLZYADMUKJ-VDDIYKPWSA-N -1 3 317.353 2.407 20 5 DEBDHM C[C@@H]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@@H](C)C1 ZINC000736245769 598816972 /nfs/dbraw/zinc/81/69/72/598816972.db2.gz WNSRCLZYADMUKJ-VDDIYKPWSA-N -1 3 317.353 2.407 20 5 DEBDHM C[C@@H](Nc1ncccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820462233 599355003 /nfs/dbraw/zinc/35/50/03/599355003.db2.gz VYONFDYOXHBXFK-SECBINFHSA-N -1 3 311.305 2.343 20 5 DEBDHM C[C@@H](Nc1ncccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820462233 599355006 /nfs/dbraw/zinc/35/50/06/599355006.db2.gz VYONFDYOXHBXFK-SECBINFHSA-N -1 3 311.305 2.343 20 5 DEBDHM C[C@@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@@H]1C ZINC000820697706 599447154 /nfs/dbraw/zinc/44/71/54/599447154.db2.gz KSVRFIJDSUUNTL-LNLATYFQSA-N -1 3 317.353 2.407 20 5 DEBDHM C[C@@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@@H]1C ZINC000820697706 599447156 /nfs/dbraw/zinc/44/71/56/599447156.db2.gz KSVRFIJDSUUNTL-LNLATYFQSA-N -1 3 317.353 2.407 20 5 DEBDHM CO[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(C)(C)C ZINC000821678509 599687633 /nfs/dbraw/zinc/68/76/33/599687633.db2.gz OQNRUMSYYPDMLY-GFCCVEGCSA-N -1 3 320.353 2.248 20 5 DEBDHM CO[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(C)(C)C ZINC000821678509 599687634 /nfs/dbraw/zinc/68/76/34/599687634.db2.gz OQNRUMSYYPDMLY-GFCCVEGCSA-N -1 3 320.353 2.248 20 5 DEBDHM CC[C@@H]1C[C@@H](C)CN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820971281 599689008 /nfs/dbraw/zinc/68/90/08/599689008.db2.gz AOSKTSJGCXSMKJ-MWLCHTKSSA-N -1 3 302.338 2.400 20 5 DEBDHM CC[C@@H]1C[C@@H](C)CN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820971281 599689009 /nfs/dbraw/zinc/68/90/09/599689009.db2.gz AOSKTSJGCXSMKJ-MWLCHTKSSA-N -1 3 302.338 2.400 20 5 DEBDHM CN(C[C@@H]1CCCN1CCOc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000828223644 604092678 /nfs/dbraw/zinc/09/26/78/604092678.db2.gz NXSDOSDNIFRFTG-ZDUSSCGKSA-N -1 3 323.349 2.048 20 5 DEBDHM CC(C)(NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC000833460357 604920505 /nfs/dbraw/zinc/92/05/05/604920505.db2.gz DEGSEYBJTRSGCA-UHFFFAOYSA-N -1 3 305.290 2.203 20 5 DEBDHM CC1=C(C(=O)[O-])C[C@H](CN[C@H](C)c2ccccc2[N+](=O)[O-])O1 ZINC000833578980 605385900 /nfs/dbraw/zinc/38/59/00/605385900.db2.gz NACWBPJIQZCOKU-MWLCHTKSSA-N -1 3 306.318 2.393 20 5 DEBDHM CSCC[C@@H](C)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821961984 606039775 /nfs/dbraw/zinc/03/97/75/606039775.db2.gz NCQMRBHITVVAGN-SECBINFHSA-N -1 3 322.394 2.353 20 5 DEBDHM CSCC[C@@H](C)N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821961984 606039777 /nfs/dbraw/zinc/03/97/77/606039777.db2.gz NCQMRBHITVVAGN-SECBINFHSA-N -1 3 322.394 2.353 20 5 DEBDHM Cc1cccc(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)n1 ZINC000822304371 606645700 /nfs/dbraw/zinc/64/57/00/606645700.db2.gz VRIRTMJNPQWYHP-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM CC(C)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820043933 606725209 /nfs/dbraw/zinc/72/52/09/606725209.db2.gz CSAKCYKGRLHJAI-JTQLQIEISA-N -1 3 302.338 2.257 20 5 DEBDHM CC(C)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820043933 606725210 /nfs/dbraw/zinc/72/52/10/606725210.db2.gz CSAKCYKGRLHJAI-JTQLQIEISA-N -1 3 302.338 2.257 20 5 DEBDHM CC[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000825146493 607904529 /nfs/dbraw/zinc/90/45/29/607904529.db2.gz CKTYUSYYXIBEKA-MFKMUULPSA-N -1 3 318.337 2.144 20 5 DEBDHM CC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000825146493 607904530 /nfs/dbraw/zinc/90/45/30/607904530.db2.gz CKTYUSYYXIBEKA-MFKMUULPSA-N -1 3 318.337 2.144 20 5 DEBDHM C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H]1C ZINC000824962745 608302985 /nfs/dbraw/zinc/30/29/85/608302985.db2.gz XKOPOZVKOKLVSH-ZJUUUORDSA-N -1 3 302.338 2.257 20 5 DEBDHM C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H]1C ZINC000824962745 608302987 /nfs/dbraw/zinc/30/29/87/608302987.db2.gz XKOPOZVKOKLVSH-ZJUUUORDSA-N -1 3 302.338 2.257 20 5 DEBDHM C/C(=C\C(=O)NCc1ncccc1[O-])c1ccc([N+](=O)[O-])cc1 ZINC000792612601 644132115 /nfs/dbraw/zinc/13/21/15/644132115.db2.gz NGVIKFLDAIYSKR-PKNBQFBNSA-N -1 3 313.313 2.415 20 5 DEBDHM CC(C)[C@H]1CN(C)CCN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000910357533 645421808 /nfs/dbraw/zinc/42/18/08/645421808.db2.gz VTSXDXHOQNUJRR-CQSZACIVSA-N -1 3 307.350 2.069 20 5 DEBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cnn2cccnc12 ZINC000917609532 648018681 /nfs/dbraw/zinc/01/86/81/648018681.db2.gz ZOYFZPFBDJBMCO-UHFFFAOYSA-N -1 3 301.237 2.029 20 5 DEBDHM Cc1ccc(NC(=O)c2nnc3ccccc3c2[O-])cc1[N+](=O)[O-] ZINC000110038413 652155098 /nfs/dbraw/zinc/15/50/98/652155098.db2.gz OFSOFBKOKKQNIJ-UHFFFAOYSA-N -1 3 324.296 2.392 20 5 DEBDHM CC(C)(C)OC(=O)NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853476257 652551974 /nfs/dbraw/zinc/55/19/74/652551974.db2.gz LGQPIKDZYHKNIX-PLNGDYQASA-N -1 3 324.337 2.188 20 5 DEBDHM C[C@@](O)(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC000853486573 652553983 /nfs/dbraw/zinc/55/39/83/652553983.db2.gz GCSFRTNGGURBKF-OAHLLOKOSA-N -1 3 303.318 2.405 20 5 DEBDHM NCc1nn(-c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c2ccccc12 ZINC001167699881 777893651 /nfs/dbraw/zinc/89/36/51/777893651.db2.gz FFCIUAFMMIAUKT-UHFFFAOYSA-N -1 3 312.285 2.091 20 5 DEBDHM CCCCCC(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001110074599 786151726 /nfs/dbraw/zinc/15/17/26/786151726.db2.gz DCRDATOCSIMXSF-UHFFFAOYSA-N -1 3 322.365 2.336 20 5 DEBDHM CCC(CC)C(=O)N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001097161737 788000932 /nfs/dbraw/zinc/00/09/32/788000932.db2.gz ASIFBOVOLYUZKI-PHIMTYICSA-N -1 3 322.365 2.191 20 5 DEBDHM CC1(C)CC(C(=O)NCCCNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001094392982 792883881 /nfs/dbraw/zinc/88/38/81/792883881.db2.gz GQTKGKDFFJQHBD-UHFFFAOYSA-N -1 3 322.365 2.050 20 5 DEBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C1(C)CCCC1 ZINC001101878422 793425833 /nfs/dbraw/zinc/42/58/33/793425833.db2.gz OJAXJBLWNJUKSN-UHFFFAOYSA-N -1 3 322.365 2.146 20 5 DEBDHM CC(C)C(=O)NC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC001103402323 794074211 /nfs/dbraw/zinc/07/42/11/794074211.db2.gz PHHCZLYIKNLWOO-UHFFFAOYSA-N -1 3 322.365 2.192 20 5 DEBDHM Cc1nc[n-]c(=O)c1CCC(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC001115841596 794931314 /nfs/dbraw/zinc/93/13/14/794931314.db2.gz YSRKXBZJFPSTSB-UHFFFAOYSA-N -1 3 317.301 2.075 20 5 DEBDHM COC(=O)c1ccc(OC)c(Nc2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC001199819462 798536246 /nfs/dbraw/zinc/53/62/46/798536246.db2.gz SGZQXWYGMOFRMI-UHFFFAOYSA-N -1 3 319.273 2.234 20 5 DEBDHM Nc1ncc(Br)nc1[N-]c1ccccc1[N+](=O)[O-] ZINC001206139954 800479297 /nfs/dbraw/zinc/47/92/97/800479297.db2.gz CGZKTRQIGKOJNG-UHFFFAOYSA-N -1 3 310.111 2.473 20 5 DEBDHM CC(C)CC(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC001111741072 800894144 /nfs/dbraw/zinc/89/41/44/800894144.db2.gz 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/nfs/dbraw/zinc/99/92/69/802999269.db2.gz PZNRMILPESEYNM-UHFFFAOYSA-N -1 3 310.306 2.196 20 5 DEBDHM CCc1nc(O[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc(=O)[n-]1 ZINC001226472760 803113795 /nfs/dbraw/zinc/11/37/95/803113795.db2.gz MJSBWMJLLVNSAS-LBPRGKRZSA-N -1 3 301.302 2.199 20 5 DEBDHM O=[N+]([O-])c1cnc(OC[C@@H]2Cc3ccccc3O2)c2[n-]cnc21 ZINC001227693547 803268187 /nfs/dbraw/zinc/26/81/87/803268187.db2.gz VSNWPFRWBTWWFV-JTQLQIEISA-N -1 3 312.285 2.249 20 5 DEBDHM COC(=O)[C@@H]1C[C@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1(C)C ZINC001227743449 803274149 /nfs/dbraw/zinc/27/41/49/803274149.db2.gz PKMGXDTUFFLLBJ-CABZTGNLSA-N -1 3 319.317 2.438 20 5 DEBDHM COC(=O)[C@@H]1C[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1(C)C ZINC001227743449 803274153 /nfs/dbraw/zinc/27/41/53/803274153.db2.gz PKMGXDTUFFLLBJ-CABZTGNLSA-N -1 3 319.317 2.438 20 5 DEBDHM Cc1[n-]c(=O)cc(OC2CCC3(CC2)OCCO3)c1[N+](=O)[O-] ZINC001228686595 803394455 /nfs/dbraw/zinc/39/44/55/803394455.db2.gz OYLUMRNUDIFOOQ-UHFFFAOYSA-N -1 3 310.306 2.068 20 5 DEBDHM CCN1CC[C@@H](Oc2[n-]c(C(F)(F)F)cc(=O)c2[N+](=O)[O-])C1 ZINC001228863497 803422680 /nfs/dbraw/zinc/42/26/80/803422680.db2.gz ZERIQAGGHGCVPY-SSDOTTSWSA-N -1 3 321.255 2.187 20 5 DEBDHM COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](CC(=O)[O-])C1 ZINC001611037583 970860328 /nfs/dbraw/zinc/86/03/28/970860328.db2.gz DBRYTOKVAWPNJA-LLVKDONJSA-N -1 3 308.334 2.290 20 5 DEBDHM COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC001604738975 973947943 /nfs/dbraw/zinc/94/79/43/973947943.db2.gz IGSYTHGFKNHOIG-MFKMUULPSA-N -1 3 308.334 2.146 20 5 DEBDHM CC[C@@H](NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC001595299103 980423946 /nfs/dbraw/zinc/42/39/46/980423946.db2.gz JKRXDKRQFKXBTP-OCCSQVGLSA-N -1 3 308.334 2.340 20 5 DEBDHM CC(C)COCCN[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001591397103 992466187 /nfs/dbraw/zinc/46/61/87/992466187.db2.gz MNROMMJLZCTFJR-HNNXBMFYSA-N -1 3 310.350 2.157 20 5 DEBDHM O=C([O-])c1cnc(NC[C@@H]2CCN2C2CCCC2)c([N+](=O)[O-])c1 ZINC001602531008 1069664749 /nfs/dbraw/zinc/66/47/49/1069664749.db2.gz URMREKLXWALTNH-LBPRGKRZSA-N -1 3 320.349 2.117 20 5 DEBDHM CC(C)(C)[C@@H](NCc1c(F)cc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001603309406 1069941224 /nfs/dbraw/zinc/94/12/24/1069941224.db2.gz AWHCXNISUCFSRE-NSHDSACASA-N -1 3 302.277 2.462 20 5 DEBDHM CC(F)(F)CCCNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603595547 1070003463 /nfs/dbraw/zinc/00/34/63/1070003463.db2.gz SBBDACCFLNFSHG-UHFFFAOYSA-N -1 3 313.268 2.017 20 5 DEBDHM CC(F)(F)CCCNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603595547 1070003475 /nfs/dbraw/zinc/00/34/75/1070003475.db2.gz SBBDACCFLNFSHG-UHFFFAOYSA-N -1 3 313.268 2.017 20 5 DEBDHM CC([C@H](OC(=O)[C@H](C)CC(=O)[O-])c1ccccc1F)[N+](=O)[O-] ZINC001604095982 1070210718 /nfs/dbraw/zinc/21/07/18/1070210718.db2.gz JFFOUPCOZNJBFO-ZDMBXUJBSA-N -1 3 313.281 2.186 20 5 DEBDHM COCCCCCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001605088647 1070609032 /nfs/dbraw/zinc/60/90/32/1070609032.db2.gz PYPUZKUPKQJOKB-UHFFFAOYSA-N -1 3 306.326 2.004 20 5 DEBDHM COCCCCCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001605088647 1070609033 /nfs/dbraw/zinc/60/90/33/1070609033.db2.gz PYPUZKUPKQJOKB-UHFFFAOYSA-N -1 3 306.326 2.004 20 5 DEBDHM CCN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)(C)C(=O)[O-] ZINC001605463066 1070722314 /nfs/dbraw/zinc/72/23/14/1070722314.db2.gz KINPWLNHEVGNJK-UHFFFAOYSA-N -1 3 306.322 2.156 20 5 DEBDHM Cc1cc(N2CC[C@@H](C(F)F)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605692181 1070844711 /nfs/dbraw/zinc/84/47/11/1070844711.db2.gz SJBPVDGHJVZDCX-MRVPVSSYSA-N -1 3 324.291 2.175 20 5 DEBDHM Cc1cc(N2CC[C@@H](C(F)F)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605692181 1070844736 /nfs/dbraw/zinc/84/47/36/1070844736.db2.gz SJBPVDGHJVZDCX-MRVPVSSYSA-N -1 3 324.291 2.175 20 5 DEBDHM COc1ccc([N-]C(=O)c2ncc(OC)cc2F)c([N+](=O)[O-])c1 ZINC001530565117 1071256303 /nfs/dbraw/zinc/25/63/03/1071256303.db2.gz GQZYHBYQRSXSRC-UHFFFAOYSA-N -1 3 321.264 2.398 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC[C@@H]1CCCCS1 ZINC001607084398 1071292434 /nfs/dbraw/zinc/29/24/34/1071292434.db2.gz CUMQTCILFBMYCM-VIFPVBQESA-N -1 3 320.378 2.473 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC[C@@H]1CCCCS1 ZINC001607084398 1071292438 /nfs/dbraw/zinc/29/24/38/1071292438.db2.gz CUMQTCILFBMYCM-VIFPVBQESA-N -1 3 320.378 2.473 20 5 DEBDHM CCc1cccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1O ZINC001458028798 1058040632 /nfs/dbraw/zinc/04/06/32/1058040632.db2.gz UJRRXAOFWXKPQD-UHFFFAOYSA-N -1 3 303.274 2.216 20 5 DEBDHM O=c1[n-]ccc(NCc2cnn(-c3ccccc3)c2)c1[N+](=O)[O-] ZINC001611764610 1078105847 /nfs/dbraw/zinc/10/58/47/1078105847.db2.gz OKZPPRKVSPYAGS-UHFFFAOYSA-N -1 3 311.301 2.493 20 5 DEBDHM COc1cccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])c1OC ZINC001639311999 1078607307 /nfs/dbraw/zinc/60/73/07/1078607307.db2.gz FRDHIQPGOIBASW-UHFFFAOYSA-N -1 3 305.290 2.325 20 5 DEBDHM Cn1nc(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])c2ccccc21 ZINC001639804194 1078629092 /nfs/dbraw/zinc/62/90/92/1078629092.db2.gz PXCHTYJAMTXNCC-UHFFFAOYSA-N -1 3 313.317 2.237 20 5 DEBDHM Cc1cccc(CO[N-]C(=O)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001641574881 1078719030 /nfs/dbraw/zinc/71/90/30/1078719030.db2.gz FERQJVFNEYIGNN-UHFFFAOYSA-N -1 3 301.302 2.089 20 5 DEBDHM CC(C)OCCCNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589747318 1076508180 /nfs/dbraw/zinc/50/81/80/1076508180.db2.gz QPPQADFAFWMLGT-UHFFFAOYSA-N -1 3 324.316 2.141 20 5 DEBDHM CC(C)OCCCNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589747318 1076508184 /nfs/dbraw/zinc/50/81/84/1076508184.db2.gz QPPQADFAFWMLGT-UHFFFAOYSA-N -1 3 324.316 2.141 20 5 DEBDHM C[C@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])CC(F)F ZINC001589875264 1076521570 /nfs/dbraw/zinc/52/15/70/1076521570.db2.gz CSSQUIGSYRVZDZ-ZETCQYMHSA-N -1 3 312.280 2.478 20 5 DEBDHM C[C@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])CC(F)F ZINC001589875264 1076521574 /nfs/dbraw/zinc/52/15/74/1076521574.db2.gz CSSQUIGSYRVZDZ-ZETCQYMHSA-N -1 3 312.280 2.478 20 5 DEBDHM CC1(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCCC1 ZINC001590135925 1076572177 /nfs/dbraw/zinc/57/21/77/1076572177.db2.gz OFSSSSNOMGBYAO-UHFFFAOYSA-N -1 3 303.326 2.162 20 5 DEBDHM CC1(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCCC1 ZINC001590135925 1076572182 /nfs/dbraw/zinc/57/21/82/1076572182.db2.gz OFSSSSNOMGBYAO-UHFFFAOYSA-N -1 3 303.326 2.162 20 5 DEBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCC1(F)F ZINC001590314581 1076610497 /nfs/dbraw/zinc/61/04/97/1076610497.db2.gz JFQKUJMHLIYPCU-MRVPVSSYSA-N -1 3 324.291 2.256 20 5 DEBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCC1(F)F ZINC001590314581 1076610498 /nfs/dbraw/zinc/61/04/98/1076610498.db2.gz JFQKUJMHLIYPCU-MRVPVSSYSA-N -1 3 324.291 2.256 20 5 DEBDHM CC[C@H]1CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCS1 ZINC001590523244 1076647584 /nfs/dbraw/zinc/64/75/84/1076647584.db2.gz VYGKHDHSWFUKEV-VIFPVBQESA-N -1 3 320.378 2.107 20 5 DEBDHM CC[C@H]1CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCS1 ZINC001590523244 1076647586 /nfs/dbraw/zinc/64/75/86/1076647586.db2.gz VYGKHDHSWFUKEV-VIFPVBQESA-N -1 3 320.378 2.107 20 5 DEBDHM CN(Cc1cc(-c2nnn[n-]2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC001591130374 1076711278 /nfs/dbraw/zinc/71/12/78/1076711278.db2.gz HGHJPRYUXPHJJQ-UHFFFAOYSA-N -1 3 316.346 2.473 20 5 DEBDHM CN(Cc1cc(-c2nn[n-]n2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC001591130374 1076711280 /nfs/dbraw/zinc/71/12/80/1076711280.db2.gz HGHJPRYUXPHJJQ-UHFFFAOYSA-N -1 3 316.346 2.473 20 5 DEBDHM Cc1occc1CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001592512437 1076922697 /nfs/dbraw/zinc/92/26/97/1076922697.db2.gz WLIGAARWWOTOCJ-UHFFFAOYSA-N -1 3 300.278 2.288 20 5 DEBDHM Cc1occc1CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001592512437 1076922698 /nfs/dbraw/zinc/92/26/98/1076922698.db2.gz WLIGAARWWOTOCJ-UHFFFAOYSA-N -1 3 300.278 2.288 20 5 DEBDHM Nc1c([N+](=O)[O-])ccc(Oc2ccc(F)cc2)c1-c1nnn[n-]1 ZINC001592758425 1076958120 /nfs/dbraw/zinc/95/81/20/1076958120.db2.gz DITRTPRMBUHWCG-UHFFFAOYSA-N -1 3 316.252 2.289 20 5 DEBDHM Nc1c([N+](=O)[O-])ccc(Oc2ccc(F)cc2)c1-c1nn[n-]n1 ZINC001592758425 1076958122 /nfs/dbraw/zinc/95/81/22/1076958122.db2.gz DITRTPRMBUHWCG-UHFFFAOYSA-N -1 3 316.252 2.289 20 5 DEBDHM O=[N+]([O-])c1cc(N2CCC(CCF)CC2)ccc1-c1nnn[n-]1 ZINC001593472107 1077006655 /nfs/dbraw/zinc/00/66/55/1077006655.db2.gz VFSKUKDSTURNTF-UHFFFAOYSA-N -1 3 320.328 2.351 20 5 DEBDHM O=[N+]([O-])c1cnc(NCC[C@H]2CC=CCC2)c(-c2nnn[n-]2)c1 ZINC001593485577 1077010730 /nfs/dbraw/zinc/01/07/30/1077010730.db2.gz UUCZTTYIJRDEOC-JTQLQIEISA-N -1 3 315.337 2.328 20 5 DEBDHM O=[N+]([O-])c1cnc(NCC[C@H]2CC=CCC2)c(-c2nn[n-]n2)c1 ZINC001593485577 1077010733 /nfs/dbraw/zinc/01/07/33/1077010733.db2.gz UUCZTTYIJRDEOC-JTQLQIEISA-N -1 3 315.337 2.328 20 5 DEBDHM O=[N+]([O-])c1cccc(F)c1OCc1ccccc1-c1nnn[n-]1 ZINC001593483697 1077010927 /nfs/dbraw/zinc/01/09/27/1077010927.db2.gz CXUDJQGZHYPJRJ-UHFFFAOYSA-N -1 3 315.264 2.493 20 5 DEBDHM O=[N+]([O-])c1cccc(F)c1OCc1ccccc1-c1nn[n-]n1 ZINC001593483697 1077010931 /nfs/dbraw/zinc/01/09/31/1077010931.db2.gz CXUDJQGZHYPJRJ-UHFFFAOYSA-N -1 3 315.264 2.493 20 5 DEBDHM COCCC(C)(C)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609321321 1077832717 /nfs/dbraw/zinc/83/27/17/1077832717.db2.gz WKCPQVXFPJRMHU-UHFFFAOYSA-N -1 3 306.326 2.002 20 5 DEBDHM Cc1cc(Oc2ccncc2-c2nnn[n-]2)c(F)cc1[N+](=O)[O-] ZINC001609411542 1077853471 /nfs/dbraw/zinc/85/34/71/1077853471.db2.gz NBTRCXSFKUVESX-UHFFFAOYSA-N -1 3 316.252 2.410 20 5 DEBDHM Cc1ccoc1CN(C)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001609439579 1077860053 /nfs/dbraw/zinc/86/00/53/1077860053.db2.gz QNZKKKVXZDXPHJ-UHFFFAOYSA-N -1 3 314.305 2.313 20 5 DEBDHM Cc1ccoc1CN(C)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609439579 1077860055 /nfs/dbraw/zinc/86/00/55/1077860055.db2.gz QNZKKKVXZDXPHJ-UHFFFAOYSA-N -1 3 314.305 2.313 20 5 DEBDHM Cc1nc(Sc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[nH]c1C ZINC001609454255 1077863128 /nfs/dbraw/zinc/86/31/28/1077863128.db2.gz UZUYNFMFMAUYQU-UHFFFAOYSA-N -1 3 317.334 2.266 20 5 DEBDHM Cc1nc(Sc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[nH]c1C ZINC001609454255 1077863129 /nfs/dbraw/zinc/86/31/29/1077863129.db2.gz UZUYNFMFMAUYQU-UHFFFAOYSA-N -1 3 317.334 2.266 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001609600095 1077881486 /nfs/dbraw/zinc/88/14/86/1077881486.db2.gz PWWSRGXUBZUSPK-INTQDDNPSA-N -1 3 300.322 2.375 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001609600095 1077881488 /nfs/dbraw/zinc/88/14/88/1077881488.db2.gz PWWSRGXUBZUSPK-INTQDDNPSA-N -1 3 300.322 2.375 20 5 DEBDHM CCOc1cc(NCc2nc(C)cc(=O)[n-]2)ccc1[N+](=O)[O-] ZINC001652001997 1079845418 /nfs/dbraw/zinc/84/54/18/1079845418.db2.gz OOSQEHUQDZRTRK-UHFFFAOYSA-N -1 3 304.306 2.410 20 5 DEBDHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccc([N+](=O)[O-])s1 ZINC000590557789 357557529 /nfs/dbraw/zinc/55/75/29/357557529.db2.gz JVYIFEWSEWGYFE-UHFFFAOYSA-N -1 3 304.287 2.491 20 5 DEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCS[C@H]1C ZINC000592115181 357833549 /nfs/dbraw/zinc/83/35/49/357833549.db2.gz RWQRWSAQVCZNLN-VHSXEESVSA-N -1 3 316.404 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Cc1ccc(CN2CCC[C@H](c3n[n-]c(=O)o3)C2)cc1[N+](=O)[O-] ZINC001617621372 1078145865 /nfs/dbraw/zinc/14/58/65/1078145865.db2.gz WJAMMUKJPNMVOT-LBPRGKRZSA-N -1 3 318.333 2.371 20 5 DEBDHM Nc1c(C(=O)[N-]c2cnoc2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001546263012 1066544260 /nfs/dbraw/zinc/54/42/60/1066544260.db2.gz DGPCINURDQNSGI-UHFFFAOYSA-N -1 3 300.633 2.210 20 5 DEBDHM COC(=O)c1ccnc(NCc2ccc([O-])c(F)c2)c1[N+](=O)[O-] ZINC001642310401 1078749841 /nfs/dbraw/zinc/74/98/41/1078749841.db2.gz VSURLTIIKXMYTD-UHFFFAOYSA-N -1 3 321.264 2.233 20 5 DEBDHM O=[N+]([O-])c1ccc(N2CCC(c3nnn[n-]3)CC2)c(C(F)F)c1 ZINC001643074931 1078782578 /nfs/dbraw/zinc/78/25/78/1078782578.db2.gz NKWJDYXTKJMJMW-UHFFFAOYSA-N -1 3 324.291 2.430 20 5 DEBDHM O=[N+]([O-])c1ccc(N2CCC(c3nn[n-]n3)CC2)c(C(F)F)c1 ZINC001643074931 1078782579 /nfs/dbraw/zinc/78/25/79/1078782579.db2.gz NKWJDYXTKJMJMW-UHFFFAOYSA-N -1 3 324.291 2.430 20 5 DEBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1cc2ncccn2n1 ZINC001518875844 1069020235 /nfs/dbraw/zinc/02/02/35/1069020235.db2.gz TYHCWHOSIAYDBG-UHFFFAOYSA-N -1 3 315.264 2.337 20 5 DEBDHM COC(=O)c1ccnc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c1 ZINC001521909253 1069281303 /nfs/dbraw/zinc/28/13/03/1069281303.db2.gz ADFGWAWTTPUHNS-UHFFFAOYSA-N -1 3 319.248 2.168 20 5 DEBDHM C[C@](O)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1cccc(F)c1 ZINC001559284015 1075118298 /nfs/dbraw/zinc/11/82/98/1075118298.db2.gz JLVJROBMFTUZIV-AWEZNQCLSA-N -1 3 307.281 2.154 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCCc1cccs1 ZINC001582804189 1076185430 /nfs/dbraw/zinc/18/54/30/1076185430.db2.gz MSNLAVLDKCUMIK-UHFFFAOYSA-N -1 3 316.346 2.491 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCCc1cccs1 ZINC001582804189 1076185433 /nfs/dbraw/zinc/18/54/33/1076185433.db2.gz MSNLAVLDKCUMIK-UHFFFAOYSA-N -1 3 316.346 2.491 20 5 DEBDHM O=[N+]([O-])c1cccnc1Sc1cccc(F)c1-c1nnn[n-]1 ZINC001582804971 1076185499 /nfs/dbraw/zinc/18/54/99/1076185499.db2.gz TYJYSWOPQFRHEE-UHFFFAOYSA-N -1 3 318.293 2.460 20 5 DEBDHM C[C@@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])CC(F)F ZINC001589875262 1076521132 /nfs/dbraw/zinc/52/11/32/1076521132.db2.gz CSSQUIGSYRVZDZ-SSDOTTSWSA-N -1 3 312.280 2.478 20 5 DEBDHM C[C@@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])CC(F)F ZINC001589875262 1076521138 /nfs/dbraw/zinc/52/11/38/1076521138.db2.gz CSSQUIGSYRVZDZ-SSDOTTSWSA-N -1 3 312.280 2.478 20 5 DEBDHM C[C@@H]1CCC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H]1C ZINC001590251244 1076600037 /nfs/dbraw/zinc/60/00/37/1076600037.db2.gz HGFUTWUIAAOIDZ-WCABBAIRSA-N -1 3 317.353 2.407 20 5 DEBDHM C[C@@H]1CCC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@H]1C ZINC001590251244 1076600041 /nfs/dbraw/zinc/60/00/41/1076600041.db2.gz HGFUTWUIAAOIDZ-WCABBAIRSA-N -1 3 317.353 2.407 20 5 DEBDHM C[C@H]1CCCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590253370 1076601157 /nfs/dbraw/zinc/60/11/57/1076601157.db2.gz DPUJOTSJHMXQGN-JTQLQIEISA-N -1 3 302.338 2.401 20 5 DEBDHM C[C@H]1CCCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590253370 1076601158 /nfs/dbraw/zinc/60/11/58/1076601158.db2.gz DPUJOTSJHMXQGN-JTQLQIEISA-N -1 3 302.338 2.401 20 5 DEBDHM C[C@@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001590255309 1076602497 /nfs/dbraw/zinc/60/24/97/1076602497.db2.gz UTAJSSKSNBKYID-RKDXNWHRSA-N -1 3 303.326 2.161 20 5 DEBDHM C[C@@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001590255309 1076602499 /nfs/dbraw/zinc/60/24/99/1076602499.db2.gz UTAJSSKSNBKYID-RKDXNWHRSA-N -1 3 303.326 2.161 20 5 DEBDHM C[C@@H]1CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C[C@H](C)S1 ZINC001590315391 1076610093 /nfs/dbraw/zinc/61/00/93/1076610093.db2.gz YQFXZURXWKVEAW-DTORHVGOSA-N -1 3 320.378 2.105 20 5 DEBDHM C[C@@H]1CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C[C@H](C)S1 ZINC001590315391 1076610098 /nfs/dbraw/zinc/61/00/98/1076610098.db2.gz YQFXZURXWKVEAW-DTORHVGOSA-N -1 3 320.378 2.105 20 5 DEBDHM CC[C@@](C)(CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])OC ZINC001590381873 1076618521 /nfs/dbraw/zinc/61/85/21/1076618521.db2.gz OFGJFKAYGGQUND-ZDUSSCGKSA-N -1 3 306.326 2.002 20 5 DEBDHM CC[C@@](C)(CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])OC ZINC001590381873 1076618522 /nfs/dbraw/zinc/61/85/22/1076618522.db2.gz OFGJFKAYGGQUND-ZDUSSCGKSA-N -1 3 306.326 2.002 20 5 DEBDHM CC[C@@H]1C[C@@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCO1 ZINC001590503725 1076642532 /nfs/dbraw/zinc/64/25/32/1076642532.db2.gz AQTWQUQZKKFWLV-VHSXEESVSA-N -1 3 318.337 2.144 20 5 DEBDHM CC[C@@H]1C[C@@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCO1 ZINC001590503725 1076642534 /nfs/dbraw/zinc/64/25/34/1076642534.db2.gz AQTWQUQZKKFWLV-VHSXEESVSA-N -1 3 318.337 2.144 20 5 DEBDHM CCN(CC)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001590688558 1076668613 /nfs/dbraw/zinc/66/86/13/1076668613.db2.gz RWTSWPVMFZUPFF-UHFFFAOYSA-N -1 3 313.321 2.169 20 5 DEBDHM CCN(CC)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001590688558 1076668617 /nfs/dbraw/zinc/66/86/17/1076668617.db2.gz RWTSWPVMFZUPFF-UHFFFAOYSA-N -1 3 313.321 2.169 20 5 DEBDHM CN(CCC(C)(C)C)c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591064898 1076708591 /nfs/dbraw/zinc/70/85/91/1076708591.db2.gz YKZOUMXSPJETPR-UHFFFAOYSA-N -1 3 305.342 2.042 20 5 DEBDHM CN(CCC(C)(C)C)c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591064898 1076708595 /nfs/dbraw/zinc/70/85/95/1076708595.db2.gz YKZOUMXSPJETPR-UHFFFAOYSA-N -1 3 305.342 2.042 20 5 DEBDHM CON(Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])CC(C)(C)C ZINC001591465078 1076746371 /nfs/dbraw/zinc/74/63/71/1076746371.db2.gz ONDPYOPDHZGDPS-UHFFFAOYSA-N -1 3 320.353 2.184 20 5 DEBDHM CON(Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])CC(C)(C)C ZINC001591465078 1076746377 /nfs/dbraw/zinc/74/63/77/1076746377.db2.gz ONDPYOPDHZGDPS-UHFFFAOYSA-N -1 3 320.353 2.184 20 5 DEBDHM CSC(C)(C)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591684959 1076771319 /nfs/dbraw/zinc/77/13/19/1076771319.db2.gz JIHJPCVUPJDVHY-UHFFFAOYSA-N -1 3 308.367 2.328 20 5 DEBDHM CSC(C)(C)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591684959 1076771323 /nfs/dbraw/zinc/77/13/23/1076771323.db2.gz JIHJPCVUPJDVHY-UHFFFAOYSA-N -1 3 308.367 2.328 20 5 DEBDHM Cc1cc(N2C[C@H]3CCCC[C@H]32)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592010822 1076829981 /nfs/dbraw/zinc/82/99/81/1076829981.db2.gz NDWNEUDXLJNFBZ-ZYHUDNBSSA-N -1 3 314.349 2.462 20 5 DEBDHM Cc1cc(N2C[C@H]3CCCC[C@H]32)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592010822 1076829989 /nfs/dbraw/zinc/82/99/89/1076829989.db2.gz NDWNEUDXLJNFBZ-ZYHUDNBSSA-N -1 3 314.349 2.462 20 5 DEBDHM Cc1cc(NCCC(F)(F)F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592045890 1076836736 /nfs/dbraw/zinc/83/67/36/1076836736.db2.gz KGWVJULIPDIKKR-UHFFFAOYSA-N -1 3 316.243 2.448 20 5 DEBDHM Cc1cc(NCCC(F)(F)F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592045890 1076836740 /nfs/dbraw/zinc/83/67/40/1076836740.db2.gz KGWVJULIPDIKKR-UHFFFAOYSA-N -1 3 316.243 2.448 20 5 DEBDHM Cc1cc(Oc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])ccc1F ZINC001592063725 1076843469 /nfs/dbraw/zinc/84/34/69/1076843469.db2.gz WGKOGJWEICYBDV-UHFFFAOYSA-N -1 3 316.252 2.410 20 5 DEBDHM Cc1cc(Oc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])ccc1F ZINC001592063725 1076843473 /nfs/dbraw/zinc/84/34/73/1076843473.db2.gz WGKOGJWEICYBDV-UHFFFAOYSA-N -1 3 316.252 2.410 20 5 DEBDHM Cc1ccc(CCNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])o1 ZINC001592151810 1076859728 /nfs/dbraw/zinc/85/97/28/1076859728.db2.gz YYGBNQGJHCLVSK-UHFFFAOYSA-N -1 3 314.305 2.331 20 5 DEBDHM Cc1ccc(CCNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])o1 ZINC001592151810 1076859732 /nfs/dbraw/zinc/85/97/32/1076859732.db2.gz YYGBNQGJHCLVSK-UHFFFAOYSA-N -1 3 314.305 2.331 20 5 DEBDHM Cc1ccc(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])o1 ZINC001592166759 1076865438 /nfs/dbraw/zinc/86/54/38/1076865438.db2.gz GHZHEXZCDWHHIQ-UHFFFAOYSA-N -1 3 300.278 2.288 20 5 DEBDHM Cc1ccc(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])o1 ZINC001592166759 1076865444 /nfs/dbraw/zinc/86/54/44/1076865444.db2.gz GHZHEXZCDWHHIQ-UHFFFAOYSA-N -1 3 300.278 2.288 20 5 DEBDHM Cc1ccc(CNc2ccc([N+](=O)[O-])cn2)cc1-c1nnn[n-]1 ZINC001592166876 1076865466 /nfs/dbraw/zinc/86/54/66/1076865466.db2.gz LXXHMFZMQDFURM-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1ccc(CNc2ccc([N+](=O)[O-])cn2)cc1-c1nn[n-]n1 ZINC001592166876 1076865470 /nfs/dbraw/zinc/86/54/70/1076865470.db2.gz LXXHMFZMQDFURM-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NC[C@H]1C=CCC1 ZINC001593468411 1077005430 /nfs/dbraw/zinc/00/54/30/1077005430.db2.gz KPOBCRMYPDKXDQ-QMMMGPOBSA-N -1 3 304.285 2.292 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NC[C@H]1C=CCC1 ZINC001593468411 1077005433 /nfs/dbraw/zinc/00/54/33/1077005433.db2.gz KPOBCRMYPDKXDQ-QMMMGPOBSA-N -1 3 304.285 2.292 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CS[C@H]1CCCOC1 ZINC001593467547 1077005669 /nfs/dbraw/zinc/00/56/69/1077005669.db2.gz BLRFXALPNQATEV-NSHDSACASA-N -1 3 321.362 2.187 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CS[C@H]1CCCOC1 ZINC001593467547 1077005674 /nfs/dbraw/zinc/00/56/74/1077005674.db2.gz BLRFXALPNQATEV-NSHDSACASA-N -1 3 321.362 2.187 20 5 DEBDHM O=[N+]([O-])c1cc(NCC2CC(F)(F)C2)ccc1-c1nnn[n-]1 ZINC001593473547 1077006507 /nfs/dbraw/zinc/00/65/07/1077006507.db2.gz HPDHXMBWIGRXLS-UHFFFAOYSA-N -1 3 310.264 2.232 20 5 DEBDHM O=[N+]([O-])c1cc(N[C@H]2C[C@@H]2c2cccnc2)ccc1-c1nnn[n-]1 ZINC001593473497 1077006577 /nfs/dbraw/zinc/00/65/77/1077006577.db2.gz FSUPMSSXVZAESY-OLZOCXBDSA-N -1 3 323.316 2.138 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1C[C@H]2CCC[C@H]21 ZINC001593470846 1077006901 /nfs/dbraw/zinc/00/69/01/1077006901.db2.gz ONYPBRXJZFBOSV-HLUHBDAQSA-N -1 3 300.322 2.375 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1C[C@H]2CCC[C@H]21 ZINC001593470846 1077006906 /nfs/dbraw/zinc/00/69/06/1077006906.db2.gz ONYPBRXJZFBOSV-HLUHBDAQSA-N -1 3 300.322 2.375 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1CCC[C@@H](F)C1 ZINC001593471872 1077007300 /nfs/dbraw/zinc/00/73/00/1077007300.db2.gz VOUSIMPQVDOMNQ-ZJUUUORDSA-N -1 3 306.301 2.468 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H]1CCC[C@@H](F)C1 ZINC001593471872 1077007304 /nfs/dbraw/zinc/00/73/04/1077007304.db2.gz VOUSIMPQVDOMNQ-ZJUUUORDSA-N -1 3 306.301 2.468 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1CCC2(CCC2)C1 ZINC001593469572 1077007328 /nfs/dbraw/zinc/00/73/28/1077007328.db2.gz WNTMJGWHGHJGPL-UHFFFAOYSA-N -1 3 318.312 2.294 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1CCC2(CCC2)C1 ZINC001593469572 1077007332 /nfs/dbraw/zinc/00/73/32/1077007332.db2.gz WNTMJGWHGHJGPL-UHFFFAOYSA-N -1 3 318.312 2.294 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCC[C@@H]1CCSC1 ZINC001593474310 1077008811 /nfs/dbraw/zinc/00/88/11/1077008811.db2.gz BSAZMXKEVFDJQF-SECBINFHSA-N -1 3 320.378 2.330 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCC[C@@H]1CCSC1 ZINC001593474310 1077008815 /nfs/dbraw/zinc/00/88/15/1077008815.db2.gz BSAZMXKEVFDJQF-SECBINFHSA-N -1 3 320.378 2.330 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1Nc1cccc(CO)c1 ZINC001593475459 1077008923 /nfs/dbraw/zinc/00/89/23/1077008923.db2.gz PKWWKFWKSIPJDQ-UHFFFAOYSA-N -1 3 312.289 2.011 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1Nc1cccc(CO)c1 ZINC001593475459 1077008927 /nfs/dbraw/zinc/00/89/27/1077008927.db2.gz PKWWKFWKSIPJDQ-UHFFFAOYSA-N -1 3 312.289 2.011 20 5 DEBDHM O=[N+]([O-])c1ccc(OCc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC001593482393 1077009740 /nfs/dbraw/zinc/00/97/40/1077009740.db2.gz RHAZFYOHFQPOSI-UHFFFAOYSA-N -1 3 315.264 2.493 20 5 DEBDHM O=[N+]([O-])c1ccc(OCc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC001593482393 1077009743 /nfs/dbraw/zinc/00/97/43/1077009743.db2.gz RHAZFYOHFQPOSI-UHFFFAOYSA-N -1 3 315.264 2.493 20 5 DEBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCCC[C@H]2F)c(-c2nnn[n-]2)c1 ZINC001593482753 1077010046 /nfs/dbraw/zinc/01/00/46/1077010046.db2.gz VIKJJHLWZSWYTK-ZYHUDNBSSA-N -1 3 306.301 2.468 20 5 DEBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCCC[C@H]2F)c(-c2nn[n-]n2)c1 ZINC001593482753 1077010051 /nfs/dbraw/zinc/01/00/51/1077010051.db2.gz VIKJJHLWZSWYTK-ZYHUDNBSSA-N -1 3 306.301 2.468 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCC(C(F)F)CC1 ZINC001593482057 1077010095 /nfs/dbraw/zinc/01/00/95/1077010095.db2.gz WLMLPJCJUVYVTF-UHFFFAOYSA-N -1 3 324.291 2.256 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCC(C(F)F)CC1 ZINC001593482057 1077010096 /nfs/dbraw/zinc/01/00/96/1077010096.db2.gz WLMLPJCJUVYVTF-UHFFFAOYSA-N -1 3 324.291 2.256 20 5 DEBDHM O=[N+]([O-])c1cccc(CSc2cc(-c3nnn[n-]3)ccn2)c1 ZINC001593484332 1077011417 /nfs/dbraw/zinc/01/14/17/1077011417.db2.gz WEUNGFCVCDWIMO-UHFFFAOYSA-N -1 3 314.330 2.462 20 5 DEBDHM O=[N+]([O-])c1cccc(CSc2cc(-c3nn[n-]n3)ccn2)c1 ZINC001593484332 1077011420 /nfs/dbraw/zinc/01/14/20/1077011420.db2.gz WEUNGFCVCDWIMO-UHFFFAOYSA-N -1 3 314.330 2.462 20 5 DEBDHM C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001609167261 1077781600 /nfs/dbraw/zinc/78/16/00/1077781600.db2.gz SSIOPRPQQDYPKF-JTQLQIEISA-N -1 3 302.338 2.401 20 5 DEBDHM C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001609167261 1077781606 /nfs/dbraw/zinc/78/16/06/1077781606.db2.gz SSIOPRPQQDYPKF-JTQLQIEISA-N -1 3 302.338 2.401 20 5 DEBDHM C[C@@H]1[C@@H](C)[C@H](C)CN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609175261 1077784888 /nfs/dbraw/zinc/78/48/88/1077784888.db2.gz LTOQFRFRPMFXSJ-KXUCPTDWSA-N -1 3 302.338 2.256 20 5 DEBDHM C[C@@H]1[C@@H](C)[C@H](C)CN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609175261 1077784893 /nfs/dbraw/zinc/78/48/93/1077784893.db2.gz LTOQFRFRPMFXSJ-KXUCPTDWSA-N -1 3 302.338 2.256 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCC1CC(F)(F)C1 ZINC001609600189 1077881259 /nfs/dbraw/zinc/88/12/59/1077881259.db2.gz VVSRHEHJSMZOLH-UHFFFAOYSA-N -1 3 310.264 2.232 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCC1CC(F)(F)C1 ZINC001609600189 1077881265 /nfs/dbraw/zinc/88/12/65/1077881265.db2.gz VVSRHEHJSMZOLH-UHFFFAOYSA-N -1 3 310.264 2.232 20 5 DEBDHM O=[N+]([O-])c1cc(N[C@H]2CCCC2(F)F)ccc1-c1nnn[n-]1 ZINC001609600844 1077881470 /nfs/dbraw/zinc/88/14/70/1077881470.db2.gz GYVBFCLPRFZQHK-JTQLQIEISA-N -1 3 310.264 2.375 20 5 DEBDHM O=c1[n-]ccc(NCc2ccc(-n3ccnc3)cc2)c1[N+](=O)[O-] ZINC001651450999 1079812246 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309.278 2.147 20 5 DEBDHM O=c1[n-]ccc(NCc2noc(-c3cccs3)n2)c1[N+](=O)[O-] ZINC001642565544 1078759889 /nfs/dbraw/zinc/75/98/89/1078759889.db2.gz QIZIJDNRXQKNQN-UHFFFAOYSA-N -1 3 319.302 2.419 20 5 DEBDHM CC(C)c1nsc([N-]C(=O)c2c(N)cccc2[N+](=O)[O-])n1 ZINC001644918902 1078869120 /nfs/dbraw/zinc/86/91/20/1078869120.db2.gz UYVKWKMMZBPNOO-UHFFFAOYSA-N -1 3 307.335 2.404 20 5 DEBDHM CCc1[nH]nc(C(=O)[N-]c2nc(C(C)(C)C)co2)c1[N+](=O)[O-] ZINC001647894943 1074983852 /nfs/dbraw/zinc/98/38/52/1074983852.db2.gz NCUPDUSGKGQCRJ-UHFFFAOYSA-N -1 3 307.310 2.418 20 5 DEBDHM Cc1ccc(NC(=O)/C=C/c2cncc([O-])c2)c(N)c1[N+](=O)[O-] ZINC001558676318 1075102175 /nfs/dbraw/zinc/10/21/75/1075102175.db2.gz VXPKQHPHHJJMNH-HWKANZROSA-N -1 3 314.301 2.238 20 5 DEBDHM CCCC[C@H](CC)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001561114879 1075151369 /nfs/dbraw/zinc/15/13/69/1075151369.db2.gz XDNUMMARFPKRCC-NSHDSACASA-N -1 3 315.395 2.485 20 5 DEBDHM CC1(C)SC[C@H]1Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590119034 1076567099 /nfs/dbraw/zinc/56/70/99/1076567099.db2.gz XKEZPEDFJFGXHH-SECBINFHSA-N -1 3 306.351 2.081 20 5 DEBDHM CC1(C)SC[C@H]1Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590119034 1076567103 /nfs/dbraw/zinc/56/71/03/1076567103.db2.gz XKEZPEDFJFGXHH-SECBINFHSA-N -1 3 306.351 2.081 20 5 DEBDHM CC1(C)SC[C@@H]1Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590117226 1076567144 /nfs/dbraw/zinc/56/71/44/1076567144.db2.gz JBUMZVPFNCITGZ-JTQLQIEISA-N -1 3 306.351 2.081 20 5 DEBDHM CC1(C)SC[C@@H]1Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590117226 1076567148 /nfs/dbraw/zinc/56/71/48/1076567148.db2.gz JBUMZVPFNCITGZ-JTQLQIEISA-N -1 3 306.351 2.081 20 5 DEBDHM CC1=CCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001590161555 1076575453 /nfs/dbraw/zinc/57/54/53/1076575453.db2.gz OWSOYEBEJFNBCF-UHFFFAOYSA-N -1 3 304.285 2.070 20 5 DEBDHM CC1=CCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001590161555 1076575455 /nfs/dbraw/zinc/57/54/55/1076575455.db2.gz OWSOYEBEJFNBCF-UHFFFAOYSA-N -1 3 304.285 2.070 20 5 DEBDHM C[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCS1 ZINC001590205921 1076582741 /nfs/dbraw/zinc/58/27/41/1076582741.db2.gz FMYRZLBARYUXTN-WPRPVWTQSA-N -1 3 320.378 2.471 20 5 DEBDHM C[C@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCS1 ZINC001590205921 1076582746 /nfs/dbraw/zinc/58/27/46/1076582746.db2.gz FMYRZLBARYUXTN-WPRPVWTQSA-N -1 3 320.378 2.471 20 5 DEBDHM C[C@H]1SCC[C@H]1Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590338681 1076613346 /nfs/dbraw/zinc/61/33/46/1076613346.db2.gz VMJPIYBGLHSZRL-GMSGAONNSA-N -1 3 306.351 2.081 20 5 DEBDHM C[C@@H]1OCC[C@@H]1SCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590339354 1076613534 /nfs/dbraw/zinc/61/35/34/1076613534.db2.gz WCTVRFBFJXSRLS-UFBFGSQYSA-N -1 3 321.362 2.186 20 5 DEBDHM C[C@@H]1OCC[C@@H]1SCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590339354 1076613536 /nfs/dbraw/zinc/61/35/36/1076613536.db2.gz WCTVRFBFJXSRLS-UFBFGSQYSA-N -1 3 321.362 2.186 20 5 DEBDHM C/C=C(\CC)C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590351511 1076614762 /nfs/dbraw/zinc/61/47/62/1076614762.db2.gz GWIYHKDNLPJPQB-YCRREMRBSA-N -1 3 317.305 2.174 20 5 DEBDHM C/C=C(\CC)C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590351511 1076614764 /nfs/dbraw/zinc/61/47/64/1076614764.db2.gz GWIYHKDNLPJPQB-YCRREMRBSA-N -1 3 317.305 2.174 20 5 DEBDHM CCCC1(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001590565717 1076653988 /nfs/dbraw/zinc/65/39/88/1076653988.db2.gz RDSVKGOQXDAOIO-UHFFFAOYSA-N -1 3 303.326 2.162 20 5 DEBDHM CCCC1(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001590565717 1076653991 /nfs/dbraw/zinc/65/39/91/1076653991.db2.gz RDSVKGOQXDAOIO-UHFFFAOYSA-N -1 3 303.326 2.162 20 5 DEBDHM CCN(CC1CCC1)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590691032 1076670133 /nfs/dbraw/zinc/67/01/33/1076670133.db2.gz CDWAVRHIBUVXFR-UHFFFAOYSA-N -1 3 302.338 2.401 20 5 DEBDHM COCCCCSCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591413345 1076742698 /nfs/dbraw/zinc/74/26/98/1076742698.db2.gz PILULUIEECYNAJ-UHFFFAOYSA-N -1 3 323.378 2.435 20 5 DEBDHM COCCCCSCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591413345 1076742702 /nfs/dbraw/zinc/74/27/02/1076742702.db2.gz PILULUIEECYNAJ-UHFFFAOYSA-N -1 3 323.378 2.435 20 5 DEBDHM CSCC[C@@H](C)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591699399 1076776144 /nfs/dbraw/zinc/77/61/44/1076776144.db2.gz IEMRBWOAGSGQLG-MRVPVSSYSA-N -1 3 308.367 2.328 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NC[C@@H]1CCCC12CC2 ZINC001593471001 1077006561 /nfs/dbraw/zinc/00/65/61/1077006561.db2.gz LMIDLSHLIIDMQZ-JTQLQIEISA-N -1 3 315.337 2.162 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NC[C@@H]1CCCC12CC2 ZINC001593471001 1077006566 /nfs/dbraw/zinc/00/65/66/1077006566.db2.gz LMIDLSHLIIDMQZ-JTQLQIEISA-N -1 3 315.337 2.162 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1C[C@@H]1c1cccnc1 ZINC001593471355 1077007407 /nfs/dbraw/zinc/00/74/07/1077007407.db2.gz UHAMUIBBDSAMBB-YPMHNXCESA-N -1 3 323.316 2.138 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H]1C[C@@H]1c1cccnc1 ZINC001593471355 1077007413 /nfs/dbraw/zinc/00/74/13/1077007413.db2.gz UHAMUIBBDSAMBB-YPMHNXCESA-N -1 3 323.316 2.138 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCC[C@H]1CCSC1 ZINC001593474311 1077008437 /nfs/dbraw/zinc/00/84/37/1077008437.db2.gz BSAZMXKEVFDJQF-VIFPVBQESA-N -1 3 320.378 2.330 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCC[C@H]1CCSC1 ZINC001593474311 1077008442 /nfs/dbraw/zinc/00/84/42/1077008442.db2.gz BSAZMXKEVFDJQF-VIFPVBQESA-N -1 3 320.378 2.330 20 5 DEBDHM O=[N+]([O-])c1ccc(NCCc2ccco2)c(-c2nnn[n-]2)c1 ZINC001593478332 1077010332 /nfs/dbraw/zinc/01/03/32/1077010332.db2.gz CAYUEKMSGOADIP-UHFFFAOYSA-N -1 3 300.278 2.023 20 5 DEBDHM O=[N+]([O-])c1ccc(NCCc2ccco2)c(-c2nn[n-]n2)c1 ZINC001593478332 1077010337 /nfs/dbraw/zinc/01/03/37/1077010337.db2.gz CAYUEKMSGOADIP-UHFFFAOYSA-N -1 3 300.278 2.023 20 5 DEBDHM O=[N+]([O-])c1ncccc1Sc1ccc(-c2nnn[n-]2)cc1 ZINC001593488472 1077011539 /nfs/dbraw/zinc/01/15/39/1077011539.db2.gz YQBTXWFDAMJDMB-UHFFFAOYSA-N -1 3 300.303 2.321 20 5 DEBDHM O=[N+]([O-])c1ncccc1Sc1ccc(-c2nn[n-]n2)cc1 ZINC001593488472 1077011544 /nfs/dbraw/zinc/01/15/44/1077011544.db2.gz YQBTXWFDAMJDMB-UHFFFAOYSA-N -1 3 300.303 2.321 20 5 DEBDHM O=C([O-])[C@]12C[C@H]1C[C@H](NCc1nc3cc([N+](=O)[O-])ccc3o1)C2 ZINC001602208021 1077525342 /nfs/dbraw/zinc/52/53/42/1077525342.db2.gz OYGKMDZSOCQIKB-OLBFVZFUSA-N -1 3 317.301 2.079 20 5 DEBDHM CCC[C@](C)(O)CNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609203879 1077797906 /nfs/dbraw/zinc/79/79/06/1077797906.db2.gz GPVGBLYHPIELKW-AWEZNQCLSA-N -1 3 320.353 2.046 20 5 DEBDHM CCC[C@](C)(O)CNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609203879 1077797908 /nfs/dbraw/zinc/79/79/08/1077797908.db2.gz GPVGBLYHPIELKW-AWEZNQCLSA-N -1 3 320.353 2.046 20 5 DEBDHM CS[C@@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001609369742 1077842380 /nfs/dbraw/zinc/84/23/80/1077842380.db2.gz KSDNAUCBVQYHBK-PSASIEDQSA-N -1 3 320.378 2.471 20 5 DEBDHM Cc1cc(N2CC[C@H](C)[C@H](F)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609404980 1077851625 /nfs/dbraw/zinc/85/16/25/1077851625.db2.gz ROICJIYEKDUFQI-GZMMTYOYSA-N -1 3 320.328 2.268 20 5 DEBDHM Cc1cc(N2CC[C@H](C)[C@H](F)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609404980 1077851628 /nfs/dbraw/zinc/85/16/28/1077851628.db2.gz ROICJIYEKDUFQI-GZMMTYOYSA-N -1 3 320.328 2.268 20 5 DEBDHM COc1ccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1NC(C)=O ZINC001651352820 1079804931 /nfs/dbraw/zinc/80/49/31/1079804931.db2.gz OJFCKCYOABYRBZ-UHFFFAOYSA-N -1 3 318.289 2.406 20 5 DEBDHM Cc1[n-][nH]c(=O)c1CCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC001651535555 1079818120 /nfs/dbraw/zinc/81/81/20/1079818120.db2.gz QZWYDZXIKNGIOD-NSHDSACASA-N -1 3 313.317 2.067 20 5 DEBDHM COc1cncc(NCc2ccc([O-])c(OC)c2[N+](=O)[O-])c1 ZINC001658692490 1080214714 /nfs/dbraw/zinc/21/47/14/1080214714.db2.gz DIKIEOATVQVIDI-UHFFFAOYSA-N -1 3 305.290 2.325 20 5 DEBDHM CC/C(C)=C/C(=O)NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107159533 1080656289 /nfs/dbraw/zinc/65/62/89/1080656289.db2.gz GTBZKEZMHSCTFJ-PMXBNEBOSA-N -1 3 320.349 2.136 20 5 DEBDHM Cc1cc(C)c(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 ZINC001669721949 1081464757 /nfs/dbraw/zinc/46/47/57/1081464757.db2.gz XHFILMAVKIBHGP-UHFFFAOYSA-N -1 3 321.358 2.085 20 5 DEBDHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCc2cc(F)ccc21 ZINC001291691841 1146845960 /nfs/dbraw/zinc/84/59/60/1146845960.db2.gz IJFZZIWMRYIDAB-UHFFFAOYSA-N -1 3 317.276 2.428 20 5 DEBDHM CC(C)(C)OC(=O)[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001307188332 1147404232 /nfs/dbraw/zinc/40/42/32/1147404232.db2.gz HIWJJHKIVCABJY-DTORHVGOSA-N -1 3 309.322 2.228 20 5 DEBDHM COc1ccc([C@H]2CCCN2c2cc[n-]c(=O)c2[N+](=O)[O-])nc1 ZINC001307229752 1147409451 /nfs/dbraw/zinc/40/94/51/1147409451.db2.gz GQQVBXGFACBEBW-GFCCVEGCSA-N -1 3 316.317 2.441 20 5 DEBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC001309386429 1147499929 /nfs/dbraw/zinc/49/99/29/1147499929.db2.gz LBWIIOYWBXJCSN-LLVKDONJSA-N -1 3 321.358 2.072 20 5 DEBDHM CC(C)(NCc1ccc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC000087624707 185229540 /nfs/dbraw/zinc/22/95/40/185229540.db2.gz KGLDBJUIQDKLAB-UHFFFAOYSA-N -1 3 317.139 2.310 20 5 DEBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1(C)CCC1 ZINC000175695126 186189084 /nfs/dbraw/zinc/18/90/84/186189084.db2.gz LVEQZKUKEQNIKQ-UHFFFAOYSA-N -1 3 314.363 2.072 20 5 DEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC1CCCC1 ZINC000032434044 354149019 /nfs/dbraw/zinc/14/90/19/354149019.db2.gz BOWRBDULUUIBAR-UHFFFAOYSA-N -1 3 314.363 2.072 20 5 DEBDHM CCc1nnc([N-]C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)s1 ZINC000045317237 354253403 /nfs/dbraw/zinc/25/34/03/354253403.db2.gz ZEDKJJDCIZGWJV-UHFFFAOYSA-N -1 3 318.318 2.137 20 5 DEBDHM Cc1nn(C)c(C)c1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000046321371 354279930 /nfs/dbraw/zinc/27/99/30/354279930.db2.gz SOAAIVKBEQVIJA-UHFFFAOYSA-N -1 3 314.305 2.074 20 5 DEBDHM COCc1nc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2OC)cs1 ZINC000065050530 354677302 /nfs/dbraw/zinc/67/73/02/354677302.db2.gz XWDGPYCREOCQSP-UHFFFAOYSA-N -1 3 323.330 2.459 20 5 DEBDHM C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[C@@H]1C(=O)[O-] ZINC000593748752 358136260 /nfs/dbraw/zinc/13/62/60/358136260.db2.gz RXNRCVOCOVMRDH-FZMZJTMJSA-N -1 3 308.334 2.016 20 5 DEBDHM C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[C@@H]1C(=O)[O-] ZINC000593748753 358136330 /nfs/dbraw/zinc/13/63/30/358136330.db2.gz RXNRCVOCOVMRDH-RISCZKNCSA-N -1 3 308.334 2.016 20 5 DEBDHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C1CC1 ZINC000594858190 358349559 /nfs/dbraw/zinc/34/95/59/358349559.db2.gz RMXBDWSMVMBXON-VIFPVBQESA-N -1 3 304.393 2.432 20 5 DEBDHM CN(C)c1cccc(CN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC000596168879 358628645 /nfs/dbraw/zinc/62/86/45/358628645.db2.gz ZBIPJMRSLPBOMP-UHFFFAOYSA-N -1 3 302.334 2.398 20 5 DEBDHM CC(C)Oc1cc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])ccn1 ZINC000596174099 358629563 /nfs/dbraw/zinc/62/95/63/358629563.db2.gz AVLAEOUJMXZPGT-UHFFFAOYSA-N -1 3 304.306 2.490 20 5 DEBDHM O=c1[n-]ccc(N2CCN(c3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000596056414 358599567 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Cc1cc(S(=O)(=O)[N-]C[C@H](C)C2CC2)c(F)cc1[N+](=O)[O-] ZINC001208516163 801001409 /nfs/dbraw/zinc/00/14/09/801001409.db2.gz SDRZJAXHCAJNFV-VIFPVBQESA-N -1 3 316.354 2.367 20 5 DEBDHM O=[N+]([O-])C[C@@H](Oc1cc(O)cc([O-])c1Br)C1CC1 ZINC001229096798 801223193 /nfs/dbraw/zinc/22/31/93/801223193.db2.gz JSXHODYRDCURHN-SNVBAGLBSA-N -1 3 318.123 2.294 20 5 DEBDHM COC(=O)c1ccc([O-])c(Nc2cnc(OC)c([N+](=O)[O-])c2)c1 ZINC001210139082 801340028 /nfs/dbraw/zinc/34/00/28/801340028.db2.gz VSIUCNVZCBSOOY-UHFFFAOYSA-N -1 3 319.273 2.234 20 5 DEBDHM COc1ncc(Nc2cc(=O)[n-]c(C3CC3)n2)cc1[N+](=O)[O-] ZINC001210136888 801340301 /nfs/dbraw/zinc/34/03/01/801340301.db2.gz PHSKLHZQLVWBQB-UHFFFAOYSA-N -1 3 303.278 2.115 20 5 DEBDHM Cc1cc2[n-]c(O[C@H]3CCNCC3(F)F)nc2cc1[N+](=O)[O-] ZINC001218006196 802130016 /nfs/dbraw/zinc/13/00/16/802130016.db2.gz JGQKKRCHWYLDAV-NSHDSACASA-N -1 3 312.276 2.156 20 5 DEBDHM CO[C@H](C)CO[C@H](C)COc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227743862 803274428 /nfs/dbraw/zinc/27/44/28/803274428.db2.gz ZNKBHEYPWZGFQN-NXEZZACHSA-N -1 3 309.322 2.290 20 5 DEBDHM CO[C@H](C)CO[C@H](C)COc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227743862 803274430 /nfs/dbraw/zinc/27/44/30/803274430.db2.gz ZNKBHEYPWZGFQN-NXEZZACHSA-N -1 3 309.322 2.290 20 5 DEBDHM Cc1[n-]c(=O)cc(OC[C@H]2CC[C@@]3(CCCCO3)O2)c1[N+](=O)[O-] ZINC001228688090 803395850 /nfs/dbraw/zinc/39/58/50/803395850.db2.gz DNZXVWGREBXCHU-IAQYHMDHSA-N -1 3 324.333 2.458 20 5 DEBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CC[C@H]3OCCC[C@H]3C2)c1 ZINC001329674858 961297317 /nfs/dbraw/zinc/29/73/17/961297317.db2.gz CDPYIEYMSXDTGX-SWLSCSKDSA-N -1 3 320.345 2.294 20 5 DEBDHM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCSC[C@H](C(=O)[O-])C1 ZINC001593704063 996183085 /nfs/dbraw/zinc/18/30/85/996183085.db2.gz YPLMXVZBISNXAW-CMPLNLGQSA-N -1 3 310.375 2.405 20 5 DEBDHM Cc1nn(CN2CC[C@@](C)(C(=O)[O-])C2)c2cc([N+](=O)[O-])ccc12 ZINC001610571867 1078044200 /nfs/dbraw/zinc/04/42/00/1078044200.db2.gz CZQNRNUTJPEUEQ-OAHLLOKOSA-N -1 3 318.333 2.007 20 5 DEBDHM O=C([O-])c1ccnc(NC[C@H]2CCN2C2CCCC2)c1[N+](=O)[O-] ZINC001602483516 1069654670 /nfs/dbraw/zinc/65/46/70/1069654670.db2.gz MQOUDJAIZUXBLO-LLVKDONJSA-N -1 3 320.349 2.117 20 5 DEBDHM CC(C)[C@@H](C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603207765 1069909155 /nfs/dbraw/zinc/90/91/55/1069909155.db2.gz BJDKHNAKVVSXCY-SECBINFHSA-N -1 3 319.321 2.110 20 5 DEBDHM CC(C)[C@@H](C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603207765 1069909165 /nfs/dbraw/zinc/90/91/65/1069909165.db2.gz BJDKHNAKVVSXCY-SECBINFHSA-N -1 3 319.321 2.110 20 5 DEBDHM CC(C)[C@@H]1CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001603246094 1069919653 /nfs/dbraw/zinc/91/96/53/1069919653.db2.gz PWCBRBXLMBVEFI-LLVKDONJSA-N -1 3 302.338 2.257 20 5 DEBDHM CC(C)[C@@H]1CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001603246094 1069919657 /nfs/dbraw/zinc/91/96/57/1069919657.db2.gz PWCBRBXLMBVEFI-LLVKDONJSA-N -1 3 302.338 2.257 20 5 DEBDHM C[C@@H](C[C@H]1CCOC1)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603465699 1069972872 /nfs/dbraw/zinc/97/28/72/1069972872.db2.gz HGPULORZXTWTST-VHSXEESVSA-N -1 3 318.337 2.002 20 5 DEBDHM C[C@@H](C[C@H]1CCOC1)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001603465699 1069972879 /nfs/dbraw/zinc/97/28/79/1069972879.db2.gz HGPULORZXTWTST-VHSXEESVSA-N -1 3 318.337 2.002 20 5 DEBDHM C[C@@H]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001603889497 1070137250 /nfs/dbraw/zinc/13/72/50/1070137250.db2.gz KLHVCSQQWVENKD-BDAKNGLRSA-N -1 3 303.326 2.018 20 5 DEBDHM C[C@@H]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001603889497 1070137252 /nfs/dbraw/zinc/13/72/52/1070137252.db2.gz KLHVCSQQWVENKD-BDAKNGLRSA-N -1 3 303.326 2.018 20 5 DEBDHM CC[C@@H]1CCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001604105461 1070221391 /nfs/dbraw/zinc/22/13/91/1070221391.db2.gz HLMSXUSVYRLMRG-MRVPVSSYSA-N -1 3 306.301 2.150 20 5 DEBDHM CC[C@@H]1CCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001604105461 1070221402 /nfs/dbraw/zinc/22/14/02/1070221402.db2.gz HLMSXUSVYRLMRG-MRVPVSSYSA-N -1 3 306.301 2.150 20 5 DEBDHM CC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H]1C ZINC001604105507 1070222164 /nfs/dbraw/zinc/22/21/64/1070222164.db2.gz JCRSEWWNZPBDNB-NXEZZACHSA-N -1 3 302.338 2.400 20 5 DEBDHM CC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@@H]1C ZINC001604105507 1070222174 /nfs/dbraw/zinc/22/21/74/1070222174.db2.gz JCRSEWWNZPBDNB-NXEZZACHSA-N -1 3 302.338 2.400 20 5 DEBDHM CC[C@](C)(CC(=O)[O-])NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001604903111 1070530074 /nfs/dbraw/zinc/53/00/74/1070530074.db2.gz HFIPQPCUTWSSKA-CYBMUJFWSA-N -1 3 311.294 2.236 20 5 DEBDHM O=[N+]([O-])c1ccc(N2CC[C@@H]3CCC[C@@H]32)c(-c2nnn[n-]2)c1 ZINC001607082374 1071291202 /nfs/dbraw/zinc/29/12/02/1071291202.db2.gz PSPDECUIGUEEIU-CABZTGNLSA-N -1 3 300.322 2.154 20 5 DEBDHM O=[N+]([O-])c1ccc(N2CC[C@@H]3CCC[C@@H]32)c(-c2nn[n-]n2)c1 ZINC001607082374 1071291210 /nfs/dbraw/zinc/29/12/10/1071291210.db2.gz PSPDECUIGUEEIU-CABZTGNLSA-N -1 3 300.322 2.154 20 5 DEBDHM O=[N+]([O-])c1ccc(COc2ccccc2-c2nnn[n-]2)cc1F ZINC001607081847 1071291226 /nfs/dbraw/zinc/29/12/26/1071291226.db2.gz OZETUPKLTOWRIK-UHFFFAOYSA-N -1 3 315.264 2.493 20 5 DEBDHM O=[N+]([O-])c1ccc(COc2ccccc2-c2nn[n-]n2)cc1F ZINC001607081847 1071291236 /nfs/dbraw/zinc/29/12/36/1071291236.db2.gz OZETUPKLTOWRIK-UHFFFAOYSA-N -1 3 315.264 2.493 20 5 DEBDHM O=[N+]([O-])c1ccccc1OCc1ccc(-c2nnn[n-]2)s1 ZINC001607085070 1071293614 /nfs/dbraw/zinc/29/36/14/1071293614.db2.gz HZCJICIXSCYTEM-UHFFFAOYSA-N -1 3 303.303 2.415 20 5 DEBDHM C[C@@H](Nc1ccc([N+](=O)[O-])nc1)c1nc(C(F)(F)F)n[n-]1 ZINC001458646002 1058079252 /nfs/dbraw/zinc/07/92/52/1058079252.db2.gz WNQYDYSIJULBIH-RXMQYKEDSA-N -1 3 302.216 2.300 20 5 DEBDHM COc1cc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc(OC)c1OC ZINC001472641466 1060562629 /nfs/dbraw/zinc/56/26/29/1060562629.db2.gz ORUUFQOAHOZJFN-UHFFFAOYSA-N -1 3 321.289 2.465 20 5 DEBDHM O=c1cc(CNc2cccnc2[N+](=O)[O-])nc(C2CCC2)[n-]1 ZINC001472844553 1060592893 /nfs/dbraw/zinc/59/28/93/1060592893.db2.gz WCOPILXSZLZPPJ-UHFFFAOYSA-N -1 3 301.306 2.365 20 5 DEBDHM COc1cc(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])cc(OC)c1 ZINC001472904815 1060607925 /nfs/dbraw/zinc/60/79/25/1060607925.db2.gz ZWLQZARDJIYIQH-UHFFFAOYSA-N -1 3 319.317 2.367 20 5 DEBDHM O=C([O-])COc1ccc(CNC/C=C/C2CC2)cc1[N+](=O)[O-] ZINC001610787145 1078076247 /nfs/dbraw/zinc/07/62/47/1078076247.db2.gz VRWUNSLXRXOSPD-OWOJBTEDSA-N -1 3 306.318 2.114 20 5 DEBDHM Cc1nc2c(c(=O)[n-]1)CN(c1nccc3c1cccc3[N+](=O)[O-])C2 ZINC001612691789 1078113199 /nfs/dbraw/zinc/11/31/99/1078113199.db2.gz WFEYDQDZPYBPHF-UHFFFAOYSA-N -1 3 323.312 2.467 20 5 DEBDHM COc1cccc([O-])c1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001543554992 1072499468 /nfs/dbraw/zinc/49/94/68/1072499468.db2.gz NCPNHXLOFBNFBP-UHFFFAOYSA-N -1 3 316.313 2.282 20 5 DEBDHM O=c1[n-]ccc(N2CCOc3cc(F)ccc3C2)c1[N+](=O)[O-] ZINC001559249885 1075116377 /nfs/dbraw/zinc/11/63/77/1075116377.db2.gz NNPYIKVLZZIHMJ-UHFFFAOYSA-N -1 3 305.265 2.234 20 5 DEBDHM CC1(C)OCC[C@H]1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590119602 1076567898 /nfs/dbraw/zinc/56/78/98/1076567898.db2.gz SIRZXESZAPSOAU-VIFPVBQESA-N -1 3 318.337 2.002 20 5 DEBDHM CC1(C)OCC[C@H]1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590119602 1076567901 /nfs/dbraw/zinc/56/79/01/1076567901.db2.gz SIRZXESZAPSOAU-VIFPVBQESA-N -1 3 318.337 2.002 20 5 DEBDHM C[C@@H]1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@H]1C ZINC001590239044 1076594778 /nfs/dbraw/zinc/59/47/78/1076594778.db2.gz KJXCEHGWGQBSCQ-WCABBAIRSA-N -1 3 317.353 2.407 20 5 DEBDHM C[C@@H]1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@@H]1C ZINC001590239044 1076594783 /nfs/dbraw/zinc/59/47/83/1076594783.db2.gz KJXCEHGWGQBSCQ-WCABBAIRSA-N -1 3 317.353 2.407 20 5 DEBDHM C[C@@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001590255306 1076600798 /nfs/dbraw/zinc/60/07/98/1076600798.db2.gz UTAJSSKSNBKYID-BDAKNGLRSA-N -1 3 303.326 2.161 20 5 DEBDHM C[C@@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001590255306 1076600802 /nfs/dbraw/zinc/60/08/02/1076600802.db2.gz UTAJSSKSNBKYID-BDAKNGLRSA-N -1 3 303.326 2.161 20 5 DEBDHM C[C@@H]1CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C[C@@H](C)S1 ZINC001590315393 1076610215 /nfs/dbraw/zinc/61/02/15/1076610215.db2.gz YQFXZURXWKVEAW-RKDXNWHRSA-N -1 3 320.378 2.105 20 5 DEBDHM C[C@@H]1CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C[C@@H](C)S1 ZINC001590315393 1076610218 /nfs/dbraw/zinc/61/02/18/1076610218.db2.gz YQFXZURXWKVEAW-RKDXNWHRSA-N -1 3 320.378 2.105 20 5 DEBDHM CCC(C)(C)OCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590379030 1076617301 /nfs/dbraw/zinc/61/73/01/1076617301.db2.gz NQBRAUUVIZDSIE-UHFFFAOYSA-N -1 3 320.353 2.392 20 5 DEBDHM CCC(C)(C)OCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590379030 1076617307 /nfs/dbraw/zinc/61/73/07/1076617307.db2.gz NQBRAUUVIZDSIE-UHFFFAOYSA-N -1 3 320.353 2.392 20 5 DEBDHM CC[C@@H](C)[C@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])OC ZINC001590401146 1076620741 /nfs/dbraw/zinc/62/07/41/1076620741.db2.gz UQJDYOHDDUUJLI-SKDRFNHKSA-N -1 3 320.353 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/nfs/dbraw/zinc/39/23/96/598392396.db2.gz IMEOBBJMSZYNLQ-DJWKRKHSSA-N -1 3 324.300 2.349 20 5 DEBDHM COc1ccc(C=Cc2ccc(-c3nn[n-]n3)cn2)cc1[N+](=O)[O-] ZINC000737080902 598392397 /nfs/dbraw/zinc/39/23/97/598392397.db2.gz IMEOBBJMSZYNLQ-DJWKRKHSSA-N -1 3 324.300 2.349 20 5 DEBDHM C[C@@H]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@H](C)C1 ZINC000736245766 598817277 /nfs/dbraw/zinc/81/72/77/598817277.db2.gz WNSRCLZYADMUKJ-KBVBSXBZSA-N -1 3 317.353 2.407 20 5 DEBDHM C[C@@H]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@H](C)C1 ZINC000736245766 598817280 /nfs/dbraw/zinc/81/72/80/598817280.db2.gz WNSRCLZYADMUKJ-KBVBSXBZSA-N -1 3 317.353 2.407 20 5 DEBDHM C[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1cccc([N+](=O)[O-])c1 ZINC000820432171 599408875 /nfs/dbraw/zinc/40/88/75/599408875.db2.gz MUTHZDWBIIKXGD-SECBINFHSA-N -1 3 314.305 2.219 20 5 DEBDHM C[C@@H](NCc1ccc(-c2nn[n-]n2)o1)c1cccc([N+](=O)[O-])c1 ZINC000820432171 599408879 /nfs/dbraw/zinc/40/88/79/599408879.db2.gz MUTHZDWBIIKXGD-SECBINFHSA-N -1 3 314.305 2.219 20 5 DEBDHM CSCC[C@@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737180611 599445442 /nfs/dbraw/zinc/44/54/42/599445442.db2.gz GZSDMFYWTYCFQH-MRVPVSSYSA-N -1 3 308.367 2.328 20 5 DEBDHM CSCC[C@@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737180611 599445444 /nfs/dbraw/zinc/44/54/44/599445444.db2.gz GZSDMFYWTYCFQH-MRVPVSSYSA-N -1 3 308.367 2.328 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Sc1ccncc1 ZINC000823634463 607495391 /nfs/dbraw/zinc/49/53/91/607495391.db2.gz GHPSCHXOLIMTHR-UHFFFAOYSA-N -1 3 300.303 2.321 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Sc1ccncc1 ZINC000823634463 607495392 /nfs/dbraw/zinc/49/53/92/607495392.db2.gz GHPSCHXOLIMTHR-UHFFFAOYSA-N -1 3 300.303 2.321 20 5 DEBDHM Cc1cncc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000826319437 608017168 /nfs/dbraw/zinc/01/71/68/608017168.db2.gz COVJBZRGTAYWOV-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1cncc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000826319437 608017169 /nfs/dbraw/zinc/01/71/69/608017169.db2.gz COVJBZRGTAYWOV-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM CN(Cc1cccc(-c2nnn[n-]2)c1)c1sccc1[N+](=O)[O-] ZINC000825976933 608865566 /nfs/dbraw/zinc/86/55/66/608865566.db2.gz RNQCRYCZQUYRHT-UHFFFAOYSA-N -1 3 316.346 2.473 20 5 DEBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)c1sccc1[N+](=O)[O-] ZINC000825976933 608865569 /nfs/dbraw/zinc/86/55/69/608865569.db2.gz RNQCRYCZQUYRHT-UHFFFAOYSA-N -1 3 316.346 2.473 20 5 DEBDHM O=[N+]([O-])c1ccc(NCC[C@@H]2CCCCO2)c(-c2nnn[n-]2)c1 ZINC000826498918 609581214 /nfs/dbraw/zinc/58/12/14/609581214.db2.gz OJOIRSFMPVLWHF-NSHDSACASA-N -1 3 318.337 2.146 20 5 DEBDHM O=[N+]([O-])c1ccc(NCC[C@@H]2CCCCO2)c(-c2nn[n-]n2)c1 ZINC000826498918 609581217 /nfs/dbraw/zinc/58/12/17/609581217.db2.gz OJOIRSFMPVLWHF-NSHDSACASA-N -1 3 318.337 2.146 20 5 DEBDHM O=c1[n-]ccc(N2CCC[C@H](C3CCOCC3)C2)c1[N+](=O)[O-] ZINC000896590913 638600942 /nfs/dbraw/zinc/60/09/42/638600942.db2.gz FPTMVNAEEYCUFR-LBPRGKRZSA-N -1 3 307.350 2.338 20 5 DEBDHM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)[N-]N1CCCC1=O ZINC000758442798 639961154 /nfs/dbraw/zinc/96/11/54/639961154.db2.gz RJHBNKRTVOSBKP-UHFFFAOYSA-N -1 3 323.374 2.363 20 5 DEBDHM CC(C)(C)CC(=O)[N-]OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000842061402 650638788 /nfs/dbraw/zinc/63/87/88/650638788.db2.gz JXYVSXVLXXYKNJ-UHFFFAOYSA-N -1 3 311.294 2.487 20 5 DEBDHM Cc1cc(=O)[n-]c(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)n1 ZINC000777941019 642323142 /nfs/dbraw/zinc/32/31/42/642323142.db2.gz XSNLGHLROOFMEY-UHFFFAOYSA-N -1 3 311.301 2.311 20 5 DEBDHM COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000903629788 643410210 /nfs/dbraw/zinc/41/02/10/643410210.db2.gz WQHZSCSAJLEZAC-GHMZBOCLSA-N -1 3 308.334 2.146 20 5 DEBDHM COc1cc(CNCc2cccnc2F)c([N+](=O)[O-])cc1[O-] ZINC000793282513 644225617 /nfs/dbraw/zinc/22/56/17/644225617.db2.gz WFXRJOHKJMNXRJ-UHFFFAOYSA-N -1 3 307.281 2.133 20 5 DEBDHM Cc1ccc([N-]S(=O)(=O)C[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000795278341 644545324 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CC(C)CC(=O)NC[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001091307974 791091682 /nfs/dbraw/zinc/09/16/82/791091682.db2.gz UACBJZJXBJQPDU-PHIMTYICSA-N -1 3 322.365 2.048 20 5 DEBDHM CC(C)C(=O)N1CCC(C)(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001067245873 787311205 /nfs/dbraw/zinc/31/12/05/787311205.db2.gz ZFNFPXBTXAWIQZ-UHFFFAOYSA-N -1 3 322.365 2.144 20 5 DEBDHM CC(C)(C)CC(=O)N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001096988742 787930686 /nfs/dbraw/zinc/93/06/86/787930686.db2.gz KTJGLVHIATZJFM-MGCOHNPYSA-N -1 3 322.365 2.191 20 5 DEBDHM C=C/C(C)=C\CC(=O)N(C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101895520 793430088 /nfs/dbraw/zinc/43/00/88/793430088.db2.gz SGWBBSNFCOEBLH-WZUFQYTHSA-N -1 3 320.349 2.088 20 5 DEBDHM CCc1[nH]nc(C(=O)[N-]c2nc(CC(C)C)co2)c1[N+](=O)[O-] ZINC001180595981 795342798 /nfs/dbraw/zinc/34/27/98/795342798.db2.gz GCZRIZRJCALIEG-UHFFFAOYSA-N -1 3 307.310 2.319 20 5 DEBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccnc2N2CCOCC2)c1 ZINC001199801199 798541535 /nfs/dbraw/zinc/54/15/35/798541535.db2.gz BJXQWSPEJFVLNA-UHFFFAOYSA-N -1 3 316.317 2.276 20 5 DEBDHM CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c(F)c1 ZINC001161477550 798866912 /nfs/dbraw/zinc/86/69/12/798866912.db2.gz VNECPXJBYCUMGS-UHFFFAOYSA-N -1 3 321.264 2.486 20 5 DEBDHM CC(=O)c1ccc([O-])c(O[C@@H](C)Cn2c(C)ncc2[N+](=O)[O-])c1 ZINC001225992727 803039074 /nfs/dbraw/zinc/03/90/74/803039074.db2.gz BGSLAQSZVVLZCB-VIFPVBQESA-N -1 3 319.317 2.475 20 5 DEBDHM C[C@H](Oc1[n-]c(=O)nc2nccnc21)c1cccc([N+](=O)[O-])c1 ZINC001226990480 803187270 /nfs/dbraw/zinc/18/72/70/803187270.db2.gz WFTTWIUEFMERLC-QMMMGPOBSA-N -1 3 313.273 2.174 20 5 DEBDHM O=C([O-])C1CC2(C1)CC[C@H](CNCc1ccccc1[N+](=O)[O-])O2 ZINC001605988295 973047540 /nfs/dbraw/zinc/04/75/40/973047540.db2.gz XHKDUYBGPGBFSH-MFOWVQHXSA-N -1 3 320.345 2.097 20 5 DEBDHM COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001604738976 973947451 /nfs/dbraw/zinc/94/74/51/973947451.db2.gz IGSYTHGFKNHOIG-ZWNOBZJWSA-N -1 3 308.334 2.146 20 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20 5 DEBDHM O=c1cc(CNc2ccc([N+](=O)[O-])nc2)nc(C2CCC2)[n-]1 ZINC001458514822 1058067890 /nfs/dbraw/zinc/06/78/90/1058067890.db2.gz MGSXSEGALPFKBA-UHFFFAOYSA-N -1 3 301.306 2.365 20 5 DEBDHM O=c1[n-]ccc(NCc2ccn(-c3ccccc3)n2)c1[N+](=O)[O-] ZINC001611896411 1078106591 /nfs/dbraw/zinc/10/65/91/1078106591.db2.gz ZLLIUCKTRZJKAC-UHFFFAOYSA-N -1 3 311.301 2.493 20 5 DEBDHM CCc1noc([C@H]2CC[C@@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)n1 ZINC001613023377 1078115669 /nfs/dbraw/zinc/11/56/69/1078115669.db2.gz YLFLVKPCQXFFRZ-DTWKUNHWSA-N -1 3 319.321 2.389 20 5 DEBDHM COC(=O)c1cc(C(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)on1 ZINC001623974859 1078212833 /nfs/dbraw/zinc/21/28/33/1078212833.db2.gz KJRSJESKOLTULG-UHFFFAOYSA-N -1 3 319.273 2.239 20 5 DEBDHM CC[C@@H]1CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCS1 ZINC001590522987 1076646803 /nfs/dbraw/zinc/64/68/03/1076646803.db2.gz ULVDCUYFTPOGKW-SNVBAGLBSA-N -1 3 320.378 2.107 20 5 DEBDHM CC[C@@H]1CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCS1 ZINC001590522987 1076646804 /nfs/dbraw/zinc/64/68/04/1076646804.db2.gz ULVDCUYFTPOGKW-SNVBAGLBSA-N -1 3 320.378 2.107 20 5 DEBDHM Cc1cc(NCC[C@H]2CCCO2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592051512 1076839475 /nfs/dbraw/zinc/83/94/75/1076839475.db2.gz VMQIDOYAQTXCTA-SNVBAGLBSA-N -1 3 318.337 2.064 20 5 DEBDHM Cc1cc(NCC[C@H]2CCCO2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592051512 1076839479 /nfs/dbraw/zinc/83/94/79/1076839479.db2.gz VMQIDOYAQTXCTA-SNVBAGLBSA-N -1 3 318.337 2.064 20 5 DEBDHM Cc1cc(S[C@H]2CCCOC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592066801 1076843334 /nfs/dbraw/zinc/84/33/34/1076843334.db2.gz CINKKCUKCZCYSM-VIFPVBQESA-N -1 3 321.362 2.354 20 5 DEBDHM Cc1cc(S[C@H]2CCCOC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592066801 1076843335 /nfs/dbraw/zinc/84/33/35/1076843335.db2.gz CINKKCUKCZCYSM-VIFPVBQESA-N -1 3 321.362 2.354 20 5 DEBDHM O=Cc1cccc(Oc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1 ZINC001593415922 1077004257 /nfs/dbraw/zinc/00/42/57/1077004257.db2.gz JKDGFDRXDCOWLE-UHFFFAOYSA-N -1 3 311.257 2.380 20 5 DEBDHM O=Cc1cccc(Oc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1 ZINC001593415922 1077004262 /nfs/dbraw/zinc/00/42/62/1077004262.db2.gz JKDGFDRXDCOWLE-UHFFFAOYSA-N -1 3 311.257 2.380 20 5 DEBDHM O=[N+]([O-])c1cc(N2CCCC(F)(F)C2)ccc1-c1nnn[n-]1 ZINC001593472037 1077007259 /nfs/dbraw/zinc/00/72/59/1077007259.db2.gz RZPZUSYDDARRBC-UHFFFAOYSA-N -1 3 310.264 2.010 20 5 DEBDHM O=[N+]([O-])c1ccc(NCC[C@@H]2CCCS2)c(-c2nnn[n-]2)c1 ZINC001593477979 1077008452 /nfs/dbraw/zinc/00/84/52/1077008452.db2.gz NAZFEBBQQPZVCJ-JTQLQIEISA-N -1 3 320.378 2.473 20 5 DEBDHM O=[N+]([O-])c1ccc(NCC[C@@H]2CCCS2)c(-c2nn[n-]n2)c1 ZINC001593477979 1077008457 /nfs/dbraw/zinc/00/84/57/1077008457.db2.gz NAZFEBBQQPZVCJ-JTQLQIEISA-N -1 3 320.378 2.473 20 5 DEBDHM O=[N+]([O-])c1ccc(Sc2cccc(F)c2-c2nnn[n-]2)cn1 ZINC001593479307 1077009177 /nfs/dbraw/zinc/00/91/77/1077009177.db2.gz AUIXKIFQBNOGTG-UHFFFAOYSA-N -1 3 318.293 2.460 20 5 DEBDHM Cc1cc([N+](=O)[O-])ccc1CN(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC001600304944 1077178042 /nfs/dbraw/zinc/17/80/42/1077178042.db2.gz YHFXGAWCXQESMV-HNNXBMFYSA-N -1 3 322.361 2.359 20 5 DEBDHM O=C([O-])/C=C/c1ccc(N[C@H]2CN3CCC2CC3)c([N+](=O)[O-])c1 ZINC001601881811 1077469339 /nfs/dbraw/zinc/46/93/39/1077469339.db2.gz DXRBACVHGCGZME-PMUGQKEBSA-N -1 3 317.345 2.199 20 5 DEBDHM N[C@@H](C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C1CCCCC1 ZINC001608247281 1077615361 /nfs/dbraw/zinc/61/53/61/1077615361.db2.gz AYRDLSMAYKJFJL-CYBMUJFWSA-N -1 3 321.333 2.139 20 5 DEBDHM CC1(C)SC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609147897 1077773432 /nfs/dbraw/zinc/77/34/32/1077773432.db2.gz SIXJDJVWDDUTOF-JTQLQIEISA-N -1 3 306.351 2.081 20 5 DEBDHM CC1(C)SC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609147897 1077773438 /nfs/dbraw/zinc/77/34/38/1077773438.db2.gz SIXJDJVWDDUTOF-JTQLQIEISA-N -1 3 306.351 2.081 20 5 DEBDHM CC1(C)CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCS1 ZINC001609147599 1077773587 /nfs/dbraw/zinc/77/35/87/1077773587.db2.gz ZWOXLVPQUIYRFC-UHFFFAOYSA-N -1 3 320.378 2.107 20 5 DEBDHM CC1(C)CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCS1 ZINC001609147599 1077773590 /nfs/dbraw/zinc/77/35/90/1077773590.db2.gz ZWOXLVPQUIYRFC-UHFFFAOYSA-N -1 3 320.378 2.107 20 5 DEBDHM O=C(OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CCCC1 ZINC001609575504 1077878116 /nfs/dbraw/zinc/87/81/16/1077878116.db2.gz SBCDYDPGSRRENM-UHFFFAOYSA-N -1 3 317.305 2.008 20 5 DEBDHM O=C(OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1CCCC1 ZINC001609575504 1077878118 /nfs/dbraw/zinc/87/81/18/1077878118.db2.gz SBCDYDPGSRRENM-UHFFFAOYSA-N -1 3 317.305 2.008 20 5 DEBDHM O=[N+]([O-])c1cc(N2C[C@H]3CCCC[C@@H]3C2)ccc1-c1nnn[n-]1 ZINC001609601229 1077881006 /nfs/dbraw/zinc/88/10/06/1077881006.db2.gz SBHRBQDXVMCOIL-GHMZBOCLSA-N -1 3 314.349 2.401 20 5 DEBDHM C[C@H](O)[C@@H]1C[C@H](C)CCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001609857487 1077939225 /nfs/dbraw/zinc/93/92/25/1077939225.db2.gz ALHMPMZPLXKMRY-ZETOZRRWSA-N -1 3 322.361 2.274 20 5 DEBDHM CC[C@@H]1CCCN1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001609952839 1077957688 /nfs/dbraw/zinc/95/76/88/1077957688.db2.gz VBVGFFBELHXHQR-GFCCVEGCSA-N -1 3 308.334 2.433 20 5 DEBDHM C[C@@H]1Oc2ccc(Nc3cc[n-]c(=O)c3[N+](=O)[O-])cc2NC1=O ZINC001651327105 1079802103 /nfs/dbraw/zinc/80/21/03/1079802103.db2.gz SNSIABZCVIOLIR-ZETCQYMHSA-N -1 3 316.273 2.158 20 5 DEBDHM CC(C)CCC(=O)NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107067336 1080574201 /nfs/dbraw/zinc/57/42/01/1080574201.db2.gz CEDWBANRQFRSBV-ARJAWSKDSA-N -1 3 322.365 2.216 20 5 DEBDHM C=COc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC001306854339 1147391158 /nfs/dbraw/zinc/39/11/58/1147391158.db2.gz HTVGBPFDZJQKCT-UHFFFAOYSA-N -1 3 301.258 2.470 20 5 DEBDHM O=c1cc([C@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)C2)[n-][nH]1 ZINC001307157834 1147401847 /nfs/dbraw/zinc/40/18/47/1147401847.db2.gz ZRWNIQJDKSUUSA-ZETCQYMHSA-N -1 3 309.713 2.066 20 5 DEBDHM Cc1ncsc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000355957826 282236427 /nfs/dbraw/zinc/23/64/27/282236427.db2.gz OLVWGOVPZWBULF-UHFFFAOYSA-N -1 3 303.303 2.488 20 5 DEBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCC2(C)C)cc1[N+](=O)[O-] ZINC000344803981 302880795 /nfs/dbraw/zinc/88/07/95/302880795.db2.gz CLJDZUYIVFGVIM-SECBINFHSA-N -1 3 304.393 2.432 20 5 DEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCc1ccccc1F ZINC000018940631 354044224 /nfs/dbraw/zinc/04/42/24/354044224.db2.gz VNDBZSKBGIWJRL-UHFFFAOYSA-N -1 3 324.333 2.255 20 5 DEBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@H](c2ncc[nH]2)C1 ZINC000092071386 355616918 /nfs/dbraw/zinc/61/69/18/355616918.db2.gz KULPEQYWNAJIKE-NSHDSACASA-N -1 3 302.334 2.403 20 5 DEBDHM CC1(C(=O)[O-])CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000592398717 357872961 /nfs/dbraw/zinc/87/29/61/357872961.db2.gz IQHQLEQKFRZQFZ-UHFFFAOYSA-N -1 3 308.334 2.160 20 5 DEBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]CCC1CC1 ZINC000594757755 358333582 /nfs/dbraw/zinc/33/35/82/358333582.db2.gz JNAUWUIOWDZUJS-UHFFFAOYSA-N -1 3 321.358 2.221 20 5 DEBDHM O=c1[n-]ccc(NC[C@H](CO)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000596077405 358605564 /nfs/dbraw/zinc/60/55/64/358605564.db2.gz QCYHFQMLZDBODA-LLVKDONJSA-N -1 3 321.308 2.098 20 5 DEBDHM O=c1[n-]ccc(N2CCC[C@H](OCC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000596088511 358607735 /nfs/dbraw/zinc/60/77/35/358607735.db2.gz PINYIYJCQGYGOF-QMMMGPOBSA-N -1 3 321.255 2.243 20 5 DEBDHM O=c1[n-]ccc(N2CCO[C@@H](c3ccccc3F)C2)c1[N+](=O)[O-] ZINC000596105403 358611474 /nfs/dbraw/zinc/61/14/74/358611474.db2.gz PYRAZFXZEWCRHG-CYBMUJFWSA-N -1 3 319.292 2.412 20 5 DEBDHM CN(C[C@H]1OCCc2ccccc21)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596111201 358613374 /nfs/dbraw/zinc/61/33/74/358613374.db2.gz WWJKTWKTIBWVMN-CQSZACIVSA-N -1 3 315.329 2.446 20 5 DEBDHM O=c1[n-]ccc(N2CCO[C@@H](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596185597 358634124 /nfs/dbraw/zinc/63/41/24/358634124.db2.gz YNDYDDVWPKVBDK-ZDUSSCGKSA-N -1 3 315.329 2.143 20 5 DEBDHM CSCCCCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000185975226 199911567 /nfs/dbraw/zinc/91/15/67/199911567.db2.gz IYCSDAJAJILQPK-UHFFFAOYSA-N -1 3 318.420 2.406 20 5 DEBDHM CCC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000601492494 360053772 /nfs/dbraw/zinc/05/37/72/360053772.db2.gz OGAOXDWQLHYVDG-MWLCHTKSSA-N -1 3 314.363 2.070 20 5 DEBDHM Cc1nc2cc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)ccc2[nH]1 ZINC000444833145 238333738 /nfs/dbraw/zinc/33/37/38/238333738.db2.gz HINFZHCWNFSXOZ-UHFFFAOYSA-N -1 3 313.273 2.132 20 5 DEBDHM Cc1nc2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2[nH]1 ZINC000444833145 238333749 /nfs/dbraw/zinc/33/37/49/238333749.db2.gz HINFZHCWNFSXOZ-UHFFFAOYSA-N -1 3 313.273 2.132 20 5 DEBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](C)C(C)(F)F ZINC000451073265 242560878 /nfs/dbraw/zinc/56/08/78/242560878.db2.gz QNEPEYIJGDGZNJ-MRVPVSSYSA-N -1 3 308.306 2.225 20 5 DEBDHM Cc1sc(S(=O)(=O)[N-]CCC(C)(F)F)cc1[N+](=O)[O-] ZINC000451616291 243208611 /nfs/dbraw/zinc/20/86/11/243208611.db2.gz ZJKMMHZTZJKQBM-UHFFFAOYSA-N -1 3 314.335 2.288 20 5 DEBDHM COc1cc(C(=O)NCCc2cccc([N+](=O)[O-])c2)ccc1[O-] ZINC000442801432 533534855 /nfs/dbraw/zinc/53/48/55/533534855.db2.gz PEEHOILUATVXRT-UHFFFAOYSA-N -1 3 316.313 2.282 20 5 DEBDHM COc1ccc2nc([N-]C(=O)c3c[nH]nc3[N+](=O)[O-])sc2c1 ZINC000547751585 285632048 /nfs/dbraw/zinc/63/20/48/285632048.db2.gz UOZMVHCEHFRDIA-UHFFFAOYSA-N -1 3 319.302 2.189 20 5 DEBDHM CC(C)[C@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1C ZINC000565036346 292128784 /nfs/dbraw/zinc/12/87/84/292128784.db2.gz QPNGTNSQRIZAFT-CQSZACIVSA-N -1 3 307.350 2.069 20 5 DEBDHM CCCC[C@H](COC)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000076299157 401789957 /nfs/dbraw/zinc/78/99/57/401789957.db2.gz AMTRVOFIVIVXPY-LLVKDONJSA-N -1 3 316.379 2.078 20 5 DEBDHM Cc1cc(N(C)C[C@@H]2CCCN2C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000566290080 292225784 /nfs/dbraw/zinc/22/57/84/292225784.db2.gz AIIYEJJWBMGNEJ-NSHDSACASA-N -1 3 307.350 2.132 20 5 DEBDHM C[C@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000164401674 402461632 /nfs/dbraw/zinc/46/16/32/402461632.db2.gz LTTUBSGLGKFYIS-GFCCVEGCSA-N -1 3 321.377 2.151 20 5 DEBDHM CCc1nc(C)c(CNCc2cc(OC)c([O-])cc2[N+](=O)[O-])o1 ZINC000291719201 404492246 /nfs/dbraw/zinc/49/22/46/404492246.db2.gz ILSWLWKZJXNKFB-UHFFFAOYSA-N -1 3 321.333 2.458 20 5 DEBDHM CC[C@H](CSC)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000181611428 402651643 /nfs/dbraw/zinc/65/16/43/402651643.db2.gz UIVFNWLMGOYQAI-SNVBAGLBSA-N -1 3 318.420 2.323 20 5 DEBDHM O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cc(F)ccc1[O-] ZINC000174880448 402761191 /nfs/dbraw/zinc/76/11/91/402761191.db2.gz RLPPHBZZFWSJQG-UHFFFAOYSA-N -1 3 306.249 2.457 20 5 DEBDHM C[C@@H]1C[C@H](C(=O)[O-])CN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000263378035 402764210 /nfs/dbraw/zinc/76/42/10/402764210.db2.gz WVOWGCOEMWHUKV-NEPJUHHUSA-N -1 3 308.334 2.016 20 5 DEBDHM CCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000175654825 402823519 /nfs/dbraw/zinc/82/35/19/402823519.db2.gz UGFKUOVYLRIXMK-UHFFFAOYSA-N -1 3 314.363 2.072 20 5 DEBDHM CC[C@@H](COC)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272244429 402913998 /nfs/dbraw/zinc/91/39/98/402913998.db2.gz RLZJHFZDQRJPMU-JTQLQIEISA-N -1 3 302.277 2.228 20 5 DEBDHM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[C@@H](N2CCCCC2)C1 ZINC000273535324 403012905 /nfs/dbraw/zinc/01/29/05/403012905.db2.gz SCYRMYGVOPFJES-CYBMUJFWSA-N -1 3 319.361 2.001 20 5 DEBDHM CCSCCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000282364757 403147075 /nfs/dbraw/zinc/14/70/75/403147075.db2.gz QBAOZZHLLDQODU-UHFFFAOYSA-N -1 3 304.393 2.016 20 5 DEBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2F)cc1[N+](=O)[O-] ZINC000339129682 403364714 /nfs/dbraw/zinc/36/47/14/403364714.db2.gz VNEDCRBFUNUGFC-HTQZYQBOSA-N -1 3 308.356 2.134 20 5 DEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CC23CC3)cc1C ZINC000416657946 404872929 /nfs/dbraw/zinc/87/29/29/404872929.db2.gz ZPYDQCOWOHCSEP-LLVKDONJSA-N -1 3 310.375 2.290 20 5 DEBDHM CC[C@H]1CCCCN1CCNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436923073 405163006 /nfs/dbraw/zinc/16/30/06/405163006.db2.gz AMVAGRTYNXEWFX-LBPRGKRZSA-N -1 3 321.377 2.295 20 5 DEBDHM 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C[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1cccc([N+](=O)[O-])c1 ZINC000820432173 599408957 /nfs/dbraw/zinc/40/89/57/599408957.db2.gz MUTHZDWBIIKXGD-VIFPVBQESA-N -1 3 314.305 2.219 20 5 DEBDHM C[C@H](NCc1ccc(-c2nn[n-]n2)o1)c1cccc([N+](=O)[O-])c1 ZINC000820432173 599408960 /nfs/dbraw/zinc/40/89/60/599408960.db2.gz MUTHZDWBIIKXGD-VIFPVBQESA-N -1 3 314.305 2.219 20 5 DEBDHM C[C@@H]1C[C@H]1Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820676884 599520673 /nfs/dbraw/zinc/52/06/73/599520673.db2.gz OWXJWPNJCMVMLL-JMCQJSRRSA-N -1 3 311.305 2.143 20 5 DEBDHM C[C@@H]1C[C@H]1Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820676884 599520674 /nfs/dbraw/zinc/52/06/74/599520674.db2.gz OWXJWPNJCMVMLL-JMCQJSRRSA-N -1 3 311.305 2.143 20 5 DEBDHM CN(C(=O)[O-])[C@@H]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000827889710 603821037 /nfs/dbraw/zinc/82/10/37/603821037.db2.gz JSSVJSSWKMNVGA-CYBMUJFWSA-N -1 3 323.349 2.048 20 5 DEBDHM CC[C@@]1(C)CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000820958416 606949315 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DEBDHM Cc1ccnc(Oc2ccc(-c3nnn[n-]3)cc2F)c1[N+](=O)[O-] ZINC000822379771 607129142 /nfs/dbraw/zinc/12/91/42/607129142.db2.gz UDBAKPXQKWGAHD-UHFFFAOYSA-N -1 3 316.252 2.410 20 5 DEBDHM Cc1ccnc(Oc2ccc(-c3nn[n-]n3)cc2F)c1[N+](=O)[O-] ZINC000822379771 607129144 /nfs/dbraw/zinc/12/91/44/607129144.db2.gz UDBAKPXQKWGAHD-UHFFFAOYSA-N -1 3 316.252 2.410 20 5 DEBDHM O=[N+]([O-])c1cc(Cn2ccc(-c3nnn[n-]3)c2)ccc1Cl ZINC000826498218 607890608 /nfs/dbraw/zinc/89/06/08/607890608.db2.gz LPOKQOQOEOGBTI-UHFFFAOYSA-N -1 3 304.697 2.278 20 5 DEBDHM O=[N+]([O-])c1cc(Cn2ccc(-c3nn[n-]n3)c2)ccc1Cl ZINC000826498218 607890609 /nfs/dbraw/zinc/89/06/09/607890609.db2.gz LPOKQOQOEOGBTI-UHFFFAOYSA-N -1 3 304.697 2.278 20 5 DEBDHM CC[C@@H](CSC)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825125164 608416571 /nfs/dbraw/zinc/41/65/71/608416571.db2.gz ARPZUWNNSZIURC-VIFPVBQESA-N -1 3 308.367 2.328 20 5 DEBDHM CC[C@@H](CSC)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825125164 608416570 /nfs/dbraw/zinc/41/65/70/608416570.db2.gz ARPZUWNNSZIURC-VIFPVBQESA-N -1 3 308.367 2.328 20 5 DEBDHM Nc1c(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cccc1[N+](=O)[O-] ZINC000344991809 641591738 /nfs/dbraw/zinc/59/17/38/641591738.db2.gz YPFJIBXUUTVNNN-UHFFFAOYSA-N -1 3 323.312 2.241 20 5 DEBDHM Cc1ncc([N+](=O)[O-])n1Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000776840499 642211977 /nfs/dbraw/zinc/21/19/77/642211977.db2.gz JGUGHDAXVGWYEP-UHFFFAOYSA-N -1 3 315.285 2.268 20 5 DEBDHM Cc1ccc(CN2CCSC[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000901890477 642812729 /nfs/dbraw/zinc/81/27/29/642812729.db2.gz JVQLYTCJMSMTJD-LBPRGKRZSA-N -1 3 310.375 2.153 20 5 DEBDHM Cc1c(CN2CCSC[C@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000901888881 642819531 /nfs/dbraw/zinc/81/95/31/642819531.db2.gz FILRXCRMCYPHEK-GFCCVEGCSA-N -1 3 310.375 2.153 20 5 DEBDHM O=C([O-])[C@@H]1[C@@H]2CCN(C/C=C\c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000902554040 643067687 /nfs/dbraw/zinc/06/76/87/643067687.db2.gz MLGLILSAAUPKLV-DUYBQNJUSA-N -1 3 302.330 2.261 20 5 DEBDHM C[C@@H]1C[C@H](C)N(Cc2cccnc2[N+](=O)[O-])[C@@H](C)[C@@H]1C(=O)[O-] ZINC000903952800 643528324 /nfs/dbraw/zinc/52/83/24/643528324.db2.gz WFSJQOZMNXZRQJ-MPPDQPJWSA-N -1 3 307.350 2.309 20 5 DEBDHM Cc1c(C(=O)Nc2ncccc2[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194833632 685078787 /nfs/dbraw/zinc/07/87/87/685078787.db2.gz VYBDFRHFSGUWNJ-UHFFFAOYSA-N -1 3 318.245 2.164 20 5 DEBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2C=CCC2)c([N+](=O)[O-])s1 ZINC000882557919 691313179 /nfs/dbraw/zinc/31/31/79/691313179.db2.gz JRZCAPVAYCJPPE-SECBINFHSA-N -1 3 302.377 2.209 20 5 DEBDHM CC/C=C(/C)C(=O)N(CC)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001106685420 782849717 /nfs/dbraw/zinc/84/97/17/782849717.db2.gz PRVZRBDEPCSYMU-WDZFZDKYSA-N -1 3 322.365 2.312 20 5 DEBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C=C1CCC1 ZINC001106722744 782886688 /nfs/dbraw/zinc/88/66/88/782886688.db2.gz OBGZKGJIBSMHBR-UHFFFAOYSA-N -1 3 320.349 2.066 20 5 DEBDHM CC(C)(C)OC(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000695456588 778165561 /nfs/dbraw/zinc/16/55/61/778165561.db2.gz XEQAMCUSQOGDOY-UHFFFAOYSA-N -1 3 312.326 2.022 20 5 DEBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C(C)(C)CC ZINC001106942972 783534165 /nfs/dbraw/zinc/53/41/65/783534165.db2.gz JKMOMNXWIWRPGE-UHFFFAOYSA-N -1 3 324.381 2.392 20 5 DEBDHM CCCC(C)(C)C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094080346 792719852 /nfs/dbraw/zinc/71/98/52/792719852.db2.gz XJKJOJGZCKPKOK-UHFFFAOYSA-N -1 3 310.354 2.050 20 5 DEBDHM CCC(C)(C)CC(=O)N(C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101794663 793380294 /nfs/dbraw/zinc/38/02/94/793380294.db2.gz UNDCHVSXUAMTCN-UHFFFAOYSA-N -1 3 324.381 2.392 20 5 DEBDHM O=c1[nH][n-]cc1CCCNc1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001156279135 797963945 /nfs/dbraw/zinc/96/39/45/797963945.db2.gz RUVMMHVJGQIRFE-NSHDSACASA-N -1 3 313.317 2.067 20 5 DEBDHM COC(=O)c1ccc(N)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201222709 798727463 /nfs/dbraw/zinc/72/74/63/798727463.db2.gz PPQDXPNCFSSEHW-UHFFFAOYSA-N -1 3 303.274 2.413 20 5 DEBDHM O=c1[nH][n-]cc1CCCNc1cc2cccnc2c([N+](=O)[O-])c1 ZINC001164382996 799590631 /nfs/dbraw/zinc/59/06/31/799590631.db2.gz RXGYSRREWLJJJD-NSHDSACASA-N -1 3 313.317 2.067 20 5 DEBDHM O=[N+]([O-])c1c([O-])ccnc1OC[C@H]1CCc2ccccc2O1 ZINC001225659956 802998291 /nfs/dbraw/zinc/99/82/91/802998291.db2.gz AVBVZXFOWMIADM-LLVKDONJSA-N -1 3 302.286 2.468 20 5 DEBDHM CC(=O)N1CCC[C@@H](Oc2nc3cc([N+](=O)[O-])c(C)cc3[n-]2)C1 ZINC001228673404 803392370 /nfs/dbraw/zinc/39/23/70/803392370.db2.gz GQPAKHVBTMTUEW-LLVKDONJSA-N -1 3 318.333 2.169 20 5 DEBDHM COC(=O)C1CCC(Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])CC1 ZINC001228687346 803395156 /nfs/dbraw/zinc/39/51/56/803395156.db2.gz VXCPQQZTNRTTDW-UHFFFAOYSA-N -1 3 310.306 2.114 20 5 DEBDHM C[C@H]1CCC[C@H](CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001576156886 949463626 /nfs/dbraw/zinc/46/36/26/949463626.db2.gz XLOOQJGUFCPRFD-UWVGGRQHSA-N -1 3 317.353 2.408 20 5 DEBDHM C[C@H]1CCC[C@H](CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001576156886 949463646 /nfs/dbraw/zinc/46/36/46/949463646.db2.gz XLOOQJGUFCPRFD-UWVGGRQHSA-N -1 3 317.353 2.408 20 5 DEBDHM O=C([O-])[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC001595191290 952283713 /nfs/dbraw/zinc/28/37/13/952283713.db2.gz KAMGXDMWPQNLIW-QWHCGFSZSA-N -1 3 308.309 2.277 20 5 DEBDHM COc1cc(CN(CC(=O)[O-])C(C)C)c([N+](=O)[O-])cc1F ZINC001599405030 970653889 /nfs/dbraw/zinc/65/38/89/970653889.db2.gz LPRZRLYTCGZLIG-UHFFFAOYSA-N -1 3 300.286 2.038 20 5 DEBDHM CCC[C@H](C)[C@H](CO)NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001595572242 981483323 /nfs/dbraw/zinc/48/33/23/981483323.db2.gz NJCLDAIFAHQAST-GWCFXTLKSA-N -1 3 310.350 2.180 20 5 DEBDHM C[C@]1(C(=O)[O-])CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC001593778559 996487739 /nfs/dbraw/zinc/48/77/39/996487739.db2.gz NBRSEMRDETVSLZ-HNNXBMFYSA-N -1 3 318.333 2.089 20 5 DEBDHM CC(C)CCOCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001603283338 1069931754 /nfs/dbraw/zinc/93/17/54/1069931754.db2.gz SAIGWVLQRULFRR-UHFFFAOYSA-N -1 3 320.353 2.250 20 5 DEBDHM CC(C)CCOCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001603283338 1069931765 /nfs/dbraw/zinc/93/17/65/1069931765.db2.gz SAIGWVLQRULFRR-UHFFFAOYSA-N -1 3 320.353 2.250 20 5 DEBDHM C[C@@H]1CCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@H]1F ZINC001603909854 1070146436 /nfs/dbraw/zinc/14/64/36/1070146436.db2.gz OZUZTLQEPQQWJL-XCBNKYQSSA-N -1 3 324.291 2.098 20 5 DEBDHM C[C@@H]1CCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@@H]1F ZINC001603909854 1070146440 /nfs/dbraw/zinc/14/64/40/1070146440.db2.gz OZUZTLQEPQQWJL-XCBNKYQSSA-N -1 3 324.291 2.098 20 5 DEBDHM C[C@H]1CCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H]1F ZINC001603909852 1070145503 /nfs/dbraw/zinc/14/55/03/1070145503.db2.gz OZUZTLQEPQQWJL-OIBJUYFYSA-N -1 3 324.291 2.098 20 5 DEBDHM C[C@H]1CCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H]1F ZINC001603909852 1070145507 /nfs/dbraw/zinc/14/55/07/1070145507.db2.gz OZUZTLQEPQQWJL-OIBJUYFYSA-N -1 3 324.291 2.098 20 5 DEBDHM CCOC[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(C)C ZINC001604421144 1070375673 /nfs/dbraw/zinc/37/56/73/1070375673.db2.gz DXQAOSQBIIBIHR-GFCCVEGCSA-N -1 3 320.353 2.248 20 5 DEBDHM CCOC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(C)C ZINC001604421144 1070375690 /nfs/dbraw/zinc/37/56/90/1070375690.db2.gz DXQAOSQBIIBIHR-GFCCVEGCSA-N -1 3 320.353 2.248 20 5 DEBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccsc1 ZINC001604807210 1070501200 /nfs/dbraw/zinc/50/12/00/1070501200.db2.gz JFWFCQDXUVKWNP-UHFFFAOYSA-N -1 3 316.346 2.473 20 5 DEBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccsc1 ZINC001604807210 1070501215 /nfs/dbraw/zinc/50/12/15/1070501215.db2.gz JFWFCQDXUVKWNP-UHFFFAOYSA-N -1 3 316.346 2.473 20 5 DEBDHM CN(Cc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC001604815907 1070505066 /nfs/dbraw/zinc/50/50/66/1070505066.db2.gz PIQWIGYJUNBEHU-UHFFFAOYSA-N -1 3 310.317 2.411 20 5 DEBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC001604815907 1070505077 /nfs/dbraw/zinc/50/50/77/1070505077.db2.gz PIQWIGYJUNBEHU-UHFFFAOYSA-N -1 3 310.317 2.411 20 5 DEBDHM Cc1cc(N[C@@H]2CS[C@@H](C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605723036 1070877224 /nfs/dbraw/zinc/87/72/24/1070877224.db2.gz GKQDBMOIEVQVSW-IUCAKERBSA-N -1 3 320.378 2.389 20 5 DEBDHM Cc1cc(N[C@@H]2CS[C@@H](C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605723036 1070877248 /nfs/dbraw/zinc/87/72/48/1070877248.db2.gz GKQDBMOIEVQVSW-IUCAKERBSA-N -1 3 320.378 2.389 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CCCC[C@@H]1F ZINC001607080135 1071288572 /nfs/dbraw/zinc/28/85/72/1071288572.db2.gz IUGPFBJUZGTHGZ-VHSXEESVSA-N -1 3 306.301 2.468 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCCC[C@@H]1F ZINC001607080135 1071288576 /nfs/dbraw/zinc/28/85/76/1071288576.db2.gz IUGPFBJUZGTHGZ-VHSXEESVSA-N -1 3 306.301 2.468 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CC[C@@]2(CC2(F)F)C1 ZINC001607082751 1071290908 /nfs/dbraw/zinc/29/09/08/1071290908.db2.gz RNFQRQLMRQKXKA-GFCCVEGCSA-N -1 3 322.275 2.010 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CC[C@@]2(CC2(F)F)C1 ZINC001607082751 1071290914 /nfs/dbraw/zinc/29/09/14/1071290914.db2.gz RNFQRQLMRQKXKA-GFCCVEGCSA-N -1 3 322.275 2.010 20 5 DEBDHM CC(C)[C@]1(C)C[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001463907169 1059043382 /nfs/dbraw/zinc/04/33/82/1059043382.db2.gz XGARMSWOJWGFSN-STQMWFEESA-N -1 3 316.354 2.447 20 5 DEBDHM Cc1ccc2c(c1)OCCN2C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001566173243 1075236945 /nfs/dbraw/zinc/23/69/45/1075236945.db2.gz RFMOGWZKXAZXTN-UHFFFAOYSA-N -1 3 315.285 2.043 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1SCc1ccccc1 ZINC001582803994 1076185514 /nfs/dbraw/zinc/18/55/14/1076185514.db2.gz ZFYYAVBJCINQKN-UHFFFAOYSA-N -1 3 314.330 2.462 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1SCc1ccccc1 ZINC001582803994 1076185517 /nfs/dbraw/zinc/18/55/17/1076185517.db2.gz ZFYYAVBJCINQKN-UHFFFAOYSA-N -1 3 314.330 2.462 20 5 DEBDHM O=C([N-]Cc1ccns1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001584764317 1076318722 /nfs/dbraw/zinc/31/87/22/1076318722.db2.gz HSATWXWKXOLSAG-UHFFFAOYSA-N -1 3 313.285 2.460 20 5 DEBDHM CC(C)[C@H](C)C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589435617 1076489369 /nfs/dbraw/zinc/48/93/69/1076489369.db2.gz KLPNZBKOXOIIDF-VIFPVBQESA-N -1 3 319.321 2.110 20 5 DEBDHM CC(C)[C@H](C)C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589435617 1076489372 /nfs/dbraw/zinc/48/93/72/1076489372.db2.gz KLPNZBKOXOIIDF-VIFPVBQESA-N -1 3 319.321 2.110 20 5 DEBDHM CC(C)[C@]1(C)C[C@H]1Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589489885 1076491370 /nfs/dbraw/zinc/49/13/70/1076491370.db2.gz FDYYBCXDSFGGAI-MFKMUULPSA-N -1 3 303.326 2.016 20 5 DEBDHM CC(C)[C@]1(C)C[C@H]1Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589489885 1076491372 /nfs/dbraw/zinc/49/13/72/1076491372.db2.gz FDYYBCXDSFGGAI-MFKMUULPSA-N -1 3 303.326 2.016 20 5 DEBDHM CC(C)[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001589507338 1076493674 /nfs/dbraw/zinc/49/36/74/1076493674.db2.gz IGMNSKNKDZTQGM-JTQLQIEISA-N -1 3 317.353 2.042 20 5 DEBDHM CC(C)[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001589507338 1076493679 /nfs/dbraw/zinc/49/36/79/1076493679.db2.gz IGMNSKNKDZTQGM-JTQLQIEISA-N -1 3 317.353 2.042 20 5 DEBDHM C[C@H]1CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C[C@H]1C ZINC001590276919 1076605513 /nfs/dbraw/zinc/60/55/13/1076605513.db2.gz RLEGBZXFUMXTJP-VHSXEESVSA-N -1 3 302.338 2.257 20 5 DEBDHM C[C@H]1CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C[C@H]1C ZINC001590276919 1076605515 /nfs/dbraw/zinc/60/55/15/1076605515.db2.gz RLEGBZXFUMXTJP-VHSXEESVSA-N -1 3 302.338 2.257 20 5 DEBDHM CC[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ncc[nH]1 ZINC001590474143 1076637143 /nfs/dbraw/zinc/63/71/43/1076637143.db2.gz YVLQFLHEEPFKKV-VIFPVBQESA-N -1 3 314.309 2.061 20 5 DEBDHM CC[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ncc[nH]1 ZINC001590474143 1076637145 /nfs/dbraw/zinc/63/71/45/1076637145.db2.gz YVLQFLHEEPFKKV-VIFPVBQESA-N -1 3 314.309 2.061 20 5 DEBDHM CN(C[Si](C)(C)C)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591125335 1076710026 /nfs/dbraw/zinc/71/00/26/1076710026.db2.gz HIYKWPOKRBCWNO-UHFFFAOYSA-N -1 3 306.402 2.089 20 5 DEBDHM CN(C[Si](C)(C)C)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591125335 1076710028 /nfs/dbraw/zinc/71/00/28/1076710028.db2.gz HIYKWPOKRBCWNO-UHFFFAOYSA-N -1 3 306.402 2.089 20 5 DEBDHM CN(Cc1ccoc1)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591150035 1076714601 /nfs/dbraw/zinc/71/46/01/1076714601.db2.gz IZSSOKUVKRTXOY-UHFFFAOYSA-N -1 3 300.278 2.004 20 5 DEBDHM CN(Cc1ccoc1)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591150035 1076714605 /nfs/dbraw/zinc/71/46/05/1076714605.db2.gz IZSSOKUVKRTXOY-UHFFFAOYSA-N -1 3 300.278 2.004 20 5 DEBDHM COC1(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCCC1 ZINC001591343314 1076728929 /nfs/dbraw/zinc/72/89/29/1076728929.db2.gz RXOHBVNILVJCOI-UHFFFAOYSA-N -1 3 318.337 2.146 20 5 DEBDHM COC1(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCCC1 ZINC001591343314 1076728932 /nfs/dbraw/zinc/72/89/32/1076728932.db2.gz RXOHBVNILVJCOI-UHFFFAOYSA-N -1 3 318.337 2.146 20 5 DEBDHM COc1cc(C=Cc2ccc([N+](=O)[O-])cn2)ccc1-c1nnn[n-]1 ZINC001591522788 1076754304 /nfs/dbraw/zinc/75/43/04/1076754304.db2.gz MECSSFKSGYVGKH-DUXPYHPUSA-N -1 3 324.300 2.349 20 5 DEBDHM COc1cc(C=Cc2ccc([N+](=O)[O-])cn2)ccc1-c1nn[n-]n1 ZINC001591522788 1076754308 /nfs/dbraw/zinc/75/43/08/1076754308.db2.gz MECSSFKSGYVGKH-DUXPYHPUSA-N -1 3 324.300 2.349 20 5 DEBDHM C[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccc([N+](=O)[O-])cc1 ZINC001591730589 1076779812 /nfs/dbraw/zinc/77/98/12/1076779812.db2.gz XOTYZBXONIAYTF-SECBINFHSA-N -1 3 314.305 2.219 20 5 DEBDHM C[C@@H](NCc1ccc(-c2nn[n-]n2)o1)c1ccc([N+](=O)[O-])cc1 ZINC001591730589 1076779814 /nfs/dbraw/zinc/77/98/14/1076779814.db2.gz XOTYZBXONIAYTF-SECBINFHSA-N -1 3 314.305 2.219 20 5 DEBDHM Cc1ccc(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])s1 ZINC001592167739 1076866124 /nfs/dbraw/zinc/86/61/24/1076866124.db2.gz QMTVCAGOGTXILT-UHFFFAOYSA-N -1 3 317.334 2.152 20 5 DEBDHM Cc1ccc(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])s1 ZINC001592167739 1076866127 /nfs/dbraw/zinc/86/61/27/1076866127.db2.gz QMTVCAGOGTXILT-UHFFFAOYSA-N -1 3 317.334 2.152 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC001593470847 1077006869 /nfs/dbraw/zinc/00/68/69/1077006869.db2.gz ONYPBRXJZFBOSV-MKPLZMMCSA-N -1 3 300.322 2.375 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC001593470847 1077006876 /nfs/dbraw/zinc/00/68/76/1077006876.db2.gz ONYPBRXJZFBOSV-MKPLZMMCSA-N -1 3 300.322 2.375 20 5 DEBDHM O=[N+]([O-])c1cc(C=Cc2ccncc2-c2nnn[n-]2)cs1 ZINC001593473220 1077007595 /nfs/dbraw/zinc/00/75/95/1077007595.db2.gz QRMYIFWUYRQTOA-OWOJBTEDSA-N -1 3 300.303 2.402 20 5 DEBDHM O=[N+]([O-])c1cc(C=Cc2ccncc2-c2nn[n-]n2)cs1 ZINC001593473220 1077007598 /nfs/dbraw/zinc/00/75/98/1077007598.db2.gz QRMYIFWUYRQTOA-OWOJBTEDSA-N -1 3 300.303 2.402 20 5 DEBDHM O=[N+]([O-])c1ccc(SC[C@H]2CCCO2)c(-c2nnn[n-]2)c1 ZINC001593479347 1077009245 /nfs/dbraw/zinc/00/92/45/1077009245.db2.gz CSYNLUXXOOYGML-SECBINFHSA-N -1 3 307.335 2.046 20 5 DEBDHM O=[N+]([O-])c1ccc(SC[C@H]2CCCO2)c(-c2nn[n-]n2)c1 ZINC001593479347 1077009249 /nfs/dbraw/zinc/00/92/49/1077009249.db2.gz CSYNLUXXOOYGML-SECBINFHSA-N -1 3 307.335 2.046 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1COc1ccc(F)cc1 ZINC001593482232 1077009323 /nfs/dbraw/zinc/00/93/23/1077009323.db2.gz NKZXWIQXZAEMCN-UHFFFAOYSA-N -1 3 315.264 2.493 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1COc1ccc(F)cc1 ZINC001593482232 1077009331 /nfs/dbraw/zinc/00/93/31/1077009331.db2.gz NKZXWIQXZAEMCN-UHFFFAOYSA-N -1 3 315.264 2.493 20 5 DEBDHM O=[N+]([O-])c1ccc(SCc2ccccn2)c(-c2nnn[n-]2)c1 ZINC001593479721 1077010166 /nfs/dbraw/zinc/01/01/66/1077010166.db2.gz SCGFOMFMYAKFLY-UHFFFAOYSA-N -1 3 314.330 2.462 20 5 DEBDHM O=[N+]([O-])c1ccc(SCc2ccccn2)c(-c2nn[n-]n2)c1 ZINC001593479721 1077010172 /nfs/dbraw/zinc/01/01/72/1077010172.db2.gz SCGFOMFMYAKFLY-UHFFFAOYSA-N -1 3 314.330 2.462 20 5 DEBDHM O=[N+]([O-])c1cnc(NCC[C@@H]2CC=CCC2)c(-c2nnn[n-]2)c1 ZINC001593485579 1077011784 /nfs/dbraw/zinc/01/17/84/1077011784.db2.gz UUCZTTYIJRDEOC-SNVBAGLBSA-N -1 3 315.337 2.328 20 5 DEBDHM O=[N+]([O-])c1cnc(NCC[C@@H]2CC=CCC2)c(-c2nn[n-]n2)c1 ZINC001593485579 1077011786 /nfs/dbraw/zinc/01/17/86/1077011786.db2.gz UUCZTTYIJRDEOC-SNVBAGLBSA-N -1 3 315.337 2.328 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCCc1cccs1 ZINC001609601133 1077881415 /nfs/dbraw/zinc/88/14/15/1077881415.db2.gz BMADVFOLNWAPCD-UHFFFAOYSA-N -1 3 316.346 2.491 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCCc1cccs1 ZINC001609601133 1077881418 /nfs/dbraw/zinc/88/14/18/1077881418.db2.gz BMADVFOLNWAPCD-UHFFFAOYSA-N -1 3 316.346 2.491 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@@H]1CCC[C@@H](F)C1 ZINC001609602798 1077882114 /nfs/dbraw/zinc/88/21/14/1077882114.db2.gz IPUDLBFFOULNGC-RKDXNWHRSA-N -1 3 306.301 2.468 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@@H]1CCC[C@@H](F)C1 ZINC001609602798 1077882119 /nfs/dbraw/zinc/88/21/19/1077882119.db2.gz IPUDLBFFOULNGC-RKDXNWHRSA-N -1 3 306.301 2.468 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CN1CCCC(F)(F)C1 ZINC001609602946 1077882466 /nfs/dbraw/zinc/88/24/66/1077882466.db2.gz QKZZKYLZEWDMRU-UHFFFAOYSA-N -1 3 324.291 2.006 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CN1CCCC(F)(F)C1 ZINC001609602946 1077882468 /nfs/dbraw/zinc/88/24/68/1077882468.db2.gz QKZZKYLZEWDMRU-UHFFFAOYSA-N -1 3 324.291 2.006 20 5 DEBDHM CCNC(=O)c1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001650628012 1079764800 /nfs/dbraw/zinc/76/48/00/1079764800.db2.gz YGVYXSKLIQTXAE-UHFFFAOYSA-N -1 3 316.317 2.057 20 5 DEBDHM O=c1[n-]ccc(NC[C@@H](CO)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC001651942728 1079842977 /nfs/dbraw/zinc/84/29/77/1079842977.db2.gz PQBWAMLNEVKXRP-JTQLQIEISA-N -1 3 307.281 2.023 20 5 DEBDHM O=[N+]([O-])c1ccc(SCCc2nnn[n-]2)cc1OC(F)F ZINC001655591332 1080007881 /nfs/dbraw/zinc/00/78/81/1080007881.db2.gz QSZKQAXUHRIEDI-UHFFFAOYSA-N -1 3 317.277 2.044 20 5 DEBDHM O=[N+]([O-])c1ccc(SCCc2nn[n-]n2)cc1OC(F)F ZINC001655591332 1080007887 /nfs/dbraw/zinc/00/78/87/1080007887.db2.gz QSZKQAXUHRIEDI-UHFFFAOYSA-N -1 3 317.277 2.044 20 5 DEBDHM Cc1nc(N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)ncc1[N+](=O)[O-] ZINC001655892431 1080023815 /nfs/dbraw/zinc/02/38/15/1080023815.db2.gz DCDNNVGYQOGXEW-YFKPBYRVSA-N -1 3 317.231 2.003 20 5 DEBDHM CC(C)CCC(=O)NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107067337 1080573587 /nfs/dbraw/zinc/57/35/87/1080573587.db2.gz CEDWBANRQFRSBV-ONEGZZNKSA-N -1 3 322.365 2.216 20 5 DEBDHM O=c1[n-]cc(-c2nnc(Cc3cccc(F)c3)o2)cc1[N+](=O)[O-] ZINC001258544152 1144018257 /nfs/dbraw/zinc/01/82/57/1144018257.db2.gz DGIRNLVTINKYJX-UHFFFAOYSA-N -1 3 316.248 2.475 20 5 DEBDHM CSC[C@H](C)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189980728 186258658 /nfs/dbraw/zinc/25/86/58/186258658.db2.gz LYXQECORISNWDX-JTQLQIEISA-N -1 3 318.420 2.241 20 5 DEBDHM Cc1cnc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)s1 ZINC000044653486 354240325 /nfs/dbraw/zinc/24/03/25/354240325.db2.gz KHUPGMIIDXBJRJ-UHFFFAOYSA-N -1 3 303.303 2.488 20 5 DEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccccc1 ZINC000055941903 354517896 /nfs/dbraw/zinc/51/78/96/354517896.db2.gz HKYTULVOZOQUCZ-UHFFFAOYSA-N -1 3 306.343 2.382 20 5 DEBDHM CC(=O)c1cc2c(cc1[N-]C(=O)c1ccc([N+](=O)[O-])o1)OCO2 ZINC000069478185 354866378 /nfs/dbraw/zinc/86/63/78/354866378.db2.gz FQXZJHXMTMJYLX-UHFFFAOYSA-N -1 3 318.241 2.371 20 5 DEBDHM CC1CC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000080815652 355388863 /nfs/dbraw/zinc/38/88/63/355388863.db2.gz QILKFXXSLHSABS-UHFFFAOYSA-N -1 3 304.755 2.325 20 5 DEBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCS[C@H]2C)cc1[N+](=O)[O-] ZINC000592109865 357832481 /nfs/dbraw/zinc/83/24/81/357832481.db2.gz FSQAYMZTICMRMD-XPUUQOCRSA-N -1 3 322.433 2.137 20 5 DEBDHM COCCN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])CC(C)C ZINC000593734421 358132555 /nfs/dbraw/zinc/13/25/55/358132555.db2.gz HYRUIBORTKKIIC-UHFFFAOYSA-N -1 3 310.350 2.397 20 5 DEBDHM Cc1sc(S(=O)(=O)[N-]CC2=CCCC2)cc1[N+](=O)[O-] ZINC000595361693 358430790 /nfs/dbraw/zinc/43/07/90/358430790.db2.gz ZTZBTJGPLXFOSX-UHFFFAOYSA-N -1 3 302.377 2.353 20 5 DEBDHM O=c1[n-]ccc(NCCN2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000596087454 358607763 /nfs/dbraw/zinc/60/77/63/358607763.db2.gz FOWUVPSOZZRHOV-UHFFFAOYSA-N -1 3 320.374 2.227 20 5 DEBDHM O=c1[n-]ccc(N[C@@H]2CCO[C@@H](c3ccncc3)C2)c1[N+](=O)[O-] ZINC000596257799 358653549 /nfs/dbraw/zinc/65/35/49/358653549.db2.gz MMJOULPHRUMXPH-DGCLKSJQSA-N -1 3 316.317 2.423 20 5 DEBDHM Cc1sc(S(=O)(=O)[N-]CC2CC(C)C2)cc1[N+](=O)[O-] ZINC000598623829 359265658 /nfs/dbraw/zinc/26/56/58/359265658.db2.gz SRJQVYDYVHZBKK-UHFFFAOYSA-N -1 3 304.393 2.289 20 5 DEBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000602997313 360661900 /nfs/dbraw/zinc/66/19/00/360661900.db2.gz HNMJQUDKTPOONO-BPUTZDHNSA-N -1 3 306.362 2.426 20 5 DEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1SCCc1nnn[n-]1 ZINC000603393922 360815745 /nfs/dbraw/zinc/81/57/45/360815745.db2.gz CFSXTSBPGVVPJY-UHFFFAOYSA-N -1 3 319.268 2.462 20 5 DEBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1SCCc1nn[n-]n1 ZINC000603393922 360815748 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/nfs/dbraw/zinc/06/74/33/794067433.db2.gz UKDSIBKIHSPPDG-UHFFFAOYSA-N -1 3 319.321 2.289 20 5 DEBDHM CC(=O)NCc1ccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001185330769 796241059 /nfs/dbraw/zinc/24/10/59/796241059.db2.gz DZRNDMOZTRFXGX-UHFFFAOYSA-N -1 3 302.290 2.075 20 5 DEBDHM Cc1nc(-c2noc(-c3c[n-]c(=O)c([N+](=O)[O-])c3)n2)ccc1F ZINC001212843799 799456328 /nfs/dbraw/zinc/45/63/28/799456328.db2.gz CLUJJISPWQIIMC-UHFFFAOYSA-N -1 3 317.236 2.255 20 5 DEBDHM CC(C)CCOC(=O)[C@@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227691514 803268179 /nfs/dbraw/zinc/26/81/79/803268179.db2.gz PABLNMIZJXSOCD-SECBINFHSA-N -1 3 322.321 2.223 20 5 DEBDHM CO[C@@H](C)CO[C@@H](C)COc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227743863 803274069 /nfs/dbraw/zinc/27/40/69/803274069.db2.gz ZNKBHEYPWZGFQN-UWVGGRQHSA-N -1 3 309.322 2.290 20 5 DEBDHM CO[C@@H](C)CO[C@@H](C)COc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227743863 803274074 /nfs/dbraw/zinc/27/40/74/803274074.db2.gz ZNKBHEYPWZGFQN-UWVGGRQHSA-N -1 3 309.322 2.290 20 5 DEBDHM O=[N+]([O-])c1ccc2nc(OC3CCN(CCF)CC3)[n-]c2c1 ZINC001227742439 803274168 /nfs/dbraw/zinc/27/41/68/803274168.db2.gz AHHQCYJTGCXNFR-UHFFFAOYSA-N -1 3 308.313 2.284 20 5 DEBDHM O=[N+]([O-])c1ccc2[n-]c(OC3CCN(CCF)CC3)nc2c1 ZINC001227742439 803274174 /nfs/dbraw/zinc/27/41/74/803274174.db2.gz AHHQCYJTGCXNFR-UHFFFAOYSA-N -1 3 308.313 2.284 20 5 DEBDHM COc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC001594067608 958152295 /nfs/dbraw/zinc/15/22/95/958152295.db2.gz GFBITDWCHPKYGS-JQWIXIFHSA-N -1 3 308.334 2.289 20 5 DEBDHM CN(C)C1(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCCC1 ZINC001598178096 990732954 /nfs/dbraw/zinc/73/29/54/990732954.db2.gz BSYWSUVPDJQGEY-UHFFFAOYSA-N -1 3 321.333 2.106 20 5 DEBDHM C[C@@H]1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC001603879608 1070134404 /nfs/dbraw/zinc/13/44/04/1070134404.db2.gz BXPZPELCKOCCAN-WCABBAIRSA-N -1 3 317.353 2.407 20 5 DEBDHM C[C@@H]1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC001603879608 1070134412 /nfs/dbraw/zinc/13/44/12/1070134412.db2.gz BXPZPELCKOCCAN-WCABBAIRSA-N -1 3 317.353 2.407 20 5 DEBDHM C[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC(C)(C)C1 ZINC001603940261 1070153319 /nfs/dbraw/zinc/15/33/19/1070153319.db2.gz FGGIVUPHGDYPGB-VIFPVBQESA-N -1 3 317.353 2.042 20 5 DEBDHM C[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC(C)(C)C1 ZINC001603940261 1070153323 /nfs/dbraw/zinc/15/33/23/1070153323.db2.gz FGGIVUPHGDYPGB-VIFPVBQESA-N -1 3 317.353 2.042 20 5 DEBDHM CCC(C)(C)OCCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603984724 1070163959 /nfs/dbraw/zinc/16/39/59/1070163959.db2.gz SSOKLVRGCPANTK-UHFFFAOYSA-N -1 3 320.353 2.392 20 5 DEBDHM CCC(C)(C)OCCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001603984724 1070163963 /nfs/dbraw/zinc/16/39/63/1070163963.db2.gz SSOKLVRGCPANTK-UHFFFAOYSA-N -1 3 320.353 2.392 20 5 DEBDHM CO[C@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])CC(C)C ZINC001605009965 1070565989 /nfs/dbraw/zinc/56/59/89/1070565989.db2.gz XZOGXPJFYWXIKT-JTQLQIEISA-N -1 3 320.353 2.248 20 5 DEBDHM CO[C@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])CC(C)C ZINC001605009965 1070566002 /nfs/dbraw/zinc/56/60/02/1070566002.db2.gz XZOGXPJFYWXIKT-JTQLQIEISA-N -1 3 320.353 2.248 20 5 DEBDHM Cc1cc([N+](=O)[O-])ccc1NCc1ccc(-c2nnn[n-]2)cn1 ZINC001605755227 1070896321 /nfs/dbraw/zinc/89/63/21/1070896321.db2.gz GCQVZINIWKFYTG-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1cc([N+](=O)[O-])ccc1NCc1ccc(-c2nn[n-]n2)cn1 ZINC001605755227 1070896337 /nfs/dbraw/zinc/89/63/37/1070896337.db2.gz GCQVZINIWKFYTG-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC001605870478 1070957521 /nfs/dbraw/zinc/95/75/21/1070957521.db2.gz KIGJZMNIPGVTPK-UHFFFAOYSA-N -1 3 324.300 2.336 20 5 DEBDHM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC001605870478 1070957530 /nfs/dbraw/zinc/95/75/30/1070957530.db2.gz KIGJZMNIPGVTPK-UHFFFAOYSA-N -1 3 324.300 2.336 20 5 DEBDHM Cc1ccoc1CN(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001605965606 1070991568 /nfs/dbraw/zinc/99/15/68/1070991568.db2.gz SPVSKQHMJOAHDH-UHFFFAOYSA-N -1 3 314.305 2.313 20 5 DEBDHM Cc1ccoc1CN(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001605965606 1070991572 /nfs/dbraw/zinc/99/15/72/1070991572.db2.gz SPVSKQHMJOAHDH-UHFFFAOYSA-N -1 3 314.305 2.313 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1C[C@H]1C(F)(F)F ZINC001607080798 1071291532 /nfs/dbraw/zinc/29/15/32/1071291532.db2.gz PDYKRLYHHWJYCV-HTRCEHHLSA-N -1 3 314.227 2.138 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1C[C@H]1C(F)(F)F ZINC001607080798 1071291541 /nfs/dbraw/zinc/29/15/41/1071291541.db2.gz PDYKRLYHHWJYCV-HTRCEHHLSA-N -1 3 314.227 2.138 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC[C@H]1CCCCS1 ZINC001607084397 1071293490 /nfs/dbraw/zinc/29/34/90/1071293490.db2.gz CUMQTCILFBMYCM-SECBINFHSA-N -1 3 320.378 2.473 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC[C@H]1CCCCS1 ZINC001607084397 1071293495 /nfs/dbraw/zinc/29/34/95/1071293495.db2.gz CUMQTCILFBMYCM-SECBINFHSA-N -1 3 320.378 2.473 20 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O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1Sc1ccncc1 ZINC001582804483 1076185147 /nfs/dbraw/zinc/18/51/47/1076185147.db2.gz UUHHYJMTSYMWSG-UHFFFAOYSA-N -1 3 300.303 2.321 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1Sc1ccncc1 ZINC001582804483 1076185150 /nfs/dbraw/zinc/18/51/50/1076185150.db2.gz UUHHYJMTSYMWSG-UHFFFAOYSA-N -1 3 300.303 2.321 20 5 DEBDHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(C)(C)C ZINC001589880932 1076523593 /nfs/dbraw/zinc/52/35/93/1076523593.db2.gz MPBVNPMWOGDSJC-QMMMGPOBSA-N -1 3 305.342 2.264 20 5 DEBDHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(C)(C)C ZINC001589880932 1076523598 /nfs/dbraw/zinc/52/35/98/1076523598.db2.gz MPBVNPMWOGDSJC-QMMMGPOBSA-N -1 3 305.342 2.264 20 5 DEBDHM C[C@@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)[C@@H](C)O1 ZINC001590193747 1076581632 /nfs/dbraw/zinc/58/16/32/1076581632.db2.gz TUIDRVWRUPSFEN-OPRDCNLKSA-N -1 3 318.337 2.000 20 5 DEBDHM C[C@@H]1CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C[C@@H]1C ZINC001590276920 1076605561 /nfs/dbraw/zinc/60/55/61/1076605561.db2.gz RLEGBZXFUMXTJP-ZJUUUORDSA-N -1 3 302.338 2.257 20 5 DEBDHM C[C@@H]1CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C[C@@H]1C ZINC001590276920 1076605562 /nfs/dbraw/zinc/60/55/62/1076605562.db2.gz RLEGBZXFUMXTJP-ZJUUUORDSA-N -1 3 302.338 2.257 20 5 DEBDHM CC[C@H](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)OC ZINC001590399475 1076619311 /nfs/dbraw/zinc/61/93/11/1076619311.db2.gz GFPNUBCNYWNRFW-TVQRCGJNSA-N -1 3 320.353 2.248 20 5 DEBDHM CC[C@H](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)OC ZINC001590399475 1076619314 /nfs/dbraw/zinc/61/93/14/1076619314.db2.gz GFPNUBCNYWNRFW-TVQRCGJNSA-N -1 3 320.353 2.248 20 5 DEBDHM CCC[C@H](C)C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590548946 1076650155 /nfs/dbraw/zinc/65/01/55/1076650155.db2.gz ZOIDSDDJPMYVSW-VIFPVBQESA-N -1 3 319.321 2.254 20 5 DEBDHM CCC[C@H](C)C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590548946 1076650156 /nfs/dbraw/zinc/65/01/56/1076650156.db2.gz ZOIDSDDJPMYVSW-VIFPVBQESA-N -1 3 319.321 2.254 20 5 DEBDHM CN(c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)C1CC(C)(C)C1 ZINC001591155582 1076715367 /nfs/dbraw/zinc/71/53/67/1076715367.db2.gz ZOPJRRRUNONCJJ-UHFFFAOYSA-N -1 3 302.338 2.400 20 5 DEBDHM CSC1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001591694105 1076774167 /nfs/dbraw/zinc/77/41/67/1076774167.db2.gz ZEQASEOCIRLNNP-UHFFFAOYSA-N -1 3 320.378 2.107 20 5 DEBDHM CSC1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001591694105 1076774170 /nfs/dbraw/zinc/77/41/70/1076774170.db2.gz ZEQASEOCIRLNNP-UHFFFAOYSA-N -1 3 320.378 2.107 20 5 DEBDHM Cc1nc(NCc2ccc(-c3nnn[n-]3)s2)ccc1[N+](=O)[O-] ZINC001592395315 1076909565 /nfs/dbraw/zinc/90/95/65/1076909565.db2.gz GNBGVRUHGLIUPD-UHFFFAOYSA-N -1 3 317.334 2.152 20 5 DEBDHM Cc1occc1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001592512384 1076923317 /nfs/dbraw/zinc/92/33/17/1076923317.db2.gz QTVDVIXXHCTGLP-UHFFFAOYSA-N -1 3 300.278 2.288 20 5 DEBDHM Cc1occc1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001592512384 1076923320 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O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1Sc1ccncc1 ZINC001593475214 1077008356 /nfs/dbraw/zinc/00/83/56/1077008356.db2.gz LZCXJSFVPOAJIE-UHFFFAOYSA-N -1 3 300.303 2.321 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1Sc1ccncc1 ZINC001593475214 1077008362 /nfs/dbraw/zinc/00/83/62/1077008362.db2.gz LZCXJSFVPOAJIE-UHFFFAOYSA-N -1 3 300.303 2.321 20 5 DEBDHM O=[N+]([O-])c1ccc(SC[C@@H]2CCCO2)c(-c2nnn[n-]2)c1 ZINC001593479348 1077009723 /nfs/dbraw/zinc/00/97/23/1077009723.db2.gz CSYNLUXXOOYGML-VIFPVBQESA-N -1 3 307.335 2.046 20 5 DEBDHM O=[N+]([O-])c1ccc(SC[C@@H]2CCCO2)c(-c2nn[n-]n2)c1 ZINC001593479348 1077009730 /nfs/dbraw/zinc/00/97/30/1077009730.db2.gz CSYNLUXXOOYGML-VIFPVBQESA-N -1 3 307.335 2.046 20 5 DEBDHM O=[N+]([O-])c1sccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC001593487988 1077011372 /nfs/dbraw/zinc/01/13/72/1077011372.db2.gz BMDVQLAOJKETEW-UHFFFAOYSA-N -1 3 303.303 2.415 20 5 DEBDHM O=[N+]([O-])c1sccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC001593487988 1077011379 /nfs/dbraw/zinc/01/13/79/1077011379.db2.gz 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Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(C)cc1[O-] ZINC000068999685 402211066 /nfs/dbraw/zinc/21/10/66/402211066.db2.gz WPTAEYDOUQMBHB-UHFFFAOYSA-N -1 3 304.306 2.143 20 5 DEBDHM COc1ccc([N-]C(=O)c2ccc(C(N)=O)s2)c([N+](=O)[O-])c1 ZINC000171299151 402575481 /nfs/dbraw/zinc/57/54/81/402575481.db2.gz QUADVFMFNVDCTG-UHFFFAOYSA-N -1 3 321.314 2.016 20 5 DEBDHM CCc1ccc(C(=O)[N-]c2nc(COC)ns2)cc1[N+](=O)[O-] ZINC000273135421 402975217 /nfs/dbraw/zinc/97/52/17/402975217.db2.gz UMUDUUVFFOCVIO-UHFFFAOYSA-N -1 3 322.346 2.407 20 5 DEBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2F)c([N+](=O)[O-])c1 ZINC000339121910 403362278 /nfs/dbraw/zinc/36/22/78/403362278.db2.gz AKUSQTQXUTZZRG-ZJUUUORDSA-N -1 3 302.327 2.072 20 5 DEBDHM COCCCO[N-]C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000288079735 403720973 /nfs/dbraw/zinc/72/09/73/403720973.db2.gz JVACSURBULSVBS-UHFFFAOYSA-N -1 3 322.239 2.312 20 5 DEBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000295424321 403917524 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DEBDHM O=C(NC[C@@H]1CCCCN1C1CC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436907106 405161105 /nfs/dbraw/zinc/16/11/05/405161105.db2.gz DIGCISRYSXGEQS-LBPRGKRZSA-N -1 3 319.361 2.047 20 5 DEBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CS[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000416597768 405194678 /nfs/dbraw/zinc/19/46/78/405194678.db2.gz SJZRYJNTKFTKGG-ZJUUUORDSA-N -1 3 316.404 2.076 20 5 DEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CC12CC2 ZINC000416650533 405208095 /nfs/dbraw/zinc/20/80/95/405208095.db2.gz QNTGIOQOSVPIOI-QMMMGPOBSA-N -1 3 316.766 2.327 20 5 DEBDHM COC(=O)c1cc(C(=O)[N-]c2ccncc2F)cc([N+](=O)[O-])c1 ZINC000132325975 196246651 /nfs/dbraw/zinc/24/66/51/196246651.db2.gz RIKNLPFWSXIMMB-UHFFFAOYSA-N -1 3 319.248 2.168 20 5 DEBDHM O=C([N-]c1nnc2ccccn21)c1ccc([N+](=O)[O-])cc1F ZINC000054773572 418480838 /nfs/dbraw/zinc/48/08/38/418480838.db2.gz SCIUBXGGQKJAMS-UHFFFAOYSA-N -1 3 301.237 2.029 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2noc([N-]Cc3nccs3)n2)cc1 ZINC000359449335 424828603 /nfs/dbraw/zinc/82/86/03/424828603.db2.gz IENWWAJFUPHIPP-UHFFFAOYSA-N -1 3 303.303 2.713 20 5 DEBDHM CC1(C)OCC[C@@H]1[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000450636247 425078384 /nfs/dbraw/zinc/07/83/84/425078384.db2.gz DCEDWEBEGOEFDP-NSHDSACASA-N -1 3 304.306 2.624 20 5 DEBDHM CCO[C@@H]1CCC[C@H]1[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000450945787 425083764 /nfs/dbraw/zinc/08/37/64/425083764.db2.gz WMGJHQYATLWIIO-CHWSQXEVSA-N -1 3 318.333 3.014 20 5 DEBDHM C[C@H](C1CCN(C)CC1)N(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000273285953 298272028 /nfs/dbraw/zinc/27/20/28/298272028.db2.gz BHSJXDAWQUEAFJ-LLVKDONJSA-N -1 3 321.377 2.103 20 5 DEBDHM CC(C)O[N-]C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000295740855 528049868 /nfs/dbraw/zinc/04/98/68/528049868.db2.gz STLLFJXSAHUPHZ-UHFFFAOYSA-N -1 3 303.112 2.427 20 5 DEBDHM CC(C)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000820043926 599054236 /nfs/dbraw/zinc/05/42/36/599054236.db2.gz CRPZSROCONLTRQ-UHFFFAOYSA-N -1 3 317.353 2.042 20 5 DEBDHM CC(C)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000820043926 599054238 /nfs/dbraw/zinc/05/42/38/599054238.db2.gz CRPZSROCONLTRQ-UHFFFAOYSA-N -1 3 317.353 2.042 20 5 DEBDHM CCN(Cc1ccoc1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736555788 598352873 /nfs/dbraw/zinc/35/28/73/598352873.db2.gz MRPJIPCQLKJEKJ-UHFFFAOYSA-N -1 3 314.305 2.394 20 5 DEBDHM CCN(Cc1ccoc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736555788 598352874 /nfs/dbraw/zinc/35/28/74/598352874.db2.gz MRPJIPCQLKJEKJ-UHFFFAOYSA-N -1 3 314.305 2.394 20 5 DEBDHM CCCC[C@H](COC)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736436219 599442324 /nfs/dbraw/zinc/44/23/24/599442324.db2.gz BKFHORXDIDMJDU-LLVKDONJSA-N -1 3 320.353 2.392 20 5 DEBDHM CCCC[C@H](COC)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736436219 599442325 /nfs/dbraw/zinc/44/23/25/599442325.db2.gz BKFHORXDIDMJDU-LLVKDONJSA-N -1 3 320.353 2.392 20 5 DEBDHM C[C@@H]1[C@@H](C)CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820709472 599578915 /nfs/dbraw/zinc/57/89/15/599578915.db2.gz JJCJIJGJYHBVBK-VHSXEESVSA-N -1 3 302.338 2.400 20 5 DEBDHM C[C@@H]1[C@@H](C)CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820709472 599578916 /nfs/dbraw/zinc/57/89/16/599578916.db2.gz JJCJIJGJYHBVBK-VHSXEESVSA-N -1 3 302.338 2.400 20 5 DEBDHM C[C@H]1c2ccccc2CN1c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820827374 606137478 /nfs/dbraw/zinc/13/74/78/606137478.db2.gz SFYFXAXPMHAWQE-VIFPVBQESA-N -1 3 323.316 2.251 20 5 DEBDHM C[C@H]1c2ccccc2CN1c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820827374 606137479 /nfs/dbraw/zinc/13/74/79/606137479.db2.gz SFYFXAXPMHAWQE-VIFPVBQESA-N -1 3 323.316 2.251 20 5 DEBDHM O=[N+]([O-])c1ccc2nc(NCC3CC3)cc(-c3nnn[n-]3)c2c1 ZINC000823645213 606447692 /nfs/dbraw/zinc/44/76/92/606447692.db2.gz PRONJXROQMEIRD-UHFFFAOYSA-N -1 3 311.305 2.145 20 5 DEBDHM O=[N+]([O-])c1ccc2nc(NCC3CC3)cc(-c3nn[n-]n3)c2c1 ZINC000823645213 606447693 /nfs/dbraw/zinc/44/76/93/606447693.db2.gz PRONJXROQMEIRD-UHFFFAOYSA-N -1 3 311.305 2.145 20 5 DEBDHM CSC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821960959 607130154 /nfs/dbraw/zinc/13/01/54/607130154.db2.gz GLEGJNCRUKCTBD-SNVBAGLBSA-N -1 3 320.378 2.107 20 5 DEBDHM CSC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821960959 607130155 /nfs/dbraw/zinc/13/01/55/607130155.db2.gz GLEGJNCRUKCTBD-SNVBAGLBSA-N -1 3 320.378 2.107 20 5 DEBDHM O=[N+]([O-])c1ccccc1COc1ccc(-c2nnn[n-]2)cc1F ZINC000823647602 607139024 /nfs/dbraw/zinc/13/90/24/607139024.db2.gz MZJUMLCMATUOFI-UHFFFAOYSA-N -1 3 315.264 2.493 20 5 DEBDHM O=[N+]([O-])c1ccccc1COc1ccc(-c2nn[n-]n2)cc1F ZINC000823647602 607139026 /nfs/dbraw/zinc/13/90/26/607139026.db2.gz MZJUMLCMATUOFI-UHFFFAOYSA-N -1 3 315.264 2.493 20 5 DEBDHM CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H]1CCCO1 ZINC000825146514 607904416 /nfs/dbraw/zinc/90/44/16/607904416.db2.gz CNSMBYSAZRQLNE-DGCLKSJQSA-N -1 3 318.337 2.144 20 5 DEBDHM CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H]1CCCO1 ZINC000825146514 607904417 /nfs/dbraw/zinc/90/44/17/607904417.db2.gz CNSMBYSAZRQLNE-DGCLKSJQSA-N -1 3 318.337 2.144 20 5 DEBDHM O=c1[n-]ccc(NC[C@@H]2CCCN2CC(F)(F)F)c1[N+](=O)[O-] ZINC000896053659 638334569 /nfs/dbraw/zinc/33/45/69/638334569.db2.gz GJWOWQOKSTVPTJ-QMMMGPOBSA-N -1 3 320.271 2.134 20 5 DEBDHM O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[N-]OC1CCCC1 ZINC000781715325 642780405 /nfs/dbraw/zinc/78/04/05/642780405.db2.gz HYSIAZRPZWLWMT-UHFFFAOYSA-N -1 3 323.305 2.426 20 5 DEBDHM O=C([O-])[C@H]1CSCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000901890024 642811506 /nfs/dbraw/zinc/81/15/06/642811506.db2.gz GISUVTQYMJZHKF-MASHWEEQSA-N -1 3 322.386 2.358 20 5 DEBDHM COc1cccc(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c1[O-] ZINC000819905805 647738984 /nfs/dbraw/zinc/73/89/84/647738984.db2.gz WVFSDBVNPKLNMX-UHFFFAOYSA-N -1 3 303.274 2.144 20 5 DEBDHM CN(Cc1ccccc1)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821614453 648088580 /nfs/dbraw/zinc/08/85/80/648088580.db2.gz GXNYUXNJORVXIV-UHFFFAOYSA-N -1 3 310.317 2.411 20 5 DEBDHM O=[N+]([O-])c1ccccc1CCNc1ccc(-c2nn[n-]n2)cc1 ZINC000823647600 648461437 /nfs/dbraw/zinc/46/14/37/648461437.db2.gz MWTVVHUTFORYRT-UHFFFAOYSA-N -1 3 310.317 2.430 20 5 DEBDHM CC(C)OCCCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824314778 648564740 /nfs/dbraw/zinc/56/47/40/648564740.db2.gz GDRVIEBDBMOKKF-UHFFFAOYSA-N -1 3 320.353 2.392 20 5 DEBDHM CC(C)OCCCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824314778 648564744 /nfs/dbraw/zinc/56/47/44/648564744.db2.gz GDRVIEBDBMOKKF-UHFFFAOYSA-N -1 3 320.353 2.392 20 5 DEBDHM CC[C@@H](C)N1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844206551 651091937 /nfs/dbraw/zinc/09/19/37/651091937.db2.gz KYUPFKIKACEGKL-GFCCVEGCSA-N -1 3 321.377 2.142 20 5 DEBDHM Cc1ccc(O[C@@H]2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)nc1 ZINC000858008829 652236104 /nfs/dbraw/zinc/23/61/04/652236104.db2.gz GYJPRJCVECZZRN-LLVKDONJSA-N -1 3 316.317 2.057 20 5 DEBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CCC(C)C ZINC001106689124 782853546 /nfs/dbraw/zinc/85/35/46/782853546.db2.gz JGMFQMDPPPHWPO-UHFFFAOYSA-N -1 3 324.381 2.392 20 5 DEBDHM Cc1csc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC001211912791 780375806 /nfs/dbraw/zinc/37/58/06/780375806.db2.gz CNKUDOFEHIKJAO-UHFFFAOYSA-N -1 3 312.372 2.443 20 5 DEBDHM CCCC(C)(C)C(=O)N(C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101925566 780665940 /nfs/dbraw/zinc/66/59/40/780665940.db2.gz SFTIBQOWVZKZEY-UHFFFAOYSA-N -1 3 324.381 2.392 20 5 DEBDHM CCCCC(=O)N(C)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001109391590 785843659 /nfs/dbraw/zinc/84/36/59/785843659.db2.gz PNPWLZRHNLHWDP-UHFFFAOYSA-N -1 3 310.354 2.146 20 5 DEBDHM CC(C)CC1(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001093913782 792640340 /nfs/dbraw/zinc/64/03/40/792640340.db2.gz CMWTVINHJPVNSE-UHFFFAOYSA-N -1 3 322.365 2.050 20 5 DEBDHM CC(C)(C)CC(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094305915 792803082 /nfs/dbraw/zinc/80/30/82/792803082.db2.gz AZBJOKQSZBLGSY-UHFFFAOYSA-N -1 3 310.354 2.050 20 5 DEBDHM CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc([O-])c(F)c1 ZINC001116112484 794939708 /nfs/dbraw/zinc/93/97/08/794939708.db2.gz YKWLYOQVGYPJSO-UHFFFAOYSA-N -1 3 319.292 2.411 20 5 DEBDHM COc1ccc(NCCO)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201222838 798727358 /nfs/dbraw/zinc/72/73/58/798727358.db2.gz PVDVRZPVRBSXSK-UHFFFAOYSA-N -1 3 319.317 2.457 20 5 DEBDHM CCOC(=O)[C@@H]1CCC[C@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225664960 802999154 /nfs/dbraw/zinc/99/91/54/802999154.db2.gz VJBHRCNMEJPSMR-ZJUUUORDSA-N -1 3 310.306 2.196 20 5 DEBDHM Cc1c(=O)[n-]cnc1O[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC001226074238 803049934 /nfs/dbraw/zinc/04/99/34/803049934.db2.gz AKXDSVIZAJNPSM-NSHDSACASA-N -1 3 316.317 2.057 20 5 DEBDHM Cc1cc2[n-]c(O[C@@H]3C=C(C)OC(=O)C3)nc2cc1[N+](=O)[O-] ZINC001228672876 803392139 /nfs/dbraw/zinc/39/21/39/803392139.db2.gz BZZAPVDISOQXFV-SECBINFHSA-N -1 3 303.274 2.378 20 5 DEBDHM CCOC(=O)[C@@H]1CC[C@@H](Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])C1 ZINC001228688643 803395680 /nfs/dbraw/zinc/39/56/80/803395680.db2.gz LYRDZIJJIOLQKM-NXEZZACHSA-N -1 3 310.306 2.114 20 5 DEBDHM CC[C@@H](NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC001595299104 980423971 /nfs/dbraw/zinc/42/39/71/980423971.db2.gz JKRXDKRQFKXBTP-TZMCWYRMSA-N -1 3 308.334 2.340 20 5 DEBDHM CCC(O)(CC)CN(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001595324936 980529459 /nfs/dbraw/zinc/52/94/59/980529459.db2.gz HPPJPIWEUKJAMB-UHFFFAOYSA-N -1 3 310.350 2.276 20 5 DEBDHM CC(C)OCCCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001603351559 1069954078 /nfs/dbraw/zinc/95/40/78/1069954078.db2.gz DBWQNXKMYBUMIL-UHFFFAOYSA-N -1 3 320.353 2.392 20 5 DEBDHM CC(C)OCCCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001603351559 1069954087 /nfs/dbraw/zinc/95/40/87/1069954087.db2.gz DBWQNXKMYBUMIL-UHFFFAOYSA-N -1 3 320.353 2.392 20 5 DEBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC001603684255 1070041547 /nfs/dbraw/zinc/04/15/47/1070041547.db2.gz XVTOCVFPKVXVCM-SECBINFHSA-N -1 3 311.305 2.343 20 5 DEBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC001603684255 1070041552 /nfs/dbraw/zinc/04/15/52/1070041552.db2.gz XVTOCVFPKVXVCM-SECBINFHSA-N -1 3 311.305 2.343 20 5 DEBDHM C[C@H](Nc1ncc([N+](=O)[O-])s1)c1ccc(-c2nnn[n-]2)cc1 ZINC001603688443 1070046733 /nfs/dbraw/zinc/04/67/33/1070046733.db2.gz RVQLOPMWAGTMJV-ZETCQYMHSA-N -1 3 317.334 2.405 20 5 DEBDHM C[C@H](Nc1ncc([N+](=O)[O-])s1)c1ccc(-c2nn[n-]n2)cc1 ZINC001603688443 1070046752 /nfs/dbraw/zinc/04/67/52/1070046752.db2.gz RVQLOPMWAGTMJV-ZETCQYMHSA-N -1 3 317.334 2.405 20 5 DEBDHM CC1(C)CO[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001603791948 1070103650 /nfs/dbraw/zinc/10/36/50/1070103650.db2.gz WEZYPTLBQIOZDV-JTQLQIEISA-N -1 3 318.337 2.002 20 5 DEBDHM CC1(C)CO[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001603791948 1070103653 /nfs/dbraw/zinc/10/36/53/1070103653.db2.gz WEZYPTLBQIOZDV-JTQLQIEISA-N -1 3 318.337 2.002 20 5 DEBDHM C[C@@H]1CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C[C@@H](C)S1 ZINC001603936829 1070152787 /nfs/dbraw/zinc/15/27/87/1070152787.db2.gz AKNCRSURKROLEL-RKDXNWHRSA-N -1 3 320.378 2.105 20 5 DEBDHM C[C@@H]1CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C[C@@H](C)S1 ZINC001603936829 1070152792 /nfs/dbraw/zinc/15/27/92/1070152792.db2.gz AKNCRSURKROLEL-RKDXNWHRSA-N -1 3 320.378 2.105 20 5 DEBDHM CC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ncc[nH]1 ZINC001604064002 1070196857 /nfs/dbraw/zinc/19/68/57/1070196857.db2.gz PKWZBYSSUHQMQB-JTQLQIEISA-N -1 3 314.309 2.061 20 5 DEBDHM CC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ncc[nH]1 ZINC001604064002 1070196861 /nfs/dbraw/zinc/19/68/61/1070196861.db2.gz PKWZBYSSUHQMQB-JTQLQIEISA-N -1 3 314.309 2.061 20 5 DEBDHM CC1=C(C(=O)[O-])C[C@@H](CN(C)CCc2ccccc2[N+](=O)[O-])O1 ZINC001604608815 1070444534 /nfs/dbraw/zinc/44/45/34/1070444534.db2.gz KUHTUESCYLBRMA-ZDUSSCGKSA-N -1 3 320.345 2.217 20 5 DEBDHM CC[C@@H](C)N1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001604965262 1070548401 /nfs/dbraw/zinc/54/84/01/1070548401.db2.gz KGNXEMFOTNMWMU-GFCCVEGCSA-N -1 3 321.377 2.209 20 5 DEBDHM Cc1cc(N[C@@H]2CSC2(C)C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605722986 1070877442 /nfs/dbraw/zinc/87/74/42/1070877442.db2.gz DLNCHJBNLKSWHU-LLVKDONJSA-N -1 3 320.378 2.389 20 5 DEBDHM Cc1cc(N[C@@H]2CSC2(C)C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605722986 1070877460 /nfs/dbraw/zinc/87/74/60/1070877460.db2.gz DLNCHJBNLKSWHU-LLVKDONJSA-N -1 3 320.378 2.389 20 5 DEBDHM O=C(Oc1cccc([N+](=O)[O-])c1)c1sccc1-c1nnn[n-]1 ZINC001606990577 1071270495 /nfs/dbraw/zinc/27/04/95/1071270495.db2.gz KBFFNAYQHOJAEC-UHFFFAOYSA-N -1 3 317.286 2.056 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@H](C2CCC2)C1 ZINC001607079085 1071288203 /nfs/dbraw/zinc/28/82/03/1071288203.db2.gz HEWGEHYDLHMMJS-LBPRGKRZSA-N -1 3 314.349 2.401 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@H](C2CCC2)C1 ZINC001607079085 1071288212 /nfs/dbraw/zinc/28/82/12/1071288212.db2.gz HEWGEHYDLHMMJS-LBPRGKRZSA-N -1 3 314.349 2.401 20 5 DEBDHM O=[N+]([O-])c1ccc(OCc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC001607082946 1071289854 /nfs/dbraw/zinc/28/98/54/1071289854.db2.gz XGGVXXHDOHTIJD-UHFFFAOYSA-N -1 3 315.264 2.493 20 5 DEBDHM O=[N+]([O-])c1ccc(OCc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC001607082946 1071289865 /nfs/dbraw/zinc/28/98/65/1071289865.db2.gz XGGVXXHDOHTIJD-UHFFFAOYSA-N -1 3 315.264 2.493 20 5 DEBDHM O=[N+]([O-])c1cc(N[C@H]2CCC[C@H](F)C2)ccc1-c1nnn[n-]1 ZINC001607080501 1071290866 /nfs/dbraw/zinc/29/08/66/1071290866.db2.gz VEZODTRBBXYIIU-IUCAKERBSA-N -1 3 306.301 2.468 20 5 DEBDHM O=c1[n-]ccc(NCCOc2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC001611955455 1078107383 /nfs/dbraw/zinc/10/73/83/1078107383.db2.gz JZQYPTPTQWEMCX-UHFFFAOYSA-N -1 3 311.244 2.465 20 5 DEBDHM O=C(Nc1ccccc1OCCF)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001569466371 1065523714 /nfs/dbraw/zinc/52/37/14/1065523714.db2.gz ALIJMXCCBHRWPR-UHFFFAOYSA-N -1 3 321.264 2.296 20 5 DEBDHM O=C([N-]O[C@@H]1CCCCO1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001627083995 1078269822 /nfs/dbraw/zinc/26/98/22/1078269822.db2.gz LEZHESVAEJHDTN-SNVBAGLBSA-N -1 3 300.698 2.436 20 5 DEBDHM CCC(F)(F)CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001576927886 1066724278 /nfs/dbraw/zinc/72/42/78/1066724278.db2.gz YPIDRGBCQDOMMV-UHFFFAOYSA-N -1 3 316.243 2.371 20 5 DEBDHM CCC(F)(F)CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001576927886 1066724288 /nfs/dbraw/zinc/72/42/88/1066724288.db2.gz YPIDRGBCQDOMMV-UHFFFAOYSA-N -1 3 316.243 2.371 20 5 DEBDHM COc1nscc1[N-]C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001637136930 1078506003 /nfs/dbraw/zinc/50/60/03/1078506003.db2.gz KYWNHJCJFLQPOW-UHFFFAOYSA-N -1 3 323.286 2.041 20 5 DEBDHM O=C(CNc1cc[n-]c(=O)c1[N+](=O)[O-])Nc1ccc(F)c(F)c1 ZINC001639235693 1078602816 /nfs/dbraw/zinc/60/28/16/1078602816.db2.gz LIKYVPKPZFKCMT-UHFFFAOYSA-N -1 3 324.243 2.024 20 5 DEBDHM COC(=O)c1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])c(F)c1 ZINC001642977019 1078779482 /nfs/dbraw/zinc/77/94/82/1078779482.db2.gz KGSJUBJUVVDLDS-UHFFFAOYSA-N -1 3 321.264 2.233 20 5 DEBDHM COc1cccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c1[O-] ZINC001648295548 1074992470 /nfs/dbraw/zinc/99/24/70/1074992470.db2.gz LCDGDVZTLREMKX-UHFFFAOYSA-N -1 3 317.301 2.452 20 5 DEBDHM COC(=O)c1cc([N-]C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])on1 ZINC001583404928 1076259889 /nfs/dbraw/zinc/25/98/89/1076259889.db2.gz LZBKTJGUSXQOQD-UHFFFAOYSA-N -1 3 323.236 2.069 20 5 DEBDHM CC(C)(CCNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CC1 ZINC001589276414 1076483140 /nfs/dbraw/zinc/48/31/40/1076483140.db2.gz XYIQHLYWYXLEBK-UHFFFAOYSA-N -1 3 317.353 2.408 20 5 DEBDHM CC(C)(CCNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CC1 ZINC001589276414 1076483143 /nfs/dbraw/zinc/48/31/43/1076483143.db2.gz XYIQHLYWYXLEBK-UHFFFAOYSA-N -1 3 317.353 2.408 20 5 DEBDHM CC(C)COCCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001589646831 1076504719 /nfs/dbraw/zinc/50/47/19/1076504719.db2.gz YJADLMAZCGWBTL-UHFFFAOYSA-N -1 3 320.353 2.250 20 5 DEBDHM CC(C)COCCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001589646831 1076504725 /nfs/dbraw/zinc/50/47/25/1076504725.db2.gz YJADLMAZCGWBTL-UHFFFAOYSA-N -1 3 320.353 2.250 20 5 DEBDHM C[C@@]1(F)CCCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001590142303 1076573194 /nfs/dbraw/zinc/57/31/94/1076573194.db2.gz XCAMLLITYMKKNE-CYBMUJFWSA-N -1 3 306.301 2.103 20 5 DEBDHM CC1=C[C@@H](C)CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590158123 1076575808 /nfs/dbraw/zinc/57/58/08/1076575808.db2.gz VFHPDCNESVOMGZ-SECBINFHSA-N -1 3 300.322 2.177 20 5 DEBDHM CC1=C[C@@H](C)CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001590158123 1076575813 /nfs/dbraw/zinc/57/58/13/1076575813.db2.gz VFHPDCNESVOMGZ-SECBINFHSA-N -1 3 300.322 2.177 20 5 DEBDHM C[C@H]1CC(C)(C)CN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590195523 1076583068 /nfs/dbraw/zinc/58/30/68/1076583068.db2.gz WZSXKNJFALJHJW-VIFPVBQESA-N -1 3 302.338 2.400 20 5 DEBDHM C[C@H]1CC(C)(C)CN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590195523 1076583071 /nfs/dbraw/zinc/58/30/71/1076583071.db2.gz WZSXKNJFALJHJW-VIFPVBQESA-N -1 3 302.338 2.400 20 5 DEBDHM C[C@H]1CCSCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590278212 1076606982 /nfs/dbraw/zinc/60/69/82/1076606982.db2.gz PPAUJYGCWWTZDA-VIFPVBQESA-N -1 3 320.378 2.107 20 5 DEBDHM C[C@H]1CCSCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590278212 1076606984 /nfs/dbraw/zinc/60/69/84/1076606984.db2.gz PPAUJYGCWWTZDA-VIFPVBQESA-N -1 3 320.378 2.107 20 5 DEBDHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCC1(F)F ZINC001590311305 1076609151 /nfs/dbraw/zinc/60/91/51/1076609151.db2.gz CDWSIBINJMLNCO-QMMMGPOBSA-N -1 3 324.291 2.256 20 5 DEBDHM CCC(C)(C)CCNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590375959 1076618005 /nfs/dbraw/zinc/61/80/05/1076618005.db2.gz VHAGATRHWUIQPV-UHFFFAOYSA-N -1 3 305.342 2.408 20 5 DEBDHM CCC(C)(C)CCNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590375959 1076618008 /nfs/dbraw/zinc/61/80/08/1076618008.db2.gz VHAGATRHWUIQPV-UHFFFAOYSA-N -1 3 305.342 2.408 20 5 DEBDHM CCC[C@@H](CCO)Nc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590557201 1076652190 /nfs/dbraw/zinc/65/21/90/1076652190.db2.gz KGCITSAXPDQDRY-JTQLQIEISA-N -1 3 320.353 2.046 20 5 DEBDHM CCC[C@@H](CCO)Nc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590557201 1076652193 /nfs/dbraw/zinc/65/21/93/1076652193.db2.gz KGCITSAXPDQDRY-JTQLQIEISA-N -1 3 320.353 2.046 20 5 DEBDHM CCOC(C)(C)CNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590780751 1076674400 /nfs/dbraw/zinc/67/44/00/1076674400.db2.gz PADWCPCSKXETBU-UHFFFAOYSA-N -1 3 320.353 2.310 20 5 DEBDHM CCOC(C)(C)CNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590780751 1076674401 /nfs/dbraw/zinc/67/44/01/1076674401.db2.gz PADWCPCSKXETBU-UHFFFAOYSA-N -1 3 320.353 2.310 20 5 DEBDHM CCOC(C)(C)CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590780381 1076674549 /nfs/dbraw/zinc/67/45/49/1076674549.db2.gz DKRMQLQZFDAASE-UHFFFAOYSA-N -1 3 306.326 2.002 20 5 DEBDHM CCOC(C)(C)CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590780381 1076674553 /nfs/dbraw/zinc/67/45/53/1076674553.db2.gz DKRMQLQZFDAASE-UHFFFAOYSA-N -1 3 306.326 2.002 20 5 DEBDHM CN(C[C@H]1CC1(C)C)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591053868 1076705893 /nfs/dbraw/zinc/70/58/93/1076705893.db2.gz VKLLAXLTRHCRBU-SECBINFHSA-N -1 3 302.338 2.257 20 5 DEBDHM CN(C[C@H]1CC1(C)C)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591053868 1076705894 /nfs/dbraw/zinc/70/58/94/1076705894.db2.gz VKLLAXLTRHCRBU-SECBINFHSA-N -1 3 302.338 2.257 20 5 DEBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccsc1[N+](=O)[O-] ZINC001591136694 1076712082 /nfs/dbraw/zinc/71/20/82/1076712082.db2.gz HFUOJVASYSZQOL-UHFFFAOYSA-N -1 3 316.346 2.473 20 5 DEBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccsc1[N+](=O)[O-] ZINC001591136694 1076712087 /nfs/dbraw/zinc/71/20/87/1076712087.db2.gz HFUOJVASYSZQOL-UHFFFAOYSA-N -1 3 316.346 2.473 20 5 DEBDHM COC[C@@H](C)SCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591374233 1076735932 /nfs/dbraw/zinc/73/59/32/1076735932.db2.gz DKFLXWXKRDADSW-MRVPVSSYSA-N -1 3 309.351 2.043 20 5 DEBDHM COC[C@@H](C)SCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591374233 1076735935 /nfs/dbraw/zinc/73/59/35/1076735935.db2.gz DKFLXWXKRDADSW-MRVPVSSYSA-N -1 3 309.351 2.043 20 5 DEBDHM COCCCCCNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591410120 1076742292 /nfs/dbraw/zinc/74/22/92/1076742292.db2.gz AGVRRELRBAHXRQ-UHFFFAOYSA-N -1 3 324.316 2.143 20 5 DEBDHM COCCCCCNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591410120 1076742294 /nfs/dbraw/zinc/74/22/94/1076742294.db2.gz AGVRRELRBAHXRQ-UHFFFAOYSA-N -1 3 324.316 2.143 20 5 DEBDHM Cc1cc(N[C@@H]2CCCOCC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592037075 1076835414 /nfs/dbraw/zinc/83/54/14/1076835414.db2.gz JICYTMSUMVZKEZ-SNVBAGLBSA-N -1 3 318.337 2.064 20 5 DEBDHM Cc1cc(N[C@@H]2CCCOCC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592037075 1076835419 /nfs/dbraw/zinc/83/54/19/1076835419.db2.gz JICYTMSUMVZKEZ-SNVBAGLBSA-N -1 3 318.337 2.064 20 5 DEBDHM Cc1cc(NC[C@@H]2CC[C@@H](C)O2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592045123 1076836933 /nfs/dbraw/zinc/83/69/33/1076836933.db2.gz XDARQOBRYVFXIY-ZJUUUORDSA-N -1 3 318.337 2.063 20 5 DEBDHM Cc1cc(NC[C@@H]2CC[C@@H](C)O2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592045123 1076836938 /nfs/dbraw/zinc/83/69/38/1076836938.db2.gz XDARQOBRYVFXIY-ZJUUUORDSA-N -1 3 318.337 2.063 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCc1ccccc1 ZINC001593472206 1077007351 /nfs/dbraw/zinc/00/73/51/1077007351.db2.gz ZNCUZFWOJIHWTD-UHFFFAOYSA-N -1 3 310.317 2.430 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCc1ccccc1 ZINC001593472206 1077007355 /nfs/dbraw/zinc/00/73/55/1077007355.db2.gz ZNCUZFWOJIHWTD-UHFFFAOYSA-N -1 3 310.317 2.430 20 5 DEBDHM O=[N+]([O-])c1ccc(N[C@H]2CCc3cc(-c4nnn[n-]4)ccc32)nc1 ZINC001593478030 1077007939 /nfs/dbraw/zinc/00/79/39/1077007939.db2.gz PCHGFPQRZHZMCO-ZDUSSCGKSA-N -1 3 323.316 2.269 20 5 DEBDHM O=[N+]([O-])c1ccc(N[C@H]2CCc3cc(-c4nn[n-]n4)ccc32)nc1 ZINC001593478030 1077007944 /nfs/dbraw/zinc/00/79/44/1077007944.db2.gz PCHGFPQRZHZMCO-ZDUSSCGKSA-N -1 3 323.316 2.269 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@@H]1CCCSC1 ZINC001593475708 1077008532 /nfs/dbraw/zinc/00/85/32/1077008532.db2.gz SEZDJFWPUDSYDV-VIFPVBQESA-N -1 3 320.378 2.330 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@@H]1CCCSC1 ZINC001593475708 1077008536 /nfs/dbraw/zinc/00/85/36/1077008536.db2.gz SEZDJFWPUDSYDV-VIFPVBQESA-N -1 3 320.378 2.330 20 5 DEBDHM O=[N+]([O-])c1ccccc1CN1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001593484643 1077011822 /nfs/dbraw/zinc/01/18/22/1077011822.db2.gz CARVZYSQINTZTB-UHFFFAOYSA-N -1 3 322.328 2.338 20 5 DEBDHM O=[N+]([O-])c1ccccc1CN1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001593484643 1077011824 /nfs/dbraw/zinc/01/18/24/1077011824.db2.gz CARVZYSQINTZTB-UHFFFAOYSA-N -1 3 322.328 2.338 20 5 DEBDHM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC001601757653 1077448577 /nfs/dbraw/zinc/44/85/77/1077448577.db2.gz XJCIVYMLXKDGFG-BHDSKKPTSA-N -1 3 308.309 2.419 20 5 DEBDHM O=C([O-])C1CCC(NCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC001608617861 1077664817 /nfs/dbraw/zinc/66/48/17/1077664817.db2.gz FYXURRXQCYUFKT-UHFFFAOYSA-N -1 3 319.317 2.469 20 5 DEBDHM CCC[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001609206977 1077798851 /nfs/dbraw/zinc/79/88/51/1077798851.db2.gz QBPASOTWZFGXFC-JTQLQIEISA-N -1 3 317.353 2.186 20 5 DEBDHM CCC[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001609206977 1077798852 /nfs/dbraw/zinc/79/88/52/1077798852.db2.gz QBPASOTWZFGXFC-JTQLQIEISA-N -1 3 317.353 2.186 20 5 DEBDHM CN(C(=O)c1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC001609262884 1077820172 /nfs/dbraw/zinc/82/01/72/1077820172.db2.gz ADYUXTVQMAZLKC-UHFFFAOYSA-N -1 3 324.300 2.052 20 5 DEBDHM CN(C(=O)c1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC001609262884 1077820175 /nfs/dbraw/zinc/82/01/75/1077820175.db2.gz ADYUXTVQMAZLKC-UHFFFAOYSA-N -1 3 324.300 2.052 20 5 DEBDHM Cc1nn([C@H](C)c2cccc(-c3nnn[n-]3)c2)c(C)c1[N+](=O)[O-] ZINC001609458190 1077863289 /nfs/dbraw/zinc/86/32/89/1077863289.db2.gz YHEKSQFCHFKMNZ-SECBINFHSA-N -1 3 313.321 2.198 20 5 DEBDHM Cc1nn([C@H](C)c2cccc(-c3nn[n-]n3)c2)c(C)c1[N+](=O)[O-] ZINC001609458190 1077863291 /nfs/dbraw/zinc/86/32/91/1077863291.db2.gz YHEKSQFCHFKMNZ-SECBINFHSA-N -1 3 313.321 2.198 20 5 DEBDHM O=c1[n-]ccc(NC[C@H](O)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC001651104454 1079789690 /nfs/dbraw/zinc/78/96/90/1079789690.db2.gz OKPSRVMUTMVVGI-NSHDSACASA-N -1 3 309.709 2.494 20 5 DEBDHM CCCc1n[nH]c(C(=O)[N-]Oc2ccccc2F)c1[N+](=O)[O-] ZINC001651412297 1079810067 /nfs/dbraw/zinc/81/00/67/1079810067.db2.gz FNPDSABOLFAXIL-UHFFFAOYSA-N -1 3 308.269 2.133 20 5 DEBDHM Cc1ccnc(NCc2cc(=O)[n-]c(C3CC3)n2)c1[N+](=O)[O-] ZINC001307209938 1139723968 /nfs/dbraw/zinc/72/39/68/1139723968.db2.gz TUYHVHMOZHNVKZ-UHFFFAOYSA-N -1 3 301.306 2.283 20 5 DEBDHM O=C(Nc1ccc(F)c(-c2nc[nH]n2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC001297158736 1139847814 /nfs/dbraw/zinc/84/78/14/1139847814.db2.gz JGDMTNYTFPATCN-UHFFFAOYSA-N -1 3 316.252 2.099 20 5 DEBDHM COc1cc(C[NH2+][C@@H](C)CCCC(=O)[O-])c([N+](=O)[O-])cc1[O-] ZINC001320866992 1140963064 /nfs/dbraw/zinc/96/30/64/1140963064.db2.gz PYCXQEDYXPWYOO-VIFPVBQESA-N -1 3 312.322 2.042 20 5 DEBDHM O=c1[n-]ccc(N2CCC(n3cc(Cl)cn3)CC2)c1[N+](=O)[O-] ZINC001261654301 1144263517 /nfs/dbraw/zinc/26/35/17/1144263517.db2.gz NJRUZXRXCFGDFY-UHFFFAOYSA-N -1 3 323.740 2.387 20 5 DEBDHM CCc1cc(CNCc2cc(OC)c([O-])cc2[N+](=O)[O-])on1 ZINC001308283209 1147463998 /nfs/dbraw/zinc/46/39/98/1147463998.db2.gz UTKUQEJDOAHKCP-UHFFFAOYSA-N -1 3 307.306 2.149 20 5 DEBDHM Cc1c([N-]S(=O)(=O)C[C@@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC001325849496 1148007599 /nfs/dbraw/zinc/00/75/99/1148007599.db2.gz PPEWKMKYELALJE-LLVKDONJSA-N -1 3 314.363 2.072 20 5 DEBDHM CCCc1cnc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)s1 ZINC000181274040 199274250 /nfs/dbraw/zinc/27/42/50/199274250.db2.gz IKBXTSREDHEJBJ-UHFFFAOYSA-N -1 3 308.319 2.357 20 5 DEBDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000022279264 354053238 /nfs/dbraw/zinc/05/32/38/354053238.db2.gz FPVMTMOZGXGPPG-JTQLQIEISA-N -1 3 307.331 2.029 20 5 DEBDHM O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ncccc1[O-] ZINC000045767044 354262663 /nfs/dbraw/zinc/26/26/63/354262663.db2.gz YFDGPILMMGNOJL-UHFFFAOYSA-N -1 3 302.290 2.136 20 5 DEBDHM Cc1cc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)ccc1[N+](=O)[O-] ZINC000047343333 354314315 /nfs/dbraw/zinc/31/43/15/354314315.db2.gz HBIKHNFTCBAAPD-UHFFFAOYSA-N -1 3 324.300 2.336 20 5 DEBDHM Cc1cc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)ccc1[N+](=O)[O-] ZINC000047343333 354314317 /nfs/dbraw/zinc/31/43/17/354314317.db2.gz HBIKHNFTCBAAPD-UHFFFAOYSA-N -1 3 324.300 2.336 20 5 DEBDHM Cc1cc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)ccc1[N+](=O)[O-] ZINC000047343333 354314321 /nfs/dbraw/zinc/31/43/21/354314321.db2.gz HBIKHNFTCBAAPD-UHFFFAOYSA-N -1 3 324.300 2.336 20 5 DEBDHM CSCCCC[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000128852995 355831101 /nfs/dbraw/zinc/83/11/01/355831101.db2.gz QRIJBJCDJXGIMY-UHFFFAOYSA-N -1 3 318.420 2.325 20 5 DEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1CCC1 ZINC000157582529 355955951 /nfs/dbraw/zinc/95/59/51/355955951.db2.gz DOFSGBFNSXESBT-MRVPVSSYSA-N -1 3 302.327 2.201 20 5 DEBDHM Cc1cc(NCCN2CCCCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592967771 357979331 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CS[C@@H](C)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000157959841 197230131 /nfs/dbraw/zinc/23/01/31/197230131.db2.gz AYPLYLBLKOSQCB-ZETCQYMHSA-N -1 3 324.811 2.278 20 5 DEBDHM Cc1[nH]nc(C(=O)[N-]c2nc(C(F)(F)F)cs2)c1[N+](=O)[O-] ZINC000355826863 133050916 /nfs/dbraw/zinc/05/09/16/133050916.db2.gz IAEZJZPJULBZKC-UHFFFAOYSA-N -1 3 321.240 2.354 20 5 DEBDHM O=[N+]([O-])c1ccc(NCc2nc(C(F)(F)F)n[n-]2)c(F)c1 ZINC000359708056 133140215 /nfs/dbraw/zinc/14/02/15/133140215.db2.gz CCFNLBCYLVISOH-UHFFFAOYSA-N -1 3 305.191 2.483 20 5 DEBDHM O=[N+]([O-])c1ccc(NCc2nnc(C(F)(F)F)[n-]2)c(F)c1 ZINC000359708056 133140213 /nfs/dbraw/zinc/14/02/13/133140213.db2.gz CCFNLBCYLVISOH-UHFFFAOYSA-N -1 3 305.191 2.483 20 5 DEBDHM O=[N+]([O-])c1ccc(NCc2n[n-]c(C(F)(F)F)n2)c(F)c1 ZINC000359708056 133140214 /nfs/dbraw/zinc/14/02/14/133140214.db2.gz CCFNLBCYLVISOH-UHFFFAOYSA-N -1 3 305.191 2.483 20 5 DEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCC=C(C)C ZINC000360006599 133156977 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CC[C@@H](CSC)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000341205851 403832918 /nfs/dbraw/zinc/83/29/18/403832918.db2.gz VWGJVCGIAWQMBJ-JTQLQIEISA-N -1 3 318.420 2.323 20 5 DEBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)C(F)(F)F ZINC000341903643 404244918 /nfs/dbraw/zinc/24/49/18/404244918.db2.gz XSCIEYBUTHTWQE-ZETCQYMHSA-N -1 3 312.269 2.132 20 5 DEBDHM CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436804706 405142049 /nfs/dbraw/zinc/14/20/49/405142049.db2.gz CDSFHBHIXGCEAA-AWEZNQCLSA-N -1 3 321.377 2.151 20 5 DEBDHM Cn1cnc([N+](=O)[O-])c1CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419586842 405259151 /nfs/dbraw/zinc/25/91/51/405259151.db2.gz MPNSVLLDRROWQW-UHFFFAOYSA-N -1 3 321.362 2.135 20 5 DEBDHM CC[C@@H]1CCCCN1CCNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000582362451 405714144 /nfs/dbraw/zinc/71/41/44/405714144.db2.gz HZXOGGQHHFTGLN-LLVKDONJSA-N -1 3 322.365 2.364 20 5 DEBDHM CSC1(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000433363465 405933564 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Cn1ncc([N+](=O)[O-])c1[N-]C(=O)c1cc(-c2ccccc2)on1 ZINC001537897283 1072324612 /nfs/dbraw/zinc/32/46/12/1072324612.db2.gz PSWVYAGRCXEMBZ-UHFFFAOYSA-N -1 3 313.273 2.236 20 5 DEBDHM O=c1[n-]ccc(NCCc2cccc3c2OCCO3)c1[N+](=O)[O-] ZINC001640450134 1078661837 /nfs/dbraw/zinc/66/18/37/1078661837.db2.gz XYFURXOGHGNJKX-UHFFFAOYSA-N -1 3 317.301 2.121 20 5 DEBDHM Cc1sc(C(N)=O)cc1[N-]C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001518995190 1069025624 /nfs/dbraw/zinc/02/56/24/1069025624.db2.gz BFMOUALZWBDIJW-UHFFFAOYSA-N -1 3 323.305 2.455 20 5 DEBDHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2csc([N+](=O)[O-])c2)n1 ZINC001644222500 1078835528 /nfs/dbraw/zinc/83/55/28/1078835528.db2.gz FSAVJAXNDGMHRY-UHFFFAOYSA-N -1 3 322.346 2.125 20 5 DEBDHM Cc1ccoc1CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001581306030 1076063195 /nfs/dbraw/zinc/06/31/95/1076063195.db2.gz MYTHWSTUGVXIAY-UHFFFAOYSA-N -1 3 318.268 2.428 20 5 DEBDHM Cc1ccoc1CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001581306030 1076063201 /nfs/dbraw/zinc/06/32/01/1076063201.db2.gz MYTHWSTUGVXIAY-UHFFFAOYSA-N -1 3 318.268 2.428 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1Oc1cc(F)cc(F)c1 ZINC001582803565 1076185251 /nfs/dbraw/zinc/18/52/51/1076185251.db2.gz MBMLYHYFJAVKCK-UHFFFAOYSA-N -1 3 320.215 2.240 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1Oc1cc(F)cc(F)c1 ZINC001582803565 1076185253 /nfs/dbraw/zinc/18/52/53/1076185253.db2.gz MBMLYHYFJAVKCK-UHFFFAOYSA-N -1 3 320.215 2.240 20 5 DEBDHM CC(C)(C)[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001589105330 1076475680 /nfs/dbraw/zinc/47/56/80/1076475680.db2.gz SYAQKHURDJQLGT-JTQLQIEISA-N -1 3 317.353 2.042 20 5 DEBDHM CC(C)(C)[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001589105330 1076475682 /nfs/dbraw/zinc/47/56/82/1076475682.db2.gz SYAQKHURDJQLGT-JTQLQIEISA-N -1 3 317.353 2.042 20 5 DEBDHM C[C@@]1(F)CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590141178 1076573103 /nfs/dbraw/zinc/57/31/03/1076573103.db2.gz CPUAOTYJFJGMDN-CYBMUJFWSA-N -1 3 306.301 2.103 20 5 DEBDHM C[C@@]1(F)CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590141178 1076573106 /nfs/dbraw/zinc/57/31/06/1076573106.db2.gz CPUAOTYJFJGMDN-CYBMUJFWSA-N -1 3 306.301 2.103 20 5 DEBDHM C[C@@H]1CC(C)(C)CN1c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590193855 1076581218 /nfs/dbraw/zinc/58/12/18/1076581218.db2.gz PQZUUMLICYGCKP-SECBINFHSA-N -1 3 302.338 2.400 20 5 DEBDHM C[C@@H]1CC(C)(C)CN1c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590193855 1076581220 /nfs/dbraw/zinc/58/12/20/1076581220.db2.gz PQZUUMLICYGCKP-SECBINFHSA-N -1 3 302.338 2.400 20 5 DEBDHM CC[C@H](C)[C@H](CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)OC ZINC001590399631 1076620576 /nfs/dbraw/zinc/62/05/76/1076620576.db2.gz JURFCIHMRRDCIY-ZANVPECISA-N -1 3 320.353 2.248 20 5 DEBDHM CC[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001590514689 1076645698 /nfs/dbraw/zinc/64/56/98/1076645698.db2.gz WRKQXNBAAPEBCR-SNVBAGLBSA-N -1 3 317.353 2.186 20 5 DEBDHM CC[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001590514689 1076645700 /nfs/dbraw/zinc/64/57/00/1076645700.db2.gz WRKQXNBAAPEBCR-SNVBAGLBSA-N -1 3 317.353 2.186 20 5 DEBDHM CC[C@H]1CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCS1 ZINC001590522986 1076646793 /nfs/dbraw/zinc/64/67/93/1076646793.db2.gz ULVDCUYFTPOGKW-JTQLQIEISA-N -1 3 320.378 2.107 20 5 DEBDHM CC[C@H]1CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCS1 ZINC001590522986 1076646794 /nfs/dbraw/zinc/64/67/94/1076646794.db2.gz ULVDCUYFTPOGKW-JTQLQIEISA-N -1 3 320.378 2.107 20 5 DEBDHM CCCCCC(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590586020 1076657149 /nfs/dbraw/zinc/65/71/49/1076657149.db2.gz LQBIABLNUCJJFD-UHFFFAOYSA-N -1 3 319.321 2.398 20 5 DEBDHM CCCCCC(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590586020 1076657153 /nfs/dbraw/zinc/65/71/53/1076657153.db2.gz LQBIABLNUCJJFD-UHFFFAOYSA-N -1 3 319.321 2.398 20 5 DEBDHM CO[C@H]1C[C@@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1(C)C ZINC001591348002 1076729818 /nfs/dbraw/zinc/72/98/18/1076729818.db2.gz IDWRHCVBCDRBIQ-MNOVXSKESA-N -1 3 318.337 2.000 20 5 DEBDHM CO[C@H]1C[C@@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1(C)C ZINC001591348002 1076729821 /nfs/dbraw/zinc/72/98/21/1076729821.db2.gz IDWRHCVBCDRBIQ-MNOVXSKESA-N -1 3 318.337 2.000 20 5 DEBDHM CSC1(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCC1 ZINC001591692719 1076772968 /nfs/dbraw/zinc/77/29/68/1076772968.db2.gz VCOANZLRIHEECF-UHFFFAOYSA-N -1 3 320.378 2.473 20 5 DEBDHM CSC1(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCC1 ZINC001591692719 1076772971 /nfs/dbraw/zinc/77/29/71/1076772971.db2.gz VCOANZLRIHEECF-UHFFFAOYSA-N -1 3 320.378 2.473 20 5 DEBDHM CSCC[C@H](C)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591699400 1076776005 /nfs/dbraw/zinc/77/60/05/1076776005.db2.gz IEMRBWOAGSGQLG-QMMMGPOBSA-N -1 3 308.367 2.328 20 5 DEBDHM Cc1cc(CSc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])no1 ZINC001591972484 1076821640 /nfs/dbraw/zinc/82/16/40/1076821640.db2.gz HYYSRDDAMLTVIH-UHFFFAOYSA-N -1 3 318.318 2.364 20 5 DEBDHM Cc1cc(CSc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])no1 ZINC001591972484 1076821643 /nfs/dbraw/zinc/82/16/43/1076821643.db2.gz HYYSRDDAMLTVIH-UHFFFAOYSA-N -1 3 318.318 2.364 20 5 DEBDHM Cc1ccc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cn1 ZINC001592166941 1076865617 /nfs/dbraw/zinc/86/56/17/1076865617.db2.gz PDUUSCAINYTAJV-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1ccc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cn1 ZINC001592166941 1076865622 /nfs/dbraw/zinc/86/56/22/1076865622.db2.gz PDUUSCAINYTAJV-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1ccc([N+](=O)[O-])c(NCc2cncc(-c3nnn[n-]3)c2)c1 ZINC001592198039 1076873080 /nfs/dbraw/zinc/87/30/80/1076873080.db2.gz UZZVRJFQMFNZFL-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1ccc([N+](=O)[O-])c(NCc2cncc(-c3nn[n-]n3)c2)c1 ZINC001592198039 1076873083 /nfs/dbraw/zinc/87/30/83/1076873083.db2.gz UZZVRJFQMFNZFL-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1cccc(OCc2ccc(-c3nnn[n-]3)cn2)c1[N+](=O)[O-] ZINC001592238672 1076880239 /nfs/dbraw/zinc/88/02/39/1076880239.db2.gz ACUAQXNAEGRLFU-UHFFFAOYSA-N -1 3 312.289 2.057 20 5 DEBDHM Cc1cccc(OCc2ccc(-c3nn[n-]n3)cn2)c1[N+](=O)[O-] ZINC001592238672 1076880244 /nfs/dbraw/zinc/88/02/44/1076880244.db2.gz ACUAQXNAEGRLFU-UHFFFAOYSA-N -1 3 312.289 2.057 20 5 DEBDHM Cc1ccncc1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592277098 1076888114 /nfs/dbraw/zinc/88/81/14/1076888114.db2.gz TXUVZKLHYCQQCE-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1ccncc1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592277098 1076888117 /nfs/dbraw/zinc/88/81/17/1076888117.db2.gz TXUVZKLHYCQQCE-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@@H](CCF)C1 ZINC001593469163 1077006333 /nfs/dbraw/zinc/00/63/33/1077006333.db2.gz YXYCAYKIPDZDSM-JTQLQIEISA-N -1 3 320.328 2.351 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H](CCF)C1 ZINC001593469163 1077006338 /nfs/dbraw/zinc/00/63/38/1077006338.db2.gz YXYCAYKIPDZDSM-JTQLQIEISA-N -1 3 320.328 2.351 20 5 DEBDHM O=[N+]([O-])c1cc(NCC[C@@H]2CCCOC2)ccc1-c1nnn[n-]1 ZINC001593474571 1077008297 /nfs/dbraw/zinc/00/82/97/1077008297.db2.gz TZYDLJSDZVCZQY-JTQLQIEISA-N -1 3 318.337 2.004 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001593482064 1077009234 /nfs/dbraw/zinc/00/92/34/1077009234.db2.gz WOWSTXAIEZHDJB-DVVUODLYSA-N -1 3 300.322 2.375 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001593482064 1077009238 /nfs/dbraw/zinc/00/92/38/1077009238.db2.gz WOWSTXAIEZHDJB-DVVUODLYSA-N -1 3 300.322 2.375 20 5 DEBDHM CC1=C(C)CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001609151353 1077775190 /nfs/dbraw/zinc/77/51/90/1077775190.db2.gz HUMJXOOHGPEFLS-UHFFFAOYSA-N -1 3 300.322 2.321 20 5 DEBDHM CC1=C(C)CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001609151353 1077775194 /nfs/dbraw/zinc/77/51/94/1077775194.db2.gz HUMJXOOHGPEFLS-UHFFFAOYSA-N -1 3 300.322 2.321 20 5 DEBDHM C[C@H]1OCC[C@H]1Sc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001609178870 1077786199 /nfs/dbraw/zinc/78/61/99/1077786199.db2.gz GWDXVHTZFQDUJZ-GMSGAONNSA-N -1 3 307.335 2.044 20 5 DEBDHM C[C@H]1OCC[C@H]1Sc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609178870 1077786205 /nfs/dbraw/zinc/78/62/05/1077786205.db2.gz GWDXVHTZFQDUJZ-GMSGAONNSA-N -1 3 307.335 2.044 20 5 DEBDHM C[C@H]1SCC[C@H]1Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609179469 1077786749 /nfs/dbraw/zinc/78/67/49/1077786749.db2.gz SDAQUCMGKBVMMF-VXNVDRBHSA-N -1 3 306.351 2.081 20 5 DEBDHM C[C@H]1SCC[C@H]1Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609179469 1077786750 /nfs/dbraw/zinc/78/67/50/1077786750.db2.gz SDAQUCMGKBVMMF-VXNVDRBHSA-N -1 3 306.351 2.081 20 5 DEBDHM CO[C@H](CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])CC(C)C ZINC001609311093 1077828278 /nfs/dbraw/zinc/82/82/78/1077828278.db2.gz STGFVMJWEMEGBX-NSHDSACASA-N -1 3 320.353 2.248 20 5 DEBDHM CO[C@H](CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])CC(C)C ZINC001609311093 1077828284 /nfs/dbraw/zinc/82/82/84/1077828284.db2.gz STGFVMJWEMEGBX-NSHDSACASA-N -1 3 320.353 2.248 20 5 DEBDHM Cc1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)s1 ZINC001609424287 1077856392 /nfs/dbraw/zinc/85/63/92/1077856392.db2.gz AEWSRWBMZAXBDD-UHFFFAOYSA-N -1 3 317.334 2.152 20 5 DEBDHM Cc1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)s1 ZINC001609424287 1077856398 /nfs/dbraw/zinc/85/63/98/1077856398.db2.gz AEWSRWBMZAXBDD-UHFFFAOYSA-N -1 3 317.334 2.152 20 5 DEBDHM Cc1nsc(NCc2ccccc2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC001609466176 1077864658 /nfs/dbraw/zinc/86/46/58/1077864658.db2.gz HKMPIAPSJFUIOW-UHFFFAOYSA-N -1 3 317.334 2.152 20 5 DEBDHM CC(=O)N(C)c1ccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001651457879 1079812868 /nfs/dbraw/zinc/81/28/68/1079812868.db2.gz XFDYDECWEKVNNX-UHFFFAOYSA-N -1 3 302.290 2.422 20 5 DEBDHM COc1c([O-])ccc(CN(C)[C@@H](C)c2nc(C)no2)c1[N+](=O)[O-] ZINC001652737019 1079895040 /nfs/dbraw/zinc/89/50/40/1079895040.db2.gz MQBCFBUYGTTXIG-QMMMGPOBSA-N -1 3 322.321 2.193 20 5 DEBDHM C[S@@](=O)Cc1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001655460849 1079999455 /nfs/dbraw/zinc/99/94/55/1079999455.db2.gz OPTUDLOKIKUZNO-JOCHJYFZSA-N -1 3 321.358 2.186 20 5 DEBDHM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC001666421802 1081151496 /nfs/dbraw/zinc/15/14/96/1081151496.db2.gz KDLMRHLDVPKVDO-UHFFFAOYSA-N -1 3 316.354 2.448 20 5 DEBDHM CC(=O)NC[C@H]1CC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001065935121 1090924127 /nfs/dbraw/zinc/92/41/27/1090924127.db2.gz PZTQCCBQOYDMQU-HAQNSBGRSA-N -1 3 322.365 2.050 20 5 DEBDHM COc1ccc(Nc2cc([O-])cc(C(N)=O)c2)c([N+](=O)[O-])c1 ZINC001248488763 1141801372 /nfs/dbraw/zinc/80/13/72/1141801372.db2.gz OQQXFLNZWDSSNE-UHFFFAOYSA-N -1 3 303.274 2.152 20 5 DEBDHM Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc(C)n1 ZINC001323946979 1141912933 /nfs/dbraw/zinc/91/29/33/1141912933.db2.gz ANRISUOWAAQQIA-UHFFFAOYSA-N -1 3 321.358 2.138 20 5 DEBDHM O=c1[n-]ccc(NCc2nccc(C(F)(F)F)n2)c1[N+](=O)[O-] ZINC001307140860 1147399601 /nfs/dbraw/zinc/39/96/01/1147399601.db2.gz JNRIGMSSTAFDET-UHFFFAOYSA-N -1 3 315.211 2.116 20 5 DEBDHM CCCc1nnc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])o1 ZINC000181672060 199336624 /nfs/dbraw/zinc/33/66/24/199336624.db2.gz PRVUEXLNHAKPKR-UHFFFAOYSA-N -1 3 308.294 2.257 20 5 DEBDHM O=C(/C=C\c1cncc([O-])c1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000255380209 282635036 /nfs/dbraw/zinc/63/50/36/282635036.db2.gz TWOMQIJEXKKNGW-UTCJRWHESA-N -1 3 313.313 2.068 20 5 DEBDHM Cc1nn(CCC(=O)Nc2cc(F)ccc2[O-])c(C)c1[N+](=O)[O-] ZINC000174877239 198395585 /nfs/dbraw/zinc/39/55/85/198395585.db2.gz ZQRAMFLYAGNTSW-UHFFFAOYSA-N -1 3 322.296 2.282 20 5 DEBDHM Cc1nc([N+](=O)[O-])c(-c2noc(-c3cccc([O-])c3)n2)n1C ZINC000350921108 356587475 /nfs/dbraw/zinc/58/74/75/356587475.db2.gz ZOJHKXFZSOIYKB-UHFFFAOYSA-N -1 3 301.262 2.059 20 5 DEBDHM COc1cc(C(=O)[N-]c2nc(C)ns2)cc([N+](=O)[O-])c1C ZINC000276914269 213171956 /nfs/dbraw/zinc/17/19/56/213171956.db2.gz PRMCBOFZKXISQH-UHFFFAOYSA-N -1 3 308.319 2.324 20 5 DEBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)C2CC2)c(F)cc1[N+](=O)[O-] ZINC000590589602 357562876 /nfs/dbraw/zinc/56/28/76/357562876.db2.gz XXBPLGGOTQLFBK-MRVPVSSYSA-N -1 3 302.327 2.119 20 5 DEBDHM 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/nfs/dbraw/zinc/63/47/80/358634780.db2.gz GLFALLOZBKTXJM-UHFFFAOYSA-N -1 3 303.322 2.111 20 5 DEBDHM O=c1[n-]ccc(N2CC[C@@H](Oc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596525960 358705990 /nfs/dbraw/zinc/70/59/90/358705990.db2.gz XJMKRBVLOJZXQD-GFCCVEGCSA-N -1 3 301.302 2.353 20 5 DEBDHM C[C@H](c1ccccc1)[C@H](O)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596547475 358710768 /nfs/dbraw/zinc/71/07/68/358710768.db2.gz GHLBNGMIHJMGJM-ZWNOBZJWSA-N -1 3 303.318 2.272 20 5 DEBDHM CC1CC(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000598623934 359265571 /nfs/dbraw/zinc/26/55/71/359265571.db2.gz UMCRJBOPPWZGSS-UHFFFAOYSA-N -1 3 302.327 2.058 20 5 DEBDHM CCC1([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000601424832 360036559 /nfs/dbraw/zinc/03/65/59/360036559.db2.gz GSLAQORFKWOZNV-UHFFFAOYSA-N -1 3 302.327 2.263 20 5 DEBDHM CC(C)c1n[nH]c(C(=O)[N-]OCCC(F)(F)F)c1[N+](=O)[O-] ZINC000275200138 212189861 /nfs/dbraw/zinc/18/98/61/212189861.db2.gz GSFROJNFUKYXTD-UHFFFAOYSA-N -1 3 310.232 2.055 20 5 DEBDHM 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DEBDHM COC[C@H](C)OC[C@@H](C)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227743282 803273890 /nfs/dbraw/zinc/27/38/90/803273890.db2.gz KKYRFNKYKDGTNP-VHSXEESVSA-N -1 3 309.322 2.290 20 5 DEBDHM CCOC(=O)C1CC(Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227746394 803274302 /nfs/dbraw/zinc/27/43/02/803274302.db2.gz SDETVSBGPCAZDI-UHFFFAOYSA-N -1 3 305.290 2.192 20 5 DEBDHM CCOC(=O)C1CC(Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227746394 803274305 /nfs/dbraw/zinc/27/43/05/803274305.db2.gz SDETVSBGPCAZDI-UHFFFAOYSA-N -1 3 305.290 2.192 20 5 DEBDHM Cc1cn2c(n1)[C@@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])CCC2 ZINC001228688463 803395264 /nfs/dbraw/zinc/39/52/64/803395264.db2.gz IZSGDVYBYNYICI-JTQLQIEISA-N -1 3 304.306 2.423 20 5 DEBDHM CN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])CC1(O)CCCC1 ZINC001598507119 992518820 /nfs/dbraw/zinc/51/88/20/992518820.db2.gz MJIIJEGKPABQGH-UHFFFAOYSA-N -1 3 308.334 2.030 20 5 DEBDHM CC1(C)C[C@@H](O)CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001593861830 996656731 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323.349 2.080 20 5 DEBDHM COc1cc(CNCc2ccn(C(C)C)n2)c([N+](=O)[O-])cc1[O-] ZINC001647024984 1074771312 /nfs/dbraw/zinc/77/13/12/1074771312.db2.gz IPRDLLLRQDYRFI-UHFFFAOYSA-N -1 3 320.349 2.376 20 5 DEBDHM O=C(Nc1ccc2c(c1)CCOC2)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001559016012 1075110773 /nfs/dbraw/zinc/11/07/73/1075110773.db2.gz FCNNJXXWMJBGCM-UHFFFAOYSA-N -1 3 315.285 2.020 20 5 DEBDHM Cc1noc(CSc2ccc(-c3nnn[n-]3)cc2)c1[N+](=O)[O-] ZINC001581636446 1076087151 /nfs/dbraw/zinc/08/71/51/1076087151.db2.gz RSCRQUWSGNXXFW-UHFFFAOYSA-N -1 3 318.318 2.364 20 5 DEBDHM Cc1noc(CSc2ccc(-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC001581636446 1076087153 /nfs/dbraw/zinc/08/71/53/1076087153.db2.gz RSCRQUWSGNXXFW-UHFFFAOYSA-N -1 3 318.318 2.364 20 5 DEBDHM CC(C)OCCCCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001589748532 1076510037 /nfs/dbraw/zinc/51/00/37/1076510037.db2.gz TUWQFBOJANNCSO-UHFFFAOYSA-N -1 3 320.353 2.392 20 5 DEBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1cccnc1 ZINC001589982233 1076541767 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ZINC001590340102 1076614732 /nfs/dbraw/zinc/61/47/32/1076614732.db2.gz ZOYKUIPKIRLJJK-VXNVDRBHSA-N -1 3 306.351 2.081 20 5 DEBDHM CC[C@@H](C)CC(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590406836 1076622254 /nfs/dbraw/zinc/62/22/54/1076622254.db2.gz SERNRTMFRBVGDH-SECBINFHSA-N -1 3 319.321 2.254 20 5 DEBDHM CC[C@@H](C)CC(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590406836 1076622256 /nfs/dbraw/zinc/62/22/56/1076622256.db2.gz SERNRTMFRBVGDH-SECBINFHSA-N -1 3 319.321 2.254 20 5 DEBDHM CC[C@H]1CCC[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590508748 1076643911 /nfs/dbraw/zinc/64/39/11/1076643911.db2.gz PKDWOABUNXVRTK-VHSXEESVSA-N -1 3 317.353 2.408 20 5 DEBDHM CC[C@H]1CCC[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590508748 1076643914 /nfs/dbraw/zinc/64/39/14/1076643914.db2.gz PKDWOABUNXVRTK-VHSXEESVSA-N -1 3 317.353 2.408 20 5 DEBDHM CCOC(C)(C)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590780754 1076674872 /nfs/dbraw/zinc/67/48/72/1076674872.db2.gz 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ZINC001591390199 1076738309 /nfs/dbraw/zinc/73/83/09/1076738309.db2.gz CWXJBSDTQPGTNJ-UHFFFAOYSA-N -1 3 318.337 2.146 20 5 DEBDHM Cc1cc(N(C)Cc2ccco2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591996921 1076828096 /nfs/dbraw/zinc/82/80/96/1076828096.db2.gz QJBBZJBMLGJBDU-UHFFFAOYSA-N -1 3 314.305 2.313 20 5 DEBDHM Cc1cc(N(C)Cc2ccco2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591996921 1076828098 /nfs/dbraw/zinc/82/80/98/1076828098.db2.gz QJBBZJBMLGJBDU-UHFFFAOYSA-N -1 3 314.305 2.313 20 5 DEBDHM Cc1cnc(OCc2ccc(-c3nnn[n-]3)s2)c([N+](=O)[O-])c1 ZINC001592294144 1076891420 /nfs/dbraw/zinc/89/14/20/1076891420.db2.gz YYHWXNDIAYDZGU-UHFFFAOYSA-N -1 3 318.318 2.119 20 5 DEBDHM Cc1cncc(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c1 ZINC001592300040 1076892894 /nfs/dbraw/zinc/89/28/94/1076892894.db2.gz BOWWACLIFYFKDZ-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1ncc(CSc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)o1 ZINC001592410425 1076910798 /nfs/dbraw/zinc/91/07/98/1076910798.db2.gz PWSOGNRLFLFTRO-UHFFFAOYSA-N -1 3 318.318 2.364 20 5 DEBDHM Cc1ncc(CSc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)o1 ZINC001592410425 1076910800 /nfs/dbraw/zinc/91/08/00/1076910800.db2.gz PWSOGNRLFLFTRO-UHFFFAOYSA-N -1 3 318.318 2.364 20 5 DEBDHM Cc1occc1CN(C)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001592511168 1076922956 /nfs/dbraw/zinc/92/29/56/1076922956.db2.gz KIAILAXBPOXQNW-UHFFFAOYSA-N -1 3 314.305 2.313 20 5 DEBDHM Cc1occc1CN(C)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001592511168 1076922959 /nfs/dbraw/zinc/92/29/59/1076922959.db2.gz KIAILAXBPOXQNW-UHFFFAOYSA-N -1 3 314.305 2.313 20 5 DEBDHM Nc1c([N+](=O)[O-])ccc(SCc2ccco2)c1-c1nnn[n-]1 ZINC001592759029 1076957993 /nfs/dbraw/zinc/95/79/93/1076957993.db2.gz OXDDVMZPIXRVGZ-UHFFFAOYSA-N -1 3 318.318 2.242 20 5 DEBDHM Nc1c([N+](=O)[O-])ccc(SCc2ccco2)c1-c1nn[n-]n1 ZINC001592759029 1076957996 /nfs/dbraw/zinc/95/79/96/1076957996.db2.gz OXDDVMZPIXRVGZ-UHFFFAOYSA-N -1 3 318.318 2.242 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC001593470848 1077006763 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COCCC(C)(C)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609321129 1077833032 /nfs/dbraw/zinc/83/30/32/1077833032.db2.gz PICJOECSOMZKEV-UHFFFAOYSA-N -1 3 320.353 2.250 20 5 DEBDHM Cc1cc(N2CC[C@@H](C)[C@@H](F)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609404981 1077852112 /nfs/dbraw/zinc/85/21/12/1077852112.db2.gz ROICJIYEKDUFQI-KCJUWKMLSA-N -1 3 320.328 2.268 20 5 DEBDHM Cc1cc(N2CC[C@@H](C)[C@@H](F)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609404981 1077852115 /nfs/dbraw/zinc/85/21/15/1077852115.db2.gz ROICJIYEKDUFQI-KCJUWKMLSA-N -1 3 320.328 2.268 20 5 DEBDHM Cc1nc(NCc2cccc([N+](=O)[O-])c2)ccc1-c1nnn[n-]1 ZINC001609453566 1077862996 /nfs/dbraw/zinc/86/29/96/1077862996.db2.gz JAKUREVPTOTITK-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1nc(NCc2cccc([N+](=O)[O-])c2)ccc1-c1nn[n-]n1 ZINC001609453566 1077862998 /nfs/dbraw/zinc/86/29/98/1077862998.db2.gz JAKUREVPTOTITK-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM CC[C@H]1CCCN1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001609952841 1077957644 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316.354 2.381 20 5 DEBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)C(F)(F)F ZINC000288236734 220035138 /nfs/dbraw/zinc/03/51/38/220035138.db2.gz AFCXLEIZGUVDFW-SSDOTTSWSA-N -1 3 312.269 2.132 20 5 DEBDHM CCC(CC)c1nnc([N-]C(=O)c2cc([N+](=O)[O-])n[nH]2)s1 ZINC000285032523 218265023 /nfs/dbraw/zinc/26/50/23/218265023.db2.gz GABVCJWJDAVNSZ-UHFFFAOYSA-N -1 3 310.339 2.325 20 5 DEBDHM CCCC(C)(C)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000065268663 184320154 /nfs/dbraw/zinc/32/01/54/184320154.db2.gz ADLGDFUIHXOHQL-UHFFFAOYSA-N -1 3 316.379 2.460 20 5 DEBDHM CCCCc1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)n[nH]1 ZINC000153413289 196876753 /nfs/dbraw/zinc/87/67/53/196876753.db2.gz GPXRWENZDBLMNJ-UHFFFAOYSA-N -1 3 305.294 2.013 20 5 DEBDHM CCOc1cc(NCc2cnc(C)[n-]c2=O)ccc1[N+](=O)[O-] ZINC000343615607 132694309 /nfs/dbraw/zinc/69/43/09/132694309.db2.gz ZYOGLGMFSRIACH-UHFFFAOYSA-N -1 3 304.306 2.410 20 5 DEBDHM O=C(Nc1cc(C2CC2)ccn1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000359681488 133138797 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CS[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821949289 599073455 /nfs/dbraw/zinc/07/34/55/599073455.db2.gz GFWORTKHPRWHAX-WPRPVWTQSA-N -1 3 320.378 2.471 20 5 DEBDHM CC[C@H]1C[C@@H](C)CN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820971280 599688999 /nfs/dbraw/zinc/68/89/99/599688999.db2.gz AOSKTSJGCXSMKJ-KOLCDFICSA-N -1 3 302.338 2.400 20 5 DEBDHM CC[C@H]1C[C@@H](C)CN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820971280 599689000 /nfs/dbraw/zinc/68/90/00/599689000.db2.gz AOSKTSJGCXSMKJ-KOLCDFICSA-N -1 3 302.338 2.400 20 5 DEBDHM COC[C@@](C)(CC(=O)[O-])NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000831578081 601489613 /nfs/dbraw/zinc/48/96/13/601489613.db2.gz KQYVHPVRFFDTRH-CYBMUJFWSA-N -1 3 316.741 2.218 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1C[C@H]2CCCC[C@@H]2C1 ZINC000823629940 606106210 /nfs/dbraw/zinc/10/62/10/606106210.db2.gz MWDRWDZQSDPESX-VXGBXAGGSA-N -1 3 314.349 2.401 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1C[C@H]2CCCC[C@@H]2C1 ZINC000823629940 606106211 /nfs/dbraw/zinc/10/62/11/606106211.db2.gz MWDRWDZQSDPESX-VXGBXAGGSA-N -1 3 314.349 2.401 20 5 DEBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CCOCC1 ZINC000820456641 606791289 /nfs/dbraw/zinc/79/12/89/606791289.db2.gz VXSBOBIQBGUAOI-SECBINFHSA-N -1 3 318.337 2.002 20 5 DEBDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CCOCC1 ZINC000820456641 606791290 /nfs/dbraw/zinc/79/12/90/606791290.db2.gz VXSBOBIQBGUAOI-SECBINFHSA-N -1 3 318.337 2.002 20 5 DEBDHM CCC[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821039763 606875293 /nfs/dbraw/zinc/87/52/93/606875293.db2.gz GQXNLSLWWZQWON-SNVBAGLBSA-N -1 3 317.353 2.186 20 5 DEBDHM CCC[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821039763 606875294 /nfs/dbraw/zinc/87/52/94/606875294.db2.gz GQXNLSLWWZQWON-SNVBAGLBSA-N -1 3 317.353 2.186 20 5 DEBDHM C[C@H]1OCC[C@@H]1Sc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825018957 607820104 /nfs/dbraw/zinc/82/01/04/607820104.db2.gz BMUVYKMOTDUKOB-XCBNKYQSSA-N -1 3 307.335 2.044 20 5 DEBDHM C[C@H]1OCC[C@@H]1Sc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825018957 607820105 /nfs/dbraw/zinc/82/01/05/607820105.db2.gz BMUVYKMOTDUKOB-XCBNKYQSSA-N -1 3 307.335 2.044 20 5 DEBDHM O=[N+]([O-])c1cc(Cl)ccc1Cn1ccc(-c2nnn[n-]2)c1 ZINC000826498134 607891789 /nfs/dbraw/zinc/89/17/89/607891789.db2.gz IKMIXXYZKZYEIE-UHFFFAOYSA-N -1 3 304.697 2.278 20 5 DEBDHM O=[N+]([O-])c1cc(Cl)ccc1Cn1ccc(-c2nn[n-]n2)c1 ZINC000826498134 607891790 /nfs/dbraw/zinc/89/17/90/607891790.db2.gz IKMIXXYZKZYEIE-UHFFFAOYSA-N -1 3 304.697 2.278 20 5 DEBDHM Cc1cc(NC(=O)c2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000826270764 609244775 /nfs/dbraw/zinc/24/47/75/609244775.db2.gz NVUBZTPRZVJXAR-UHFFFAOYSA-N -1 3 324.300 2.336 20 5 DEBDHM Cc1cc(NC(=O)c2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000826270764 609244776 /nfs/dbraw/zinc/24/47/76/609244776.db2.gz NVUBZTPRZVJXAR-UHFFFAOYSA-N -1 3 324.300 2.336 20 5 DEBDHM CCC[C@@H]1CN(Cc2ccc([O-])c(OC)c2[N+](=O)[O-])CCO1 ZINC000892068961 624768626 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O=C(Oc1cccc2c1OCCO2)c1ccc([N+](=O)[O-])cc1[O-] ZINC000774034755 641855632 /nfs/dbraw/zinc/85/56/32/641855632.db2.gz WSJORYJRAUEYNM-UHFFFAOYSA-N -1 3 317.253 2.291 20 5 DEBDHM Cc1cccc(CO[N-]C(=O)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000898934880 641859773 /nfs/dbraw/zinc/85/97/73/641859773.db2.gz SZHGQYSDECLMPD-UHFFFAOYSA-N -1 3 315.329 2.479 20 5 DEBDHM COc1ccc(CC(=O)[N-]OCCC(F)(F)F)cc1[N+](=O)[O-] ZINC000777972474 642328007 /nfs/dbraw/zinc/32/80/07/642328007.db2.gz BFEGEAOQGKCBCV-UHFFFAOYSA-N -1 3 322.239 2.146 20 5 DEBDHM COC(=O)c1cc(C(=O)OCc2c(F)cccc2[N+](=O)[O-])c[n-]1 ZINC000814528286 646901265 /nfs/dbraw/zinc/90/12/65/646901265.db2.gz NHXREIOKKNGBRM-UHFFFAOYSA-N -1 3 322.248 2.206 20 5 DEBDHM COC(C)(C)[C@H](C)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000921424380 648311310 /nfs/dbraw/zinc/31/13/10/648311310.db2.gz IEHKHZKSPCMKML-QMMMGPOBSA-N -1 3 322.408 2.057 20 5 DEBDHM O=[N+]([O-])c1ccc(Oc2cccnc2F)c(-c2nnn[n-]2)c1 ZINC000823645533 648461209 /nfs/dbraw/zinc/46/12/09/648461209.db2.gz SZOTWHANNBCENX-UHFFFAOYSA-N -1 3 302.225 2.101 20 5 DEBDHM O=[N+]([O-])c1ccc(Oc2cccnc2F)c(-c2nn[n-]n2)c1 ZINC000823645533 648461212 /nfs/dbraw/zinc/46/12/12/648461212.db2.gz SZOTWHANNBCENX-UHFFFAOYSA-N -1 3 302.225 2.101 20 5 DEBDHM COC(=O)c1ccc([N+](=O)[O-])c(CO[N-]C(=O)CC(C)(C)C)c1 ZINC000844764816 651167724 /nfs/dbraw/zinc/16/77/24/651167724.db2.gz KUFFXMDEYYHNDO-UHFFFAOYSA-N -1 3 324.333 2.365 20 5 DEBDHM CCCCC[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000845812021 651284862 /nfs/dbraw/zinc/28/48/62/651284862.db2.gz XZNYVAPPUPFUTJ-SNVBAGLBSA-N -1 3 301.368 2.237 20 5 DEBDHM O=c1[n-]ccc(NC[C@H]2COC3(CCCCC3)O2)c1[N+](=O)[O-] ZINC000853469795 652551569 /nfs/dbraw/zinc/55/15/69/652551569.db2.gz QCDWEEOEQPSLII-JTQLQIEISA-N -1 3 309.322 2.183 20 5 DEBDHM C[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000853558316 652568428 /nfs/dbraw/zinc/56/84/28/652568428.db2.gz HEYXPNLQNYGXPT-QMMMGPOBSA-N -1 3 312.326 2.021 20 5 DEBDHM COc1ccc2c(c1)CN(c1cc[n-]c(=O)c1[N+](=O)[O-])CCO2 ZINC000853666024 652586528 /nfs/dbraw/zinc/58/65/28/652586528.db2.gz YUYMQLKCWWKXAX-UHFFFAOYSA-N -1 3 317.301 2.103 20 5 DEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CC12CCC2 ZINC000872651557 689056789 /nfs/dbraw/zinc/05/67/89/689056789.db2.gz BSILCOFDSZTEPA-LLVKDONJSA-N -1 3 316.766 2.469 20 5 DEBDHM CC/C(C)=C\C(=O)N(CC)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001106747257 782911206 /nfs/dbraw/zinc/91/12/06/782911206.db2.gz YVJPAZKJGXXBOV-KHPPLWFESA-N -1 3 322.365 2.312 20 5 DEBDHM CCCCCCC(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093610958 792493517 /nfs/dbraw/zinc/49/35/17/792493517.db2.gz GDCJLYPIPGCXME-UHFFFAOYSA-N -1 3 310.354 2.194 20 5 DEBDHM Nc1cc2nc3ccccc3n(-c3cncc([O-])c3)c-2cc1=O ZINC001201646502 798783742 /nfs/dbraw/zinc/78/37/42/798783742.db2.gz GXNGFRYQOQUREU-UHFFFAOYSA-N -1 3 304.309 2.173 20 5 DEBDHM O=c1[nH][n-]cc1CCCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC001164382224 799589998 /nfs/dbraw/zinc/58/99/98/799589998.db2.gz MMEBMDSMPZBVDP-LLVKDONJSA-N -1 3 313.317 2.067 20 5 DEBDHM COc1ccc([N+](=O)[O-])cc1Nc1ccc(C(N)=O)cc1[O-] ZINC001210450166 801403883 /nfs/dbraw/zinc/40/38/83/801403883.db2.gz QVTNLGHGWIQDBD-UHFFFAOYSA-N -1 3 303.274 2.152 20 5 DEBDHM Cc1c(CN[C@@H](CC(F)(F)F)C(=O)[O-])cccc1[N+](=O)[O-] ZINC001332420817 961565690 /nfs/dbraw/zinc/56/56/90/961565690.db2.gz RVKQZBDUSAFWFJ-VIFPVBQESA-N -1 3 306.240 2.398 20 5 DEBDHM C[C@@H]1CCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C[C@H]1C ZINC001603911440 1070146507 /nfs/dbraw/zinc/14/65/07/1070146507.db2.gz NZYLTBQWYNHEFP-NXEZZACHSA-N -1 3 302.338 2.257 20 5 DEBDHM C[C@@H]1CCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C[C@H]1C ZINC001603911440 1070146511 /nfs/dbraw/zinc/14/65/11/1070146511.db2.gz NZYLTBQWYNHEFP-NXEZZACHSA-N -1 3 302.338 2.257 20 5 DEBDHM CC[C@@](C)(CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)OC ZINC001603987714 1070165709 /nfs/dbraw/zinc/16/57/09/1070165709.db2.gz WLWAAMYEWWTALY-ZDUSSCGKSA-N -1 3 306.326 2.002 20 5 DEBDHM CC[C@@](C)(CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)OC ZINC001603987714 1070165717 /nfs/dbraw/zinc/16/57/17/1070165717.db2.gz WLWAAMYEWWTALY-ZDUSSCGKSA-N -1 3 306.326 2.002 20 5 DEBDHM CC[C@H]1[C@@H](C)CCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604096327 1070212751 /nfs/dbraw/zinc/21/27/51/1070212751.db2.gz HBFSLDRBTDKKBA-ONGXEEELSA-N -1 3 302.338 2.400 20 5 DEBDHM CC[C@H]1[C@@H](C)CCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604096327 1070212759 /nfs/dbraw/zinc/21/27/59/1070212759.db2.gz HBFSLDRBTDKKBA-ONGXEEELSA-N -1 3 302.338 2.400 20 5 DEBDHM Cc1cccc([N+](=O)[O-])c1NCc1ccc(-c2nnn[n-]2)cn1 ZINC001605926954 1070977424 /nfs/dbraw/zinc/97/74/24/1070977424.db2.gz WZCGAMYBWCFRAB-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1cccc([N+](=O)[O-])c1NCc1ccc(-c2nn[n-]n2)cn1 ZINC001605926954 1070977430 /nfs/dbraw/zinc/97/74/30/1070977430.db2.gz WZCGAMYBWCFRAB-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM CO[C@H]1CCCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001606748407 1071205973 /nfs/dbraw/zinc/20/59/73/1071205973.db2.gz HOYWVPKASUSOCK-ZDUSSCGKSA-N -1 3 308.334 2.294 20 5 DEBDHM COc1c([O-])ccc(C[NH2+]CC2(C(=O)[O-])CCCC2)c1[N+](=O)[O-] ZINC001607051034 1071284112 /nfs/dbraw/zinc/28/41/12/1071284112.db2.gz UOLGCXAWEOYNAH-UHFFFAOYSA-N -1 3 324.333 2.044 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NCCc1ccoc1 ZINC001607077860 1071288529 /nfs/dbraw/zinc/28/85/29/1071288529.db2.gz UGRXATXNIQGKEA-UHFFFAOYSA-N -1 3 318.268 2.162 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NCCc1ccoc1 ZINC001607077860 1071288533 /nfs/dbraw/zinc/28/85/33/1071288533.db2.gz UGRXATXNIQGKEA-UHFFFAOYSA-N -1 3 318.268 2.162 20 5 DEBDHM C[C@H]1Cc2cc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)ccc2O1 ZINC001472164793 1060438650 /nfs/dbraw/zinc/43/86/50/1060438650.db2.gz WSWUCZIASZVMHD-QMMMGPOBSA-N -1 3 315.285 2.271 20 5 DEBDHM CC(=O)Nc1cccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001472660237 1060563715 /nfs/dbraw/zinc/56/37/15/1060563715.db2.gz PXFRTSHCNOYHGF-UHFFFAOYSA-N -1 3 302.290 2.266 20 5 DEBDHM COc1c([O-])ccc(CN(C)Cc2nnc(C)s2)c1[N+](=O)[O-] ZINC001474639370 1060911255 /nfs/dbraw/zinc/91/12/55/1060911255.db2.gz CWZWYSQCJOFBHL-UHFFFAOYSA-N -1 3 324.362 2.101 20 5 DEBDHM C[C@@H](NC(=O)c1ccc(O)cc1[O-])c1ccc([N+](=O)[O-])cc1 ZINC001637925522 1078540026 /nfs/dbraw/zinc/54/00/26/1078540026.db2.gz GBGSGHQBOMMKGO-SECBINFHSA-N -1 3 302.286 2.497 20 5 DEBDHM C[C@@](O)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC001642528064 1078758165 /nfs/dbraw/zinc/75/81/65/1078758165.db2.gz IPEKGMNSMHGGAP-CQSZACIVSA-N -1 3 307.281 2.154 20 5 DEBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N)cc2)cc1[N+](=O)[O-] ZINC000020431764 1069016254 /nfs/dbraw/zinc/01/62/54/1069016254.db2.gz GGEZMGHBMPWUQQ-UHFFFAOYSA-N -1 3 307.331 2.286 20 5 DEBDHM Cc1cccc2nc(CCNc3cc[n-]c(=O)c3[N+](=O)[O-])cn21 ZINC001559227635 1075115705 /nfs/dbraw/zinc/11/57/05/1075115705.db2.gz XQZJZOJIHKFQJA-UHFFFAOYSA-N -1 3 313.317 2.306 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCCc1ccco1 ZINC001582803311 1076185274 /nfs/dbraw/zinc/18/52/74/1076185274.db2.gz BRPUEMXBDVOKOJ-UHFFFAOYSA-N -1 3 314.305 2.413 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCCc1ccco1 ZINC001582803311 1076185277 /nfs/dbraw/zinc/18/52/77/1076185277.db2.gz BRPUEMXBDVOKOJ-UHFFFAOYSA-N -1 3 314.305 2.413 20 5 DEBDHM CC(C)(C)OCCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001589197193 1076478853 /nfs/dbraw/zinc/47/88/53/1076478853.db2.gz HOJRZCSWZVAQBI-UHFFFAOYSA-N -1 3 306.326 2.002 20 5 DEBDHM CC(C)C1(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001589491282 1076492194 /nfs/dbraw/zinc/49/21/94/1076492194.db2.gz QXWVRAVWBUNAHS-UHFFFAOYSA-N -1 3 303.326 2.018 20 5 DEBDHM CC(C)C1(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001589491282 1076492197 /nfs/dbraw/zinc/49/21/97/1076492197.db2.gz QXWVRAVWBUNAHS-UHFFFAOYSA-N -1 3 303.326 2.018 20 5 DEBDHM CC(C)SCCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589761388 1076511116 /nfs/dbraw/zinc/51/11/16/1076511116.db2.gz NBASNKSXICHFAL-UHFFFAOYSA-N -1 3 308.367 2.328 20 5 DEBDHM CC(C)SCCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589761388 1076511119 /nfs/dbraw/zinc/51/11/19/1076511119.db2.gz NBASNKSXICHFAL-UHFFFAOYSA-N -1 3 308.367 2.328 20 5 DEBDHM C[C@]1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1(F)F ZINC001590134078 1076570584 /nfs/dbraw/zinc/57/05/84/1076570584.db2.gz NBHQWVFXCGCBMF-LLVKDONJSA-N -1 3 310.264 2.232 20 5 DEBDHM C[C@]1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1(F)F ZINC001590134078 1076570587 /nfs/dbraw/zinc/57/05/87/1076570587.db2.gz NBHQWVFXCGCBMF-LLVKDONJSA-N -1 3 310.264 2.232 20 5 DEBDHM C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCS1 ZINC001590210547 1076585112 /nfs/dbraw/zinc/58/51/12/1076585112.db2.gz YAKXHMYZUWEBRV-RKDXNWHRSA-N -1 3 320.378 2.471 20 5 DEBDHM C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCS1 ZINC001590210547 1076585117 /nfs/dbraw/zinc/58/51/17/1076585117.db2.gz YAKXHMYZUWEBRV-RKDXNWHRSA-N -1 3 320.378 2.471 20 5 DEBDHM C[C@@H]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H]1C ZINC001590241572 1076595501 /nfs/dbraw/zinc/59/55/01/1076595501.db2.gz WUTZYVXNKLHZCD-BBBLOLIVSA-N -1 3 317.353 2.407 20 5 DEBDHM C[C@@H]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H]1C ZINC001590241572 1076595506 /nfs/dbraw/zinc/59/55/06/1076595506.db2.gz WUTZYVXNKLHZCD-BBBLOLIVSA-N -1 3 317.353 2.407 20 5 DEBDHM C[C@@H]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H]1C ZINC001590241580 1076596356 /nfs/dbraw/zinc/59/63/56/1076596356.db2.gz WUTZYVXNKLHZCD-OPRDCNLKSA-N -1 3 317.353 2.407 20 5 DEBDHM C[C@@H]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H]1C ZINC001590241580 1076596359 /nfs/dbraw/zinc/59/63/59/1076596359.db2.gz WUTZYVXNKLHZCD-OPRDCNLKSA-N -1 3 317.353 2.407 20 5 DEBDHM CC[C@H]1CCCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001590513725 1076646036 /nfs/dbraw/zinc/64/60/36/1076646036.db2.gz WUXKZBCFVIYNBT-JTQLQIEISA-N -1 3 302.338 2.401 20 5 DEBDHM CC[C@H]1CCCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001590513725 1076646038 /nfs/dbraw/zinc/64/60/38/1076646038.db2.gz WUXKZBCFVIYNBT-JTQLQIEISA-N -1 3 302.338 2.401 20 5 DEBDHM CCCCC(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590573475 1076655437 /nfs/dbraw/zinc/65/54/37/1076655437.db2.gz SCOHYQBJCAWKRT-UHFFFAOYSA-N -1 3 305.294 2.008 20 5 DEBDHM CCCCC(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590573475 1076655439 /nfs/dbraw/zinc/65/54/39/1076655439.db2.gz SCOHYQBJCAWKRT-UHFFFAOYSA-N -1 3 305.294 2.008 20 5 DEBDHM CN(C[C@@H]1CC1(C)C)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591053869 1076705172 /nfs/dbraw/zinc/70/51/72/1076705172.db2.gz VKLLAXLTRHCRBU-VIFPVBQESA-N -1 3 302.338 2.257 20 5 DEBDHM CN(C[C@@H]1CC1(C)C)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591053869 1076705174 /nfs/dbraw/zinc/70/51/74/1076705174.db2.gz VKLLAXLTRHCRBU-VIFPVBQESA-N -1 3 302.338 2.257 20 5 DEBDHM CN(CC1CCCC1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591054794 1076706418 /nfs/dbraw/zinc/70/64/18/1076706418.db2.gz QJJDRXUSCQZPCF-UHFFFAOYSA-N -1 3 302.338 2.401 20 5 DEBDHM CN(CC1CCCC1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591054794 1076706423 /nfs/dbraw/zinc/70/64/23/1076706423.db2.gz QJJDRXUSCQZPCF-UHFFFAOYSA-N -1 3 302.338 2.401 20 5 DEBDHM Cc1nc(NCc2ccc([N+](=O)[O-])cc2)ccc1-c1nnn[n-]1 ZINC001592396324 1076909126 /nfs/dbraw/zinc/90/91/26/1076909126.db2.gz ZQPFBJGSTMCELS-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1nc(NCc2ccc([N+](=O)[O-])cc2)ccc1-c1nn[n-]n1 ZINC001592396324 1076909129 /nfs/dbraw/zinc/90/91/29/1076909129.db2.gz ZQPFBJGSTMCELS-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCC[C@@H]1CCSC1 ZINC001593470184 1077007145 /nfs/dbraw/zinc/00/71/45/1077007145.db2.gz ICYADACHGIZHCP-SECBINFHSA-N -1 3 320.378 2.330 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCC[C@@H]1CCSC1 ZINC001593470184 1077007149 /nfs/dbraw/zinc/00/71/49/1077007149.db2.gz ICYADACHGIZHCP-SECBINFHSA-N -1 3 320.378 2.330 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@@H]1C[C@H]1c1ccco1 ZINC001593483272 1077010453 /nfs/dbraw/zinc/01/04/53/1077010453.db2.gz NFSBFFUPZIQUMT-NXEZZACHSA-N -1 3 312.289 2.336 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@@H]1C[C@H]1c1ccco1 ZINC001593483272 1077010458 /nfs/dbraw/zinc/01/04/58/1077010458.db2.gz NFSBFFUPZIQUMT-NXEZZACHSA-N -1 3 312.289 2.336 20 5 DEBDHM O=[N+]([O-])c1cnc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC001593486964 1077010669 /nfs/dbraw/zinc/01/06/69/1077010669.db2.gz FDZCGULMKOBGFR-UHFFFAOYSA-N -1 3 302.225 2.101 20 5 DEBDHM O=[N+]([O-])c1cnc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC001593486964 1077010673 /nfs/dbraw/zinc/01/06/73/1077010673.db2.gz FDZCGULMKOBGFR-UHFFFAOYSA-N -1 3 302.225 2.101 20 5 DEBDHM C[C@@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H](C)O1 ZINC001609156053 1077776825 /nfs/dbraw/zinc/77/68/25/1077776825.db2.gz BDTJKURSKYYHRJ-WCABBAIRSA-N -1 3 318.337 2.000 20 5 DEBDHM C[C@@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@H](C)O1 ZINC001609156053 1077776827 /nfs/dbraw/zinc/77/68/27/1077776827.db2.gz BDTJKURSKYYHRJ-WCABBAIRSA-N -1 3 318.337 2.000 20 5 DEBDHM Cc1cc(N2CC[C@@H](C)[C@H](F)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609404983 1077852214 /nfs/dbraw/zinc/85/22/14/1077852214.db2.gz ROICJIYEKDUFQI-LDYMZIIASA-N -1 3 320.328 2.268 20 5 DEBDHM Cc1cc(N2CC[C@@H](C)[C@H](F)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609404983 1077852217 /nfs/dbraw/zinc/85/22/17/1077852217.db2.gz ROICJIYEKDUFQI-LDYMZIIASA-N -1 3 320.328 2.268 20 5 DEBDHM Cc1cc(NC[C@H]2CCCS2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609409773 1077853646 /nfs/dbraw/zinc/85/36/46/1077853646.db2.gz WPQJCXBHODVGGW-SECBINFHSA-N -1 3 320.378 2.391 20 5 DEBDHM Cc1cc(NC[C@H]2CCCS2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609409773 1077853648 /nfs/dbraw/zinc/85/36/48/1077853648.db2.gz WPQJCXBHODVGGW-SECBINFHSA-N -1 3 320.378 2.391 20 5 DEBDHM O=[N+]([O-])c1ccc(C=Cc2ccncc2-c2nnn[n-]2)c(F)c1 ZINC001609601551 1077881882 /nfs/dbraw/zinc/88/18/82/1077881882.db2.gz NDZZQGILSMDQSN-UPHRSURJSA-N -1 3 312.264 2.479 20 5 DEBDHM O=[N+]([O-])c1ccc(C=Cc2ccncc2-c2nn[n-]n2)c(F)c1 ZINC001609601551 1077881884 /nfs/dbraw/zinc/88/18/84/1077881884.db2.gz NDZZQGILSMDQSN-UPHRSURJSA-N -1 3 312.264 2.479 20 5 DEBDHM O=c1[n-]cnc2c1CCN(c1ccc3cnccc3c1[N+](=O)[O-])C2 ZINC001651923519 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/nfs/dbraw/zinc/49/88/00/1076498800.db2.gz MMLXFZDYCNMKKB-SNVBAGLBSA-N -1 3 317.353 2.042 20 5 DEBDHM C[C@@]1(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCCCO1 ZINC001590133616 1076570925 /nfs/dbraw/zinc/57/09/25/1076570925.db2.gz GGJCZSHRZRIXMV-AWEZNQCLSA-N -1 3 318.337 2.146 20 5 DEBDHM C[C@@]1(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCCCO1 ZINC001590133616 1076570930 /nfs/dbraw/zinc/57/09/30/1076570930.db2.gz GGJCZSHRZRIXMV-AWEZNQCLSA-N -1 3 318.337 2.146 20 5 DEBDHM CC1=C[C@H](C)CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590158125 1076576262 /nfs/dbraw/zinc/57/62/62/1076576262.db2.gz VFHPDCNESVOMGZ-VIFPVBQESA-N -1 3 300.322 2.177 20 5 DEBDHM CC1=C[C@H](C)CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001590158125 1076576264 /nfs/dbraw/zinc/57/62/64/1076576264.db2.gz VFHPDCNESVOMGZ-VIFPVBQESA-N -1 3 300.322 2.177 20 5 DEBDHM C[C@@H]1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H]1C ZINC001590239043 1076594320 /nfs/dbraw/zinc/59/43/20/1076594320.db2.gz KJXCEHGWGQBSCQ-KKZNHRDASA-N -1 3 317.353 2.407 20 5 DEBDHM C[C@@H]1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H]1C ZINC001590239043 1076594321 /nfs/dbraw/zinc/59/43/21/1076594321.db2.gz KJXCEHGWGQBSCQ-KKZNHRDASA-N -1 3 317.353 2.407 20 5 DEBDHM C[C@@H]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001590242641 1076595715 /nfs/dbraw/zinc/59/57/15/1076595715.db2.gz LJYLJXXDEFYIGF-NXEZZACHSA-N -1 3 317.353 2.408 20 5 DEBDHM C[C@@H]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001590242641 1076595716 /nfs/dbraw/zinc/59/57/16/1076595716.db2.gz LJYLJXXDEFYIGF-NXEZZACHSA-N -1 3 317.353 2.408 20 5 DEBDHM C[C@H]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590253162 1076601198 /nfs/dbraw/zinc/60/11/98/1076601198.db2.gz QYZYKVHYZPSUOG-VHSXEESVSA-N -1 3 317.353 2.408 20 5 DEBDHM C[C@H]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590253162 1076601201 /nfs/dbraw/zinc/60/12/01/1076601201.db2.gz QYZYKVHYZPSUOG-VHSXEESVSA-N -1 3 317.353 2.408 20 5 DEBDHM CC[C@H](CSCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])OC ZINC001590450518 1076628177 /nfs/dbraw/zinc/62/81/77/1076628177.db2.gz VBWXNZPHNQEBCR-LLVKDONJSA-N -1 3 323.378 2.433 20 5 DEBDHM CC[C@H](CSCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])OC ZINC001590450518 1076628178 /nfs/dbraw/zinc/62/81/78/1076628178.db2.gz VBWXNZPHNQEBCR-LLVKDONJSA-N -1 3 323.378 2.433 20 5 DEBDHM CCOCC(C)(C)CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590799594 1076678657 /nfs/dbraw/zinc/67/86/57/1076678657.db2.gz GGYPWCVOOXNFJN-UHFFFAOYSA-N -1 3 320.353 2.250 20 5 DEBDHM CCOCCCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590811561 1076679721 /nfs/dbraw/zinc/67/97/21/1076679721.db2.gz YKNPZCVCWNTPTH-UHFFFAOYSA-N -1 3 306.326 2.004 20 5 DEBDHM CCOCCCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590811561 1076679723 /nfs/dbraw/zinc/67/97/23/1076679723.db2.gz YKNPZCVCWNTPTH-UHFFFAOYSA-N -1 3 306.326 2.004 20 5 DEBDHM CSC1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCC1 ZINC001591691199 1076772879 /nfs/dbraw/zinc/77/28/79/1076772879.db2.gz BKJGLPSDEKUPDB-UHFFFAOYSA-N -1 3 320.378 2.473 20 5 DEBDHM CSC1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCC1 ZINC001591691199 1076772881 /nfs/dbraw/zinc/77/28/81/1076772881.db2.gz BKJGLPSDEKUPDB-UHFFFAOYSA-N -1 3 320.378 2.473 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@@]2(CC2(F)F)C1 ZINC001593468678 1077006084 /nfs/dbraw/zinc/00/60/84/1077006084.db2.gz QVMLXBJVMFDOLV-GFCCVEGCSA-N -1 3 322.275 2.010 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@@]2(CC2(F)F)C1 ZINC001593468678 1077006086 /nfs/dbraw/zinc/00/60/86/1077006086.db2.gz QVMLXBJVMFDOLV-GFCCVEGCSA-N -1 3 322.275 2.010 20 5 DEBDHM O=[N+]([O-])c1ccc(Cl)cc1Oc1cc(-c2nnn[n-]2)cnn1 ZINC001593476330 1077008009 /nfs/dbraw/zinc/00/80/09/1077008009.db2.gz LUJWEPNWXJRETF-UHFFFAOYSA-N -1 3 319.668 2.011 20 5 DEBDHM O=[N+]([O-])c1ccc(Cl)cc1Oc1cc(-c2nn[n-]n2)cnn1 ZINC001593476330 1077008016 /nfs/dbraw/zinc/00/80/16/1077008016.db2.gz LUJWEPNWXJRETF-UHFFFAOYSA-N -1 3 319.668 2.011 20 5 DEBDHM O=[N+]([O-])c1ccc(CSc2ccncc2-c2nnn[n-]2)cc1 ZINC001593475789 1077008126 /nfs/dbraw/zinc/00/81/26/1077008126.db2.gz NHEJVUJKMSXNOW-UHFFFAOYSA-N -1 3 314.330 2.462 20 5 DEBDHM O=[N+]([O-])c1ccc(CSc2ccncc2-c2nn[n-]n2)cc1 ZINC001593475789 1077008133 /nfs/dbraw/zinc/00/81/33/1077008133.db2.gz NHEJVUJKMSXNOW-UHFFFAOYSA-N -1 3 314.330 2.462 20 5 DEBDHM O=[N+]([O-])c1cc(N2C[C@@H]3CC=CC[C@@H]3C2)ccc1-c1nnn[n-]1 ZINC001593474880 1077008754 /nfs/dbraw/zinc/00/87/54/1077008754.db2.gz VERRWZWUBUAAGC-PHIMTYICSA-N -1 3 312.333 2.177 20 5 DEBDHM O=[N+]([O-])c1ccc(N2Cc3ccc(-c4nnn[n-]4)cc3C2)cc1 ZINC001593478178 1077009868 /nfs/dbraw/zinc/00/98/68/1077009868.db2.gz DYDULCUYTJVMGS-UHFFFAOYSA-N -1 3 308.301 2.295 20 5 DEBDHM O=[N+]([O-])c1ccc(N2Cc3ccc(-c4nn[n-]n4)cc3C2)cc1 ZINC001593478178 1077009873 /nfs/dbraw/zinc/00/98/73/1077009873.db2.gz DYDULCUYTJVMGS-UHFFFAOYSA-N -1 3 308.301 2.295 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1SCc1ccncc1 ZINC001593483523 1077010076 /nfs/dbraw/zinc/01/00/76/1077010076.db2.gz SVCDSVKFEAJARD-UHFFFAOYSA-N -1 3 314.330 2.462 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1SCc1ccncc1 ZINC001593483523 1077010079 /nfs/dbraw/zinc/01/00/79/1077010079.db2.gz SVCDSVKFEAJARD-UHFFFAOYSA-N -1 3 314.330 2.462 20 5 DEBDHM Cc1nn(CN2CCC[C@H]2CC(=O)[O-])c2cc([N+](=O)[O-])ccc12 ZINC001600787280 1077270577 /nfs/dbraw/zinc/27/05/77/1077270577.db2.gz FQRSKNNSDTUNRU-NSHDSACASA-N -1 3 318.333 2.150 20 5 DEBDHM Cc1cc(N[C@@H]2C[C@H]2C2CC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609410049 1077853954 /nfs/dbraw/zinc/85/39/54/1077853954.db2.gz IMACVMMIOGBWSL-JOYOIKCWSA-N -1 3 300.322 2.294 20 5 DEBDHM Cc1cc(N[C@@H]2C[C@H]2C2CC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609410049 1077853958 /nfs/dbraw/zinc/85/39/58/1077853958.db2.gz IMACVMMIOGBWSL-JOYOIKCWSA-N -1 3 300.322 2.294 20 5 DEBDHM Cc1ncsc1CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609457651 1077863559 /nfs/dbraw/zinc/86/35/59/1077863559.db2.gz LZIDTUPUDATSID-UHFFFAOYSA-N -1 3 317.334 2.152 20 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/nfs/dbraw/zinc/85/01/45/1079850145.db2.gz OSEIASHURWIEGB-UHFFFAOYSA-N -1 3 317.301 2.023 20 5 DEBDHM CCOc1cc(N2Cc3nc(C)[n-]c(=O)c3C2)ccc1[N+](=O)[O-] ZINC001652098274 1079851826 /nfs/dbraw/zinc/85/18/26/1079851826.db2.gz KDSACRZWZPHIOL-UHFFFAOYSA-N -1 3 316.317 2.318 20 5 DEBDHM CSc1nc(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)n[n-]1 ZINC001626105279 1086383341 /nfs/dbraw/zinc/38/33/41/1086383341.db2.gz AMJMAIBHVBDSCW-ZJUUUORDSA-N -1 3 319.346 2.177 20 5 DEBDHM CSc1ccncc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001294337831 1139129811 /nfs/dbraw/zinc/12/98/11/1139129811.db2.gz GONWVLBELGJVHN-UHFFFAOYSA-N -1 3 306.303 2.065 20 5 DEBDHM C[C@@H]1C[C@@H]1c1nnc(-c2n[n-]c([N+](=O)[O-])c2Br)o1 ZINC001256710223 1143863948 /nfs/dbraw/zinc/86/39/48/1143863948.db2.gz SIPCBLJTYOLHCZ-DMTCNVIQSA-N -1 3 314.099 2.254 20 5 DEBDHM C[C@@H]1C[C@@H]1c1nnc(-c2[n-]nc([N+](=O)[O-])c2Br)o1 ZINC001256710223 1143863949 /nfs/dbraw/zinc/86/39/49/1143863949.db2.gz SIPCBLJTYOLHCZ-DMTCNVIQSA-N -1 3 314.099 2.254 20 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O=C1[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCN1C1CCCCC1 ZINC000596561241 358713957 /nfs/dbraw/zinc/71/39/57/358713957.db2.gz GENXWUNUPJCBSS-LBPRGKRZSA-N -1 3 320.349 2.041 20 5 DEBDHM Cc1cc(S(=O)(=O)[N-]C2CC(C)C2)c(F)cc1[N+](=O)[O-] ZINC000601362813 360019043 /nfs/dbraw/zinc/01/90/43/360019043.db2.gz JEZHBXLUKQLWIP-UHFFFAOYSA-N -1 3 302.327 2.119 20 5 DEBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000602997312 360661373 /nfs/dbraw/zinc/66/13/73/360661373.db2.gz HNMJQUDKTPOONO-BMFZPTHFSA-N -1 3 306.362 2.426 20 5 DEBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]O[C@@H]1CCCCO1 ZINC000283000674 217379275 /nfs/dbraw/zinc/37/92/75/217379275.db2.gz IJHVRIIPSQNNSR-GFCCVEGCSA-N -1 3 310.306 2.182 20 5 DEBDHM CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000057102745 184027623 /nfs/dbraw/zinc/02/76/23/184027623.db2.gz NRMRAKPINIYCEI-ZJUUUORDSA-N -1 3 316.379 2.316 20 5 DEBDHM O=[N+]([O-])c1cc2c(ncnc2NCc2ncccc2[O-])s1 ZINC000343054832 285100235 /nfs/dbraw/zinc/10/02/35/285100235.db2.gz QDIRPTPHOHMNPI-UHFFFAOYSA-N -1 3 303.303 2.312 20 5 DEBDHM COc1ccc([N+](=O)[O-])cc1CN(C[C@H](C)C(=O)[O-])C1CC1 ZINC000563892571 292078988 /nfs/dbraw/zinc/07/89/88/292078988.db2.gz JKAMLIZJLFPTHJ-JTQLQIEISA-N -1 3 308.334 2.289 20 5 DEBDHM CCCC[C@@H](COC)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000076299155 401789911 /nfs/dbraw/zinc/78/99/11/401789911.db2.gz AMTRVOFIVIVXPY-NSHDSACASA-N -1 3 316.379 2.078 20 5 DEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccn(C)c2)c1C ZINC000121224636 402021949 /nfs/dbraw/zinc/02/19/49/402021949.db2.gz FTQJECHFWZATSV-UHFFFAOYSA-N -1 3 323.374 2.029 20 5 DEBDHM CCCc1[nH]nc(C(=O)Nc2cc(OC)ccc2[O-])c1[N+](=O)[O-] ZINC000153963145 402183825 /nfs/dbraw/zinc/18/38/25/402183825.db2.gz VFPQYWVXZCCWFA-UHFFFAOYSA-N -1 3 320.305 2.237 20 5 DEBDHM O=C(Nc1cnc2ccccc2c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186846530 402467552 /nfs/dbraw/zinc/46/75/52/402467552.db2.gz QYMNKNABUSDFNP-UHFFFAOYSA-N -1 3 310.269 2.496 20 5 DEBDHM 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O=c1cc(OC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc[n-]1 ZINC001226947363 803180100 /nfs/dbraw/zinc/18/01/00/803180100.db2.gz QBEZJZFRQLCXOQ-UHFFFAOYSA-N -1 3 316.317 2.138 20 5 DEBDHM CC(C)(C)N1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001334851486 961843459 /nfs/dbraw/zinc/84/34/59/961843459.db2.gz PUUDSZOAFWHUKT-UHFFFAOYSA-N -1 3 321.377 2.142 20 5 DEBDHM CCCCOCCN[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001595771880 982524156 /nfs/dbraw/zinc/52/41/56/982524156.db2.gz MRIYRWBYNRWHTL-OAHLLOKOSA-N -1 3 310.350 2.301 20 5 DEBDHM CCO[C@H]1C[C@@](NCc2ccccc2[N+](=O)[O-])(C(=O)[O-])C1(C)C ZINC001596837578 985496555 /nfs/dbraw/zinc/49/65/55/985496555.db2.gz MBVCOMMOBNDWGV-XJKSGUPXSA-N -1 3 322.361 2.343 20 5 DEBDHM CCO[C@@H]1CCC[C@H]1NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001596974296 986201297 /nfs/dbraw/zinc/20/12/97/986201297.db2.gz KDDLUTAFYQDDCO-TZMCWYRMSA-N -1 3 308.334 2.340 20 5 DEBDHM C[C@@]1(C(=O)[O-])CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC001593778561 996487758 /nfs/dbraw/zinc/48/77/58/996487758.db2.gz NBRSEMRDETVSLZ-OAHLLOKOSA-N -1 3 318.333 2.089 20 5 DEBDHM COC[C@@]1(C(=O)[O-])CCCCN1Cc1cccc([N+](=O)[O-])c1 ZINC001599189548 997097753 /nfs/dbraw/zinc/09/77/53/997097753.db2.gz DQTVQVSNCXPBNX-OAHLLOKOSA-N -1 3 308.334 2.051 20 5 DEBDHM COc1c([O-])ccc(C[N@H+](CC(=O)[O-])C2CCCC2)c1[N+](=O)[O-] ZINC001599344461 997978098 /nfs/dbraw/zinc/97/80/98/997978098.db2.gz JNFOLZCWPFFRIT-UHFFFAOYSA-N -1 3 324.333 2.138 20 5 DEBDHM COc1c([O-])ccc(C[N@@H+](CC(=O)[O-])C2CCCC2)c1[N+](=O)[O-] ZINC001599344461 997978110 /nfs/dbraw/zinc/97/81/10/997978110.db2.gz JNFOLZCWPFFRIT-UHFFFAOYSA-N -1 3 324.333 2.138 20 5 DEBDHM CC(C)[C@H](Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CC1 ZINC001603230871 1069916147 /nfs/dbraw/zinc/91/61/47/1069916147.db2.gz CMSPACDUGWXTOF-NSHDSACASA-N -1 3 303.326 2.016 20 5 DEBDHM CC(C)[C@H](Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CC1 ZINC001603230871 1069916151 /nfs/dbraw/zinc/91/61/51/1069916151.db2.gz CMSPACDUGWXTOF-NSHDSACASA-N -1 3 303.326 2.016 20 5 DEBDHM CC(C)[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CC1 ZINC001603230815 1069916193 /nfs/dbraw/zinc/91/61/93/1069916193.db2.gz ATYOTIPZCHWMBA-LLVKDONJSA-N -1 3 303.326 2.016 20 5 DEBDHM CC(C)[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CC1 ZINC001603230815 1069916206 /nfs/dbraw/zinc/91/62/06/1069916206.db2.gz ATYOTIPZCHWMBA-LLVKDONJSA-N -1 3 303.326 2.016 20 5 DEBDHM C[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001603888713 1070136899 /nfs/dbraw/zinc/13/68/99/1070136899.db2.gz ZRCMABYATQZYKO-BDAKNGLRSA-N -1 3 317.353 2.348 20 5 DEBDHM C[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001603888713 1070136903 /nfs/dbraw/zinc/13/69/03/1070136903.db2.gz ZRCMABYATQZYKO-BDAKNGLRSA-N -1 3 317.353 2.348 20 5 DEBDHM C[C@@H]1CCC[C@H]1CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603892137 1070139668 /nfs/dbraw/zinc/13/96/68/1070139668.db2.gz ZIBPCNSKOMESHI-BDAKNGLRSA-N -1 3 303.326 2.018 20 5 DEBDHM C[C@@H]1CCC[C@H]1CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603892137 1070139677 /nfs/dbraw/zinc/13/96/77/1070139677.db2.gz ZIBPCNSKOMESHI-BDAKNGLRSA-N -1 3 303.326 2.018 20 5 DEBDHM C[C@@H]1SCC[C@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603956466 1070159529 /nfs/dbraw/zinc/15/95/29/1070159529.db2.gz QPFUDSHXOUBYJN-IONNQARKSA-N -1 3 306.351 2.081 20 5 DEBDHM C[C@@H]1SCC[C@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603956466 1070159533 /nfs/dbraw/zinc/15/95/33/1070159533.db2.gz QPFUDSHXOUBYJN-IONNQARKSA-N -1 3 306.351 2.081 20 5 DEBDHM CCO[C@@]1(C)C[C@H]1Nc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001604440456 1070391411 /nfs/dbraw/zinc/39/14/11/1070391411.db2.gz AYSRNMHWTCSXFL-OCCSQVGLSA-N -1 3 318.337 2.063 20 5 DEBDHM CCO[C@@]1(C)C[C@H]1Nc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001604440456 1070391426 /nfs/dbraw/zinc/39/14/26/1070391426.db2.gz AYSRNMHWTCSXFL-OCCSQVGLSA-N -1 3 318.337 2.063 20 5 DEBDHM CC[C@H](C)[C@H](NCc1c(F)cc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001605757818 1070900673 /nfs/dbraw/zinc/90/06/73/1070900673.db2.gz JPSCOXLMAVVPBS-MADCSZMMSA-N -1 3 302.277 2.462 20 5 DEBDHM CN(CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(C(=O)[O-])cn1 ZINC001606139007 1071048787 /nfs/dbraw/zinc/04/87/87/1071048787.db2.gz UTZBICPQFACCNB-UHFFFAOYSA-N -1 3 315.329 2.363 20 5 DEBDHM COC/C(C)=C\CN[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001606792966 1071215117 /nfs/dbraw/zinc/21/51/17/1071215117.db2.gz FROAOXNKVMSWFY-OCOPJHETSA-N -1 3 308.334 2.077 20 5 DEBDHM O=[N+]([O-])c1ccc(N[C@H]2C[C@@H]2c2cccnc2)c(-c2nnn[n-]2)c1 ZINC001607082907 1071291254 /nfs/dbraw/zinc/29/12/54/1071291254.db2.gz WROCUKRTMXZQQQ-RISCZKNCSA-N -1 3 323.316 2.138 20 5 DEBDHM O=[N+]([O-])c1ccc(N[C@H]2C[C@@H]2c2cccnc2)c(-c2nn[n-]n2)c1 ZINC001607082907 1071291265 /nfs/dbraw/zinc/29/12/65/1071291265.db2.gz WROCUKRTMXZQQQ-RISCZKNCSA-N -1 3 323.316 2.138 20 5 DEBDHM O=[N+]([O-])c1cc(F)ccc1COc1ccc(-c2nn[n-]n2)cc1 ZINC001607078472 1071288582 /nfs/dbraw/zinc/28/85/82/1071288582.db2.gz BSGFQPZBFMHNHN-UHFFFAOYSA-N -1 3 315.264 2.493 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC2CCC1CC2 ZINC001607079476 1071288633 /nfs/dbraw/zinc/28/86/33/1071288633.db2.gz LLTNANLLYKTYAO-UHFFFAOYSA-N -1 3 300.322 2.154 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC2CCC1CC2 ZINC001607079476 1071288635 /nfs/dbraw/zinc/28/86/35/1071288635.db2.gz LLTNANLLYKTYAO-UHFFFAOYSA-N -1 3 300.322 2.154 20 5 DEBDHM O=[N+]([O-])c1cnc(NCCC[C@H]2C=CCC2)c(-c2nnn[n-]2)c1 ZINC001607086995 1071293082 /nfs/dbraw/zinc/29/30/82/1071293082.db2.gz XCYAFOIGNJVZJJ-JTQLQIEISA-N -1 3 315.337 2.328 20 5 DEBDHM O=[N+]([O-])c1cnc(NCCC[C@H]2C=CCC2)c(-c2nn[n-]n2)c1 ZINC001607086995 1071293094 /nfs/dbraw/zinc/29/30/94/1071293094.db2.gz XCYAFOIGNJVZJJ-JTQLQIEISA-N -1 3 315.337 2.328 20 5 DEBDHM C[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1cnccn1 ZINC001452685910 1057129593 /nfs/dbraw/zinc/12/95/93/1057129593.db2.gz LHUFFSFZLHVFAO-SECBINFHSA-N -1 3 322.271 2.354 20 5 DEBDHM CCc1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1O ZINC001472183646 1060441097 /nfs/dbraw/zinc/44/10/97/1060441097.db2.gz YXRFHGJFGQGEMA-UHFFFAOYSA-N -1 3 303.274 2.216 20 5 DEBDHM Cn1ncc2c1nc(SCc1cccc([N+](=O)[O-])c1)[n-]c2=O ZINC001473059982 1060640167 /nfs/dbraw/zinc/64/01/67/1060640167.db2.gz YGQZSLGGNCDEDT-UHFFFAOYSA-N -1 3 317.330 2.269 20 5 DEBDHM CN(CCOc1ccc(F)cc1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001611747235 1078104991 /nfs/dbraw/zinc/10/49/91/1078104991.db2.gz GJFAPBZDYVFCSI-UHFFFAOYSA-N -1 3 307.281 2.350 20 5 DEBDHM CN(CC1CCCC1)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001579064568 1067228291 /nfs/dbraw/zinc/22/82/91/1067228291.db2.gz AYEDNDUMFNWQTG-UHFFFAOYSA-N -1 3 302.338 2.401 20 5 DEBDHM CN(CC1CCCC1)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001579064568 1067228301 /nfs/dbraw/zinc/22/83/01/1067228301.db2.gz AYEDNDUMFNWQTG-UHFFFAOYSA-N -1 3 302.338 2.401 20 5 DEBDHM C[C@@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC001639290880 1078605586 /nfs/dbraw/zinc/60/55/86/1078605586.db2.gz XGODZZYDURYZBK-SSDOTTSWSA-N -1 3 315.289 2.450 20 5 DEBDHM Cc1cccc(CO[N-]C(=O)Cc2cccc([N+](=O)[O-])c2)n1 ZINC001647931204 1074984524 /nfs/dbraw/zinc/98/45/24/1074984524.db2.gz UQTUCSCUFGFWCX-UHFFFAOYSA-N -1 3 301.302 2.089 20 5 DEBDHM CC(C)OC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)[n-]n1 ZINC001558558993 1075098976 /nfs/dbraw/zinc/09/89/76/1075098976.db2.gz IYKHUUPCDMKFQK-UHFFFAOYSA-N -1 3 318.289 2.135 20 5 DEBDHM CC(C)OC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)n[n-]1 ZINC001558558993 1075098978 /nfs/dbraw/zinc/09/89/78/1075098978.db2.gz IYKHUUPCDMKFQK-UHFFFAOYSA-N -1 3 318.289 2.135 20 5 DEBDHM O=c1[n-]c(C2CC2)nc2c1CN(c1ncc([N+](=O)[O-])cc1F)C2 ZINC001559270753 1075117589 /nfs/dbraw/zinc/11/75/89/1075117589.db2.gz CNCHJCBYEUGBDT-UHFFFAOYSA-N -1 3 317.280 2.022 20 5 DEBDHM CC(C)(C)CCNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001589127422 1076477408 /nfs/dbraw/zinc/47/74/08/1076477408.db2.gz PGCIAGPFTXKIOB-UHFFFAOYSA-N -1 3 305.342 2.205 20 5 DEBDHM CC(C)(C)CCNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001589127422 1076477411 /nfs/dbraw/zinc/47/74/11/1076477411.db2.gz PGCIAGPFTXKIOB-UHFFFAOYSA-N -1 3 305.342 2.205 20 5 DEBDHM C[C@@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCS1 ZINC001590205770 1076583523 /nfs/dbraw/zinc/58/35/23/1076583523.db2.gz FMYRZLBARYUXTN-SCZZXKLOSA-N -1 3 320.378 2.471 20 5 DEBDHM C[C@@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCS1 ZINC001590205770 1076583524 /nfs/dbraw/zinc/58/35/24/1076583524.db2.gz FMYRZLBARYUXTN-SCZZXKLOSA-N -1 3 320.378 2.471 20 5 DEBDHM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590220102 1076587916 /nfs/dbraw/zinc/58/79/16/1076587916.db2.gz RLLFNCCHTNTLQC-PKZYVASSSA-N -1 3 314.349 2.479 20 5 DEBDHM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590220102 1076587920 /nfs/dbraw/zinc/58/79/20/1076587920.db2.gz RLLFNCCHTNTLQC-PKZYVASSSA-N -1 3 314.349 2.479 20 5 DEBDHM C[C@@H]1SCC[C@@H]1Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590338686 1076613689 /nfs/dbraw/zinc/61/36/89/1076613689.db2.gz VMJPIYBGLHSZRL-XVKPBYJWSA-N -1 3 306.351 2.081 20 5 DEBDHM CC[C@@H](C)[C@@H](C)Nc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001590400733 1076620633 /nfs/dbraw/zinc/62/06/33/1076620633.db2.gz SHBKMCOXECQXEI-HTQZYQBOSA-N -1 3 305.342 2.204 20 5 DEBDHM CC[C@@H](C)[C@@H](C)Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001590400733 1076620634 /nfs/dbraw/zinc/62/06/34/1076620634.db2.gz SHBKMCOXECQXEI-HTQZYQBOSA-N -1 3 305.342 2.204 20 5 DEBDHM CC[C@H](C)CC(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590406837 1076622691 /nfs/dbraw/zinc/62/26/91/1076622691.db2.gz SERNRTMFRBVGDH-VIFPVBQESA-N -1 3 319.321 2.254 20 5 DEBDHM CC[C@H](C)CC(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590406837 1076622692 /nfs/dbraw/zinc/62/26/92/1076622692.db2.gz SERNRTMFRBVGDH-VIFPVBQESA-N -1 3 319.321 2.254 20 5 DEBDHM CCC[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)OCC ZINC001590558357 1076652401 /nfs/dbraw/zinc/65/24/01/1076652401.db2.gz PGHSCWNTJORHLW-NSHDSACASA-N -1 3 320.353 2.392 20 5 DEBDHM CCC[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)OCC ZINC001590558357 1076652405 /nfs/dbraw/zinc/65/24/05/1076652405.db2.gz PGHSCWNTJORHLW-NSHDSACASA-N -1 3 320.353 2.392 20 5 DEBDHM CCOC(C)(C)CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590780523 1076674974 /nfs/dbraw/zinc/67/49/74/1076674974.db2.gz JQIVLTZUNVUUIX-UHFFFAOYSA-N -1 3 324.316 2.141 20 5 DEBDHM CCOC(C)(C)CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590780523 1076674978 /nfs/dbraw/zinc/67/49/78/1076674978.db2.gz JQIVLTZUNVUUIX-UHFFFAOYSA-N -1 3 324.316 2.141 20 5 DEBDHM CN(Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])c1ccsc1 ZINC001591126349 1076709379 /nfs/dbraw/zinc/70/93/79/1076709379.db2.gz SGBNOSLMQDFWSP-UHFFFAOYSA-N -1 3 316.346 2.473 20 5 DEBDHM CN(Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])c1ccsc1 ZINC001591126349 1076709382 /nfs/dbraw/zinc/70/93/82/1076709382.db2.gz SGBNOSLMQDFWSP-UHFFFAOYSA-N -1 3 316.346 2.473 20 5 DEBDHM CO[C@H]1CCC[C@H]1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591362243 1076733240 /nfs/dbraw/zinc/73/32/40/1076733240.db2.gz QUAKWMIMHZQRIG-CABZTGNLSA-N -1 3 318.337 2.002 20 5 DEBDHM CO[C@H]1CCC[C@H]1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591362243 1076733241 /nfs/dbraw/zinc/73/32/41/1076733241.db2.gz QUAKWMIMHZQRIG-CABZTGNLSA-N -1 3 318.337 2.002 20 5 DEBDHM Cc1cc(NC[C@@H]2CCSC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592045740 1076837306 /nfs/dbraw/zinc/83/73/06/1076837306.db2.gz YMXQKARTFPMMCS-VIFPVBQESA-N -1 3 320.378 2.248 20 5 DEBDHM Cc1cc(NC[C@@H]2CCSC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592045740 1076837308 /nfs/dbraw/zinc/83/73/08/1076837308.db2.gz YMXQKARTFPMMCS-VIFPVBQESA-N -1 3 320.378 2.248 20 5 DEBDHM Cc1nc(Sc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[nH]c1C ZINC001592399818 1076909963 /nfs/dbraw/zinc/90/99/63/1076909963.db2.gz VHFRPURSTSKCEQ-UHFFFAOYSA-N -1 3 317.334 2.266 20 5 DEBDHM Cc1nc(Sc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[nH]c1C ZINC001592399818 1076909966 /nfs/dbraw/zinc/90/99/66/1076909966.db2.gz VHFRPURSTSKCEQ-UHFFFAOYSA-N -1 3 317.334 2.266 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC(F)(F)CC1 ZINC001593468428 1077005101 /nfs/dbraw/zinc/00/51/01/1077005101.db2.gz NCVFMOGTMXXARP-UHFFFAOYSA-N -1 3 310.264 2.010 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC(F)(F)CC1 ZINC001593468428 1077005104 /nfs/dbraw/zinc/00/51/04/1077005104.db2.gz NCVFMOGTMXXARP-UHFFFAOYSA-N -1 3 310.264 2.010 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@H]1C[C@H]1c1ccccc1 ZINC001593470404 1077007340 /nfs/dbraw/zinc/00/73/40/1077007340.db2.gz IKCWRMBNBSSVSJ-RYUDHWBXSA-N -1 3 323.316 2.138 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@H]1C[C@H]1c1ccccc1 ZINC001593470404 1077007343 /nfs/dbraw/zinc/00/73/43/1077007343.db2.gz IKCWRMBNBSSVSJ-RYUDHWBXSA-N -1 3 323.316 2.138 20 5 DEBDHM O=[N+]([O-])c1sccc1N1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001593488340 1077011794 /nfs/dbraw/zinc/01/17/94/1077011794.db2.gz JOQJVBGANZHEJC-UHFFFAOYSA-N -1 3 314.330 2.357 20 5 DEBDHM O=[N+]([O-])c1sccc1N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001593488340 1077011799 /nfs/dbraw/zinc/01/17/99/1077011799.db2.gz JOQJVBGANZHEJC-UHFFFAOYSA-N -1 3 314.330 2.357 20 5 DEBDHM C[C@@H]1[C@H](C)CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@H]1C ZINC001609175260 1077785619 /nfs/dbraw/zinc/78/56/19/1077785619.db2.gz LTOQFRFRPMFXSJ-BBBLOLIVSA-N -1 3 302.338 2.256 20 5 DEBDHM C[C@@H]1[C@H](C)CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@H]1C ZINC001609175260 1077785622 /nfs/dbraw/zinc/78/56/22/1077785622.db2.gz LTOQFRFRPMFXSJ-BBBLOLIVSA-N -1 3 302.338 2.256 20 5 DEBDHM CC[C@H](CSC)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609192063 1077792411 /nfs/dbraw/zinc/79/24/11/1077792411.db2.gz TTWGCBXFSKUGKH-MRVPVSSYSA-N -1 3 308.367 2.328 20 5 DEBDHM CCCCCC(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609208321 1077800471 /nfs/dbraw/zinc/80/04/71/1077800471.db2.gz QFHXKNSHYKUWAP-UHFFFAOYSA-N -1 3 319.321 2.398 20 5 DEBDHM CCCCCC(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609208321 1077800479 /nfs/dbraw/zinc/80/04/79/1077800479.db2.gz QFHXKNSHYKUWAP-UHFFFAOYSA-N -1 3 319.321 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Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000826250637 607644261 /nfs/dbraw/zinc/64/42/61/607644261.db2.gz KCBXGPNKMVPHAF-UHFFFAOYSA-N -1 3 324.300 2.336 20 5 DEBDHM COc1ccc([N+](=O)[O-])cc1CN[C@](C)(CNC(=O)[O-])C1CC1 ZINC000829515356 605168896 /nfs/dbraw/zinc/16/88/96/605168896.db2.gz HQYXWCORENENFL-OAHLLOKOSA-N -1 3 323.349 2.129 20 5 DEBDHM CSCC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821961964 606041108 /nfs/dbraw/zinc/04/11/08/606041108.db2.gz MUWQNPDPOMDION-SECBINFHSA-N -1 3 322.394 2.353 20 5 DEBDHM CSCC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821961964 606041113 /nfs/dbraw/zinc/04/11/13/606041113.db2.gz MUWQNPDPOMDION-SECBINFHSA-N -1 3 322.394 2.353 20 5 DEBDHM COCCC(C)(C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821685443 606422995 /nfs/dbraw/zinc/42/29/95/606422995.db2.gz CZGUYIULSGSRRC-UHFFFAOYSA-N -1 3 306.326 2.002 20 5 DEBDHM COCCC(C)(C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821685443 606422997 /nfs/dbraw/zinc/42/29/97/606422997.db2.gz CZGUYIULSGSRRC-UHFFFAOYSA-N -1 3 306.326 2.002 20 5 DEBDHM CC(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000820047172 606725735 /nfs/dbraw/zinc/72/57/35/606725735.db2.gz VYGPNKIJRLFCOD-NSHDSACASA-N -1 3 302.338 2.257 20 5 DEBDHM CC(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000820047172 606725736 /nfs/dbraw/zinc/72/57/36/606725736.db2.gz VYGPNKIJRLFCOD-NSHDSACASA-N -1 3 302.338 2.257 20 5 DEBDHM CN(C(=O)c1ccccc1[N+](=O)[O-])c1ccccc1-c1nnn[n-]1 ZINC000821574724 606973692 /nfs/dbraw/zinc/97/36/92/606973692.db2.gz UMJDIILINAGZSZ-UHFFFAOYSA-N -1 3 324.300 2.052 20 5 DEBDHM CN(C(=O)c1ccccc1[N+](=O)[O-])c1ccccc1-c1nn[n-]n1 ZINC000821574724 606973694 /nfs/dbraw/zinc/97/36/94/606973694.db2.gz UMJDIILINAGZSZ-UHFFFAOYSA-N -1 3 324.300 2.052 20 5 DEBDHM O=[N+]([O-])c1ncccc1Oc1ccc(-c2nnn[n-]2)cc1F ZINC000823651986 607129313 /nfs/dbraw/zinc/12/93/13/607129313.db2.gz UTKCKUWUMHRZBB-UHFFFAOYSA-N -1 3 302.225 2.101 20 5 DEBDHM O=[N+]([O-])c1ncccc1Oc1ccc(-c2nn[n-]n2)cc1F ZINC000823651986 607129314 /nfs/dbraw/zinc/12/93/14/607129314.db2.gz UTKCKUWUMHRZBB-UHFFFAOYSA-N -1 3 302.225 2.101 20 5 DEBDHM O=[N+]([O-])c1cnc(NCC23CCC(CC2)C3)c(-c2nnn[n-]2)c1 ZINC000826500759 607935527 /nfs/dbraw/zinc/93/55/27/607935527.db2.gz LHHAIBJVXZRASO-UHFFFAOYSA-N -1 3 315.337 2.162 20 5 DEBDHM O=[N+]([O-])c1cnc(NCC23CCC(CC2)C3)c(-c2nn[n-]n2)c1 ZINC000826500759 607935528 /nfs/dbraw/zinc/93/55/28/607935528.db2.gz LHHAIBJVXZRASO-UHFFFAOYSA-N -1 3 315.337 2.162 20 5 DEBDHM C[C@@H](Nc1ncccc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000824669680 608416494 /nfs/dbraw/zinc/41/64/94/608416494.db2.gz FKIDGDGBEKMBPF-SECBINFHSA-N -1 3 311.305 2.343 20 5 DEBDHM C[C@@H](Nc1ncccc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000824669680 608416496 /nfs/dbraw/zinc/41/64/96/608416496.db2.gz FKIDGDGBEKMBPF-SECBINFHSA-N -1 3 311.305 2.343 20 5 DEBDHM Cc1nonc1C(=O)[N-]c1cc([N+](=O)[O-])ccc1NC(C)C ZINC000836854824 650136761 /nfs/dbraw/zinc/13/67/61/650136761.db2.gz XRPMMPFYTNLJNI-UHFFFAOYSA-N -1 3 305.294 2.359 20 5 DEBDHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1[N+](=O)[O-] ZINC000837335783 650187110 /nfs/dbraw/zinc/18/71/10/650187110.db2.gz VEPSOKVZLIEXSM-UHFFFAOYSA-N -1 3 315.285 2.325 20 5 DEBDHM CCOc1cc(COC(=O)c2cncc([O-])c2)ccc1[N+](=O)[O-] ZINC000755548630 639562940 /nfs/dbraw/zinc/56/29/40/639562940.db2.gz MRHCXXRBKWSFPP-UHFFFAOYSA-N -1 3 318.285 2.451 20 5 DEBDHM O=C([N-]OC1CCOCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000775244021 642020324 /nfs/dbraw/zinc/02/03/24/642020324.db2.gz KLSLCOOPDVEMMU-UHFFFAOYSA-N -1 3 300.698 2.089 20 5 DEBDHM Cc1cc(N2CCN(C)C(C)(C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000910379371 645434030 /nfs/dbraw/zinc/43/40/30/645434030.db2.gz XTCCQSGSQAFPHR-UHFFFAOYSA-N -1 3 307.350 2.132 20 5 DEBDHM COC(=O)c1cc(C(=O)OCc2ccc([N+](=O)[O-])c(C)c2)c[n-]1 ZINC000816010885 647079227 /nfs/dbraw/zinc/07/92/27/647079227.db2.gz YZHNALKDIMHHDS-UHFFFAOYSA-N -1 3 318.285 2.375 20 5 DEBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)[N-]OCc1cccnc1 ZINC000153289799 647405734 /nfs/dbraw/zinc/40/57/34/647405734.db2.gz NGCIBHJQQKLYAP-UHFFFAOYSA-N -1 3 321.720 2.434 20 5 DEBDHM CC[C@@H](C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)N(CC)CC ZINC000828588041 649199108 /nfs/dbraw/zinc/19/91/08/649199108.db2.gz ZEVPXVPYSGWTJE-ZDUSSCGKSA-N -1 3 323.349 2.352 20 5 DEBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1cn(C2CC2)nn1 ZINC001436018743 1179014580 /nfs/dbraw/zinc/01/45/80/1179014580.db2.gz CBLYUQUHSWXZTH-UHFFFAOYSA-N -1 3 305.269 2.221 20 5 DEBDHM COc1cccc([O-])c1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001445042923 1183737689 /nfs/dbraw/zinc/73/76/89/1183737689.db2.gz DDAGOAZFGBFJKZ-UHFFFAOYSA-N -1 3 314.297 2.465 20 5 DEBDHM CSc1ccncc1[N-]C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001445259927 1183817788 /nfs/dbraw/zinc/81/77/88/1183817788.db2.gz PWSNYYCOLRDGMB-UHFFFAOYSA-N -1 3 313.726 2.341 20 5 DEBDHM CCCCC(=O)NCCN(CCC)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101082475 781052278 /nfs/dbraw/zinc/05/22/78/781052278.db2.gz KVDIRKKSGGQULV-UHFFFAOYSA-N -1 3 324.381 2.218 20 5 DEBDHM O=c1[nH][n-]cc1CCCNc1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001156279703 785126705 /nfs/dbraw/zinc/12/67/05/785126705.db2.gz UXLAFFYUOZUWLS-SNVBAGLBSA-N -1 3 313.317 2.067 20 5 DEBDHM CN(CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CCC1CC1 ZINC001109396156 785848601 /nfs/dbraw/zinc/84/86/01/785848601.db2.gz QSSYRKUZNCXAAD-UHFFFAOYSA-N -1 3 322.365 2.146 20 5 DEBDHM O=C(CCC1CCCC1)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093472108 792385179 /nfs/dbraw/zinc/38/51/79/792385179.db2.gz WJWNTIZVWLMDQK-UHFFFAOYSA-N -1 3 322.365 2.194 20 5 DEBDHM CCC(C)(C)CC(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094613370 793025128 /nfs/dbraw/zinc/02/51/28/793025128.db2.gz DOFXMLSRYWAMIU-UHFFFAOYSA-N -1 3 324.381 2.440 20 5 DEBDHM O=C(Nc1cnn(C2CCCC2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001178317212 794898228 /nfs/dbraw/zinc/89/82/28/794898228.db2.gz OEXRSXVPDWAJTJ-UHFFFAOYSA-N -1 3 317.305 2.259 20 5 DEBDHM Cc1cc(=O)[n-]c([C@H](C)N2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001116859691 794993534 /nfs/dbraw/zinc/99/35/34/794993534.db2.gz ALOMYDIQDXTWQK-JTQLQIEISA-N -1 3 300.318 2.476 20 5 DEBDHM O=c1[nH][n-]cc1CCCNc1nccc2cc([N+](=O)[O-])ccc21 ZINC001156286131 797966914 /nfs/dbraw/zinc/96/69/14/797966914.db2.gz YYPFKNZWWHWQQL-LLVKDONJSA-N -1 3 313.317 2.067 20 5 DEBDHM COc1cc(CNCc2cccc(O)c2)c([N+](=O)[O-])cc1[O-] ZINC001200067369 798579945 /nfs/dbraw/zinc/57/99/45/798579945.db2.gz FYTQCBFLCZGOJQ-UHFFFAOYSA-N -1 3 304.302 2.304 20 5 DEBDHM COc1ccc(C(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)nn1 ZINC000800149589 799323431 /nfs/dbraw/zinc/32/34/31/799323431.db2.gz UJNBQVGQLABOFL-UHFFFAOYSA-N -1 3 306.253 2.093 20 5 DEBDHM NC(=O)c1ccc(Nc2c(F)ccc([N+](=O)[O-])c2F)cc1[O-] ZINC001215302298 801831853 /nfs/dbraw/zinc/83/18/53/801831853.db2.gz RRXXRMULGNVFKC-UHFFFAOYSA-N -1 3 309.228 2.421 20 5 DEBDHM O=C1OCCC[C@H]1Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233501177 802135860 /nfs/dbraw/zinc/13/58/60/802135860.db2.gz XFPRMTDWJBSKFK-SNVBAGLBSA-N -1 3 311.681 2.209 20 5 DEBDHM CC[C@@H](Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1)C(=O)OC ZINC001233505749 802137663 /nfs/dbraw/zinc/13/76/63/802137663.db2.gz FQZMEIWUYKYSOA-SNVBAGLBSA-N -1 3 313.697 2.455 20 5 DEBDHM O=[N+]([O-])c1ccccc1N1CC[C@H](Oc2ccnc(=S)[n-]2)C1 ZINC001226942630 803179476 /nfs/dbraw/zinc/17/94/76/803179476.db2.gz NXFDDKYRMSZWAD-JTQLQIEISA-N -1 3 318.358 2.331 20 5 DEBDHM C[C@@H]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001576156985 949468737 /nfs/dbraw/zinc/46/87/37/949468737.db2.gz OOAKUCBMQLQMAF-BDAKNGLRSA-N -1 3 317.353 2.205 20 5 DEBDHM C[C@@H]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001576156985 949468747 /nfs/dbraw/zinc/46/87/47/949468747.db2.gz OOAKUCBMQLQMAF-BDAKNGLRSA-N -1 3 317.353 2.205 20 5 DEBDHM CCCN(CC(=O)[O-])Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001589669777 949927291 /nfs/dbraw/zinc/92/72/91/949927291.db2.gz GVRALZOIADVDSQ-UHFFFAOYSA-N -1 3 300.286 2.039 20 5 DEBDHM CCN(Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC001589736333 950537458 /nfs/dbraw/zinc/53/74/58/950537458.db2.gz OWQIEEDTKUNGHR-QMMMGPOBSA-N -1 3 300.286 2.038 20 5 DEBDHM C[C@](NCCC(F)(F)F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593262831 994556825 /nfs/dbraw/zinc/55/68/25/994556825.db2.gz XOHGTTSVOZRERR-LLVKDONJSA-N -1 3 306.240 2.437 20 5 DEBDHM C/C(=C/Cl)CSc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001602900348 1069788876 /nfs/dbraw/zinc/78/88/76/1069788876.db2.gz FHLVUICFZVWUIE-UTCJRWHESA-N -1 3 312.742 2.405 20 5 DEBDHM CC(C)(O)CCSCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603171103 1069899054 /nfs/dbraw/zinc/89/90/54/1069899054.db2.gz BMGMBXSBPCTHSY-UHFFFAOYSA-N -1 3 323.378 2.169 20 5 DEBDHM CC(C)(O)CCSCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603171103 1069899075 /nfs/dbraw/zinc/89/90/75/1069899075.db2.gz BMGMBXSBPCTHSY-UHFFFAOYSA-N -1 3 323.378 2.169 20 5 DEBDHM C[C@@H]1C[C@@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC001603861753 1070125793 /nfs/dbraw/zinc/12/57/93/1070125793.db2.gz NPUZGZJDYJPBJE-ILWJIGKKSA-N -1 3 318.337 2.143 20 5 DEBDHM C[C@@H]1C[C@@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC001603861753 1070125803 /nfs/dbraw/zinc/12/58/03/1070125803.db2.gz NPUZGZJDYJPBJE-ILWJIGKKSA-N -1 3 318.337 2.143 20 5 DEBDHM CN(C)Cc1cc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)no1 ZINC001526564060 1070309021 /nfs/dbraw/zinc/30/90/21/1070309021.db2.gz PMKKWBWIXKYTKE-UHFFFAOYSA-N -1 3 308.269 2.036 20 5 DEBDHM COC1(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCCC1 ZINC001605021263 1070575444 /nfs/dbraw/zinc/57/54/44/1070575444.db2.gz SLDYXYWMYPFPEF-UHFFFAOYSA-N -1 3 318.337 2.146 20 5 DEBDHM COCCC(C)(C)CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001605078512 1070605963 /nfs/dbraw/zinc/60/59/63/1070605963.db2.gz IBBYPAPIZTZVAE-UHFFFAOYSA-N -1 3 320.353 2.250 20 5 DEBDHM COCCC(C)(C)CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001605078512 1070605966 /nfs/dbraw/zinc/60/59/66/1070605966.db2.gz IBBYPAPIZTZVAE-UHFFFAOYSA-N -1 3 320.353 2.250 20 5 DEBDHM COc1cc(-c2nnn[n-]2)ccc1Oc1ncc([N+](=O)[O-])s1 ZINC001605188630 1070639408 /nfs/dbraw/zinc/63/94/08/1070639408.db2.gz KSZXSGKKPJQXMU-UHFFFAOYSA-N -1 3 320.290 2.032 20 5 DEBDHM COc1cc(-c2nn[n-]n2)ccc1Oc1ncc([N+](=O)[O-])s1 ZINC001605188630 1070639411 /nfs/dbraw/zinc/63/94/11/1070639411.db2.gz KSZXSGKKPJQXMU-UHFFFAOYSA-N -1 3 320.290 2.032 20 5 DEBDHM CSC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001605377641 1070694075 /nfs/dbraw/zinc/69/40/75/1070694075.db2.gz YEBALMGLFUGUQU-SNVBAGLBSA-N -1 3 320.378 2.107 20 5 DEBDHM CCN1CCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C[C@@H]1C ZINC001605481424 1070729726 /nfs/dbraw/zinc/72/97/26/1070729726.db2.gz APMBUTWGBPZRJP-NSHDSACASA-N -1 3 307.350 2.132 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N[C@H]1CC12CCC2 ZINC001607077690 1071288470 /nfs/dbraw/zinc/28/84/70/1071288470.db2.gz QKJDDNXXKYQBJG-NSHDSACASA-N -1 3 304.285 2.269 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N[C@H]1CC12CCC2 ZINC001607077690 1071288478 /nfs/dbraw/zinc/28/84/78/1071288478.db2.gz QKJDDNXXKYQBJG-NSHDSACASA-N -1 3 304.285 2.269 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1C[C@@H]2CCCC[C@@H]2C1 ZINC001607081564 1071289808 /nfs/dbraw/zinc/28/98/08/1071289808.db2.gz HBDGETXTJSGUPN-TXEJJXNPSA-N -1 3 314.349 2.401 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1C[C@@H]2CCCC[C@@H]2C1 ZINC001607081564 1071289825 /nfs/dbraw/zinc/28/98/25/1071289825.db2.gz HBDGETXTJSGUPN-TXEJJXNPSA-N -1 3 314.349 2.401 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CC(c2ccccc2)C1 ZINC001607083457 1071293208 /nfs/dbraw/zinc/29/32/08/1071293208.db2.gz GZZGDHQBDRWHFB-UHFFFAOYSA-N -1 3 322.328 2.379 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CC(c2ccccc2)C1 ZINC001607083457 1071293216 /nfs/dbraw/zinc/29/32/16/1071293216.db2.gz GZZGDHQBDRWHFB-UHFFFAOYSA-N -1 3 322.328 2.379 20 5 DEBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H]2CCN2C(C)(C)C)n1 ZINC001607589060 1071485810 /nfs/dbraw/zinc/48/58/10/1071485810.db2.gz DPANNROHISHXPR-JTQLQIEISA-N -1 3 322.365 2.281 20 5 DEBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)C2(C)CC2)c([N+](=O)[O-])s1 ZINC001622641961 1078192085 /nfs/dbraw/zinc/19/20/85/1078192085.db2.gz QZYDFEQFWPWTKB-QMMMGPOBSA-N -1 3 304.393 2.432 20 5 DEBDHM O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)Nc1ncccc1[O-] ZINC001624989557 1078235623 /nfs/dbraw/zinc/23/56/23/1078235623.db2.gz NYAUMRURMLBLGS-UHFFFAOYSA-N -1 3 315.285 2.297 20 5 DEBDHM CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2n[n-]nc21 ZINC001627385417 1078274863 /nfs/dbraw/zinc/27/48/63/1078274863.db2.gz MLDIBOWCJGVKCW-UHFFFAOYSA-N -1 3 312.289 2.160 20 5 DEBDHM CSc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)nc1 ZINC001627786861 1078283019 /nfs/dbraw/zinc/28/30/19/1078283019.db2.gz OZWAOVXJHLTESB-UHFFFAOYSA-N -1 3 306.303 2.065 20 5 DEBDHM Nc1ccccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000050654135 1078474843 /nfs/dbraw/zinc/47/48/43/1078474843.db2.gz ISCQQFQMVKBRPD-UHFFFAOYSA-N -1 3 311.294 2.117 20 5 DEBDHM O=c1[n-]ccc(NCCc2ccc3c(c2)OCO3)c1[N+](=O)[O-] ZINC001639200767 1078600616 /nfs/dbraw/zinc/60/06/16/1078600616.db2.gz OSDPDMLMRXSODE-UHFFFAOYSA-N -1 3 303.274 2.079 20 5 DEBDHM O=c1[n-]ccc(NCCOc2ncccc2Cl)c1[N+](=O)[O-] ZINC001639589964 1078619863 /nfs/dbraw/zinc/61/98/63/1078619863.db2.gz BJJDNAHRZQUCHT-UHFFFAOYSA-N -1 3 310.697 2.235 20 5 DEBDHM C[C@H](NC(=O)c1cccc2n[n-]nc21)c1ccc([N+](=O)[O-])cc1 ZINC001645267178 1078890265 /nfs/dbraw/zinc/89/02/65/1078890265.db2.gz MUZZNYZBLOSZQD-VIFPVBQESA-N -1 3 311.301 2.357 20 5 DEBDHM Cc1nc2c(cccc2NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)o1 ZINC001556594870 1075037311 /nfs/dbraw/zinc/03/73/11/1075037311.db2.gz KLVCNPUWGKJRFA-UHFFFAOYSA-N -1 3 314.257 2.397 20 5 DEBDHM Cc1cnc(NCc2ccc(-c3nnn[n-]3)s2)c([N+](=O)[O-])c1 ZINC001581320105 1076063653 /nfs/dbraw/zinc/06/36/53/1076063653.db2.gz DRBAIJBTPMEJIZ-UHFFFAOYSA-N -1 3 317.334 2.152 20 5 DEBDHM Nc1c([N+](=O)[O-])ccc(NCc2cccs2)c1-c1nnn[n-]1 ZINC001581909770 1076108919 /nfs/dbraw/zinc/10/89/19/1076108919.db2.gz TYPBRKGGGTVNRL-UHFFFAOYSA-N -1 3 317.334 2.031 20 5 DEBDHM Nc1c([N+](=O)[O-])ccc(NCc2cccs2)c1-c1nn[n-]n1 ZINC001581909770 1076108924 /nfs/dbraw/zinc/10/89/24/1076108924.db2.gz TYPBRKGGGTVNRL-UHFFFAOYSA-N -1 3 317.334 2.031 20 5 DEBDHM CC(C)[C@@H]1C[C@H]1CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001589763432 1076510888 /nfs/dbraw/zinc/51/08/88/1076510888.db2.gz LQCHPGXEJVQQAO-IUCAKERBSA-N -1 3 317.353 2.061 20 5 DEBDHM CC(C)[C@@H]1C[C@H]1CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001589763432 1076510890 /nfs/dbraw/zinc/51/08/90/1076510890.db2.gz LQCHPGXEJVQQAO-IUCAKERBSA-N -1 3 317.353 2.061 20 5 DEBDHM C[C@]1(F)CCCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001590142304 1076573671 /nfs/dbraw/zinc/57/36/71/1076573671.db2.gz XCAMLLITYMKKNE-ZDUSSCGKSA-N -1 3 306.301 2.103 20 5 DEBDHM C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCS1 ZINC001590210538 1076584622 /nfs/dbraw/zinc/58/46/22/1076584622.db2.gz YAKXHMYZUWEBRV-DTWKUNHWSA-N -1 3 320.378 2.471 20 5 DEBDHM C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCS1 ZINC001590210538 1076584626 /nfs/dbraw/zinc/58/46/26/1076584626.db2.gz YAKXHMYZUWEBRV-DTWKUNHWSA-N -1 3 320.378 2.471 20 5 DEBDHM CCSC1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001590850925 1076684281 /nfs/dbraw/zinc/68/42/81/1076684281.db2.gz QSNZOLOHYHXBNH-UHFFFAOYSA-N -1 3 320.378 2.473 20 5 DEBDHM CCSC1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001590850925 1076684284 /nfs/dbraw/zinc/68/42/84/1076684284.db2.gz QSNZOLOHYHXBNH-UHFFFAOYSA-N -1 3 320.378 2.473 20 5 DEBDHM CN(Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591147582 1076713906 /nfs/dbraw/zinc/71/39/06/1076713906.db2.gz BFJCCRHMSOREJX-UHFFFAOYSA-N -1 3 310.317 2.411 20 5 DEBDHM CN(Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591147582 1076713909 /nfs/dbraw/zinc/71/39/09/1076713909.db2.gz BFJCCRHMSOREJX-UHFFFAOYSA-N -1 3 310.317 2.411 20 5 DEBDHM CS[C@H]1CC[C@@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001591689021 1076771803 /nfs/dbraw/zinc/77/18/03/1076771803.db2.gz AUCHWABWGZWXNA-ZJUUUORDSA-N -1 3 320.378 2.471 20 5 DEBDHM CS[C@H]1CC[C@@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001591689021 1076771807 /nfs/dbraw/zinc/77/18/07/1076771807.db2.gz AUCHWABWGZWXNA-ZJUUUORDSA-N -1 3 320.378 2.471 20 5 DEBDHM C[C@H]1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001591772254 1076783028 /nfs/dbraw/zinc/78/30/28/1076783028.db2.gz MLPUOXSWKDLJKJ-CZMCAQCFSA-N -1 3 303.326 2.161 20 5 DEBDHM C[C@H]1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001591772254 1076783029 /nfs/dbraw/zinc/78/30/29/1076783029.db2.gz MLPUOXSWKDLJKJ-CZMCAQCFSA-N -1 3 303.326 2.161 20 5 DEBDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001592100540 1076848020 /nfs/dbraw/zinc/84/80/20/1076848020.db2.gz QRWBJWZDBSHEML-UHFFFAOYSA-N -1 3 324.300 2.336 20 5 DEBDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001592100540 1076848028 /nfs/dbraw/zinc/84/80/28/1076848028.db2.gz QRWBJWZDBSHEML-UHFFFAOYSA-N -1 3 324.300 2.336 20 5 DEBDHM O=[N+]([O-])c1cc(NC[C@@H]2CCCSC2)ccc1-c1nnn[n-]1 ZINC001593473486 1077006860 /nfs/dbraw/zinc/00/68/60/1077006860.db2.gz FCYHEOZZPSDUMS-VIFPVBQESA-N -1 3 320.378 2.330 20 5 DEBDHM O=[N+]([O-])c1ccc(N2CCC(F)(F)CC2)c(-c2nnn[n-]2)c1 ZINC001593476741 1077008718 /nfs/dbraw/zinc/00/87/18/1077008718.db2.gz XKPHEZBXVRBXQN-UHFFFAOYSA-N -1 3 310.264 2.010 20 5 DEBDHM O=[N+]([O-])c1ccc(N2CCC(F)(F)CC2)c(-c2nn[n-]n2)c1 ZINC001593476741 1077008722 /nfs/dbraw/zinc/00/87/22/1077008722.db2.gz XKPHEZBXVRBXQN-UHFFFAOYSA-N -1 3 310.264 2.010 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1Cc2ccccc2C1 ZINC001593475422 1077008732 /nfs/dbraw/zinc/00/87/32/1077008732.db2.gz PFAZLBHOIJKLKX-UHFFFAOYSA-N -1 3 308.301 2.295 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1Cc2ccccc2C1 ZINC001593475422 1077008738 /nfs/dbraw/zinc/00/87/38/1077008738.db2.gz PFAZLBHOIJKLKX-UHFFFAOYSA-N -1 3 308.301 2.295 20 5 DEBDHM CC(C)[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609090950 1077759086 /nfs/dbraw/zinc/75/90/86/1077759086.db2.gz AVUYYVVTWUIZNC-NSHDSACASA-N -1 3 302.338 2.400 20 5 DEBDHM CC(C)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609090950 1077759089 /nfs/dbraw/zinc/75/90/89/1077759089.db2.gz AVUYYVVTWUIZNC-NSHDSACASA-N -1 3 302.338 2.400 20 5 DEBDHM C[C@@H]1C[C@@H](CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H](C)O1 ZINC001609156054 1077776277 /nfs/dbraw/zinc/77/62/77/1077776277.db2.gz BDTJKURSKYYHRJ-YWVKMMECSA-N -1 3 318.337 2.000 20 5 DEBDHM C[C@@H]1C[C@@H](CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@H](C)O1 ZINC001609156054 1077776281 /nfs/dbraw/zinc/77/62/81/1077776281.db2.gz BDTJKURSKYYHRJ-YWVKMMECSA-N -1 3 318.337 2.000 20 5 DEBDHM C[C@@H]1[C@@H](C)CCCN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609166920 1077782670 /nfs/dbraw/zinc/78/26/70/1077782670.db2.gz KAWBCHZMJUETMD-VHSXEESVSA-N -1 3 302.338 2.400 20 5 DEBDHM C[C@H]1CCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCS1 ZINC001609168862 1077783847 /nfs/dbraw/zinc/78/38/47/1077783847.db2.gz PMUWWQXEGYIPDA-VIFPVBQESA-N -1 3 320.378 2.107 20 5 DEBDHM C[C@H]1CCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCS1 ZINC001609168862 1077783851 /nfs/dbraw/zinc/78/38/51/1077783851.db2.gz PMUWWQXEGYIPDA-VIFPVBQESA-N -1 3 320.378 2.107 20 5 DEBDHM CC[C@@H]1[C@@H](C)CCN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609198552 1077794653 /nfs/dbraw/zinc/79/46/53/1077794653.db2.gz DDCZKAJMZQSUBI-JOYOIKCWSA-N -1 3 302.338 2.400 20 5 DEBDHM COCC(C)(C)CNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609316408 1077831239 /nfs/dbraw/zinc/83/12/39/1077831239.db2.gz XUBBPLDMJXDXQC-UHFFFAOYSA-N -1 3 320.353 2.168 20 5 DEBDHM COCC(C)(C)CNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609316408 1077831245 /nfs/dbraw/zinc/83/12/45/1077831245.db2.gz XUBBPLDMJXDXQC-UHFFFAOYSA-N -1 3 320.353 2.168 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@@H]1CCCC1(F)F ZINC001609602643 1077882269 /nfs/dbraw/zinc/88/22/69/1077882269.db2.gz BACXXJPVHCDGGL-SECBINFHSA-N -1 3 310.264 2.375 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@@H]1CCCC1(F)F ZINC001609602643 1077882272 /nfs/dbraw/zinc/88/22/72/1077882272.db2.gz BACXXJPVHCDGGL-SECBINFHSA-N -1 3 310.264 2.375 20 5 DEBDHM CCCC(=O)NCCC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001089887468 1080540031 /nfs/dbraw/zinc/54/00/31/1080540031.db2.gz ZHHNJLSVWKKCBX-UHFFFAOYSA-N -1 3 322.365 2.194 20 5 DEBDHM CC(C)=CC[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001662776843 1080653541 /nfs/dbraw/zinc/65/35/41/1080653541.db2.gz FBCIDEBPCVAYLV-UHFFFAOYSA-N -1 3 302.327 2.287 20 5 DEBDHM O=c1[n-]cnc(O[C@@H](C[N+](=O)[O-])C2CC2)c1-c1ccccc1 ZINC001234690198 1084197281 /nfs/dbraw/zinc/19/72/81/1084197281.db2.gz ACOQBFKMCFKNHE-LBPRGKRZSA-N -1 3 301.302 2.283 20 5 DEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C/C=C/C1CC1 ZINC001324939256 1091750005 /nfs/dbraw/zinc/75/00/05/1091750005.db2.gz GBJXKHAXEAHNTA-OWOJBTEDSA-N -1 3 316.766 2.493 20 5 DEBDHM C[C@H](Nc1ncccc1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001307219462 1139829237 /nfs/dbraw/zinc/82/92/37/1139829237.db2.gz NLXQBUVMODMEMH-YFKPBYRVSA-N -1 3 302.216 2.300 20 5 DEBDHM Cc1nc[n-]c(=O)c1CCC(=O)OCc1cccc([N+](=O)[O-])c1 ZINC001321621342 1141317953 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DEBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CC(C)C ZINC001106662562 782835958 /nfs/dbraw/zinc/83/59/58/782835958.db2.gz VCASFTLDTUOOPQ-UHFFFAOYSA-N -1 3 310.354 2.002 20 5 DEBDHM O=[N+]([O-])c1cc2c(cc1F)ncnc2NCc1ncccc1[O-] ZINC001169731361 785343080 /nfs/dbraw/zinc/34/30/80/785343080.db2.gz CEPKUZVUDPMXMW-UHFFFAOYSA-N -1 3 315.264 2.390 20 5 DEBDHM CCCC(=O)N1CCC(C)(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001067232009 787304212 /nfs/dbraw/zinc/30/42/12/787304212.db2.gz OWRAAVJWJRVPEG-UHFFFAOYSA-N -1 3 322.365 2.289 20 5 DEBDHM CC/C(C)=C/C(=O)N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001097024965 787950466 /nfs/dbraw/zinc/95/04/66/787950466.db2.gz KLAAEEWBPUISSA-GSSJIIMVSA-N -1 3 320.349 2.111 20 5 DEBDHM CC/C(C)=C\C(=O)N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001097024966 787950754 /nfs/dbraw/zinc/95/07/54/787950754.db2.gz KLAAEEWBPUISSA-WNECMXKASA-N -1 3 320.349 2.111 20 5 DEBDHM CCCC(=O)NC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC001103389735 794068184 /nfs/dbraw/zinc/06/81/84/794068184.db2.gz KWPRZSSTJBTWEY-UHFFFAOYSA-N -1 3 322.365 2.336 20 5 DEBDHM CC(C)OC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])s2)[n-]n1 ZINC001179075540 795059471 /nfs/dbraw/zinc/05/94/71/795059471.db2.gz DPZRHLIPRWYDGU-UHFFFAOYSA-N -1 3 324.318 2.197 20 5 DEBDHM O=c1[n-]c(C2CC2)nc2c1CN(Cc1cccc([N+](=O)[O-])c1)C2 ZINC001197469602 798191473 /nfs/dbraw/zinc/19/14/73/798191473.db2.gz ZTVLXGUMJMRKRE-UHFFFAOYSA-N -1 3 312.329 2.484 20 5 DEBDHM NCc1nccnc1[N-]c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001160250311 798666741 /nfs/dbraw/zinc/66/67/41/798666741.db2.gz MEQLGFFDWBMMSC-UHFFFAOYSA-N -1 3 323.316 2.044 20 5 DEBDHM C[C@@H](NC(=O)c1c([O-])cccc1O)c1ccc([N+](=O)[O-])cc1 ZINC001161790210 798937271 /nfs/dbraw/zinc/93/72/71/798937271.db2.gz ADMGJTHYRNYINT-SECBINFHSA-N -1 3 302.286 2.497 20 5 DEBDHM Cc1ncc(Nc2nc(Cl)cc(Cl)c2[N+](=O)[O-])c(=O)[n-]1 ZINC001162300800 799054480 /nfs/dbraw/zinc/05/44/80/799054480.db2.gz LUEIRUQAHIJYIN-LURJTMIESA-N -1 3 316.104 2.107 20 5 DEBDHM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1ccc2c([O-])coc2c1 ZINC001225343464 802956265 /nfs/dbraw/zinc/95/62/65/802956265.db2.gz XOEZYQRHEXMRRP-VIFPVBQESA-N -1 3 317.301 2.142 20 5 DEBDHM CCOC(=O)[C@H](CC(C)C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227691518 803267463 /nfs/dbraw/zinc/26/74/63/803267463.db2.gz PBYFAFYBTQWKJA-JTQLQIEISA-N -1 3 322.321 2.223 20 5 DEBDHM COc1cc([N+](=O)[O-])ccc1CN1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC001594067558 958150872 /nfs/dbraw/zinc/15/08/72/958150872.db2.gz BZWBXZFKSVDAKV-ZWNOBZJWSA-N -1 3 308.334 2.431 20 5 DEBDHM CCC[C@@H](C)[C@@H](CO)NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001595572248 981483482 /nfs/dbraw/zinc/48/34/82/981483482.db2.gz NJCLDAIFAHQAST-ZWNOBZJWSA-N -1 3 310.350 2.180 20 5 DEBDHM CC[C@](C)(CC(=O)[O-])[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC001594825851 981987441 /nfs/dbraw/zinc/98/74/41/981987441.db2.gz VZUVDWDRYSSEST-CQSZACIVSA-N -1 3 312.322 2.042 20 5 DEBDHM C[C@H](C(=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCC1 ZINC001603198871 1069907731 /nfs/dbraw/zinc/90/77/31/1069907731.db2.gz PHSOTGLCMZFICL-SECBINFHSA-N -1 3 323.305 2.331 20 5 DEBDHM CC[C@H]1[C@H](C)CCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604096322 1070212517 /nfs/dbraw/zinc/21/25/17/1070212517.db2.gz HBFSLDRBTDKKBA-KOLCDFICSA-N -1 3 302.338 2.400 20 5 DEBDHM CC[C@H]1[C@H](C)CCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604096322 1070212527 /nfs/dbraw/zinc/21/25/27/1070212527.db2.gz HBFSLDRBTDKKBA-KOLCDFICSA-N -1 3 302.338 2.400 20 5 DEBDHM Cn1c2ccc([N+](=O)[O-])cc2nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001606203910 1071079993 /nfs/dbraw/zinc/07/99/93/1071079993.db2.gz XLQGBAIDRMGVIX-UHFFFAOYSA-N -1 3 321.300 2.329 20 5 DEBDHM Cn1c2ccc([N+](=O)[O-])cc2nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001606203910 1071080007 /nfs/dbraw/zinc/08/00/07/1071080007.db2.gz XLQGBAIDRMGVIX-UHFFFAOYSA-N -1 3 321.300 2.329 20 5 DEBDHM Nc1c([N+](=O)[O-])ccc(NCCC2CC=CC2)c1-c1nnn[n-]1 ZINC001606450951 1071147885 /nfs/dbraw/zinc/14/78/85/1071147885.db2.gz BPKVBCMSBMLTRC-UHFFFAOYSA-N -1 3 315.337 2.125 20 5 DEBDHM Nc1c([N+](=O)[O-])ccc(NCCC2CC=CC2)c1-c1nn[n-]n1 ZINC001606450951 1071147892 /nfs/dbraw/zinc/14/78/92/1071147892.db2.gz BPKVBCMSBMLTRC-UHFFFAOYSA-N -1 3 315.337 2.125 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N[C@@H]1CC=CCC1 ZINC001607078023 1071288738 /nfs/dbraw/zinc/28/87/38/1071288738.db2.gz XUOADUQBNMLBGI-MRVPVSSYSA-N -1 3 304.285 2.435 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N[C@@H]1CC=CCC1 ZINC001607078023 1071288742 /nfs/dbraw/zinc/28/87/42/1071288742.db2.gz XUOADUQBNMLBGI-MRVPVSSYSA-N -1 3 304.285 2.435 20 5 DEBDHM O=C([N-]Oc1ccccc1F)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001455474979 1057719545 /nfs/dbraw/zinc/71/95/45/1057719545.db2.gz FEEHOQLNQBSFIB-UHFFFAOYSA-N -1 3 320.232 2.186 20 5 DEBDHM CC(=O)c1ccc(N2CC[C@H](c3cc(=O)[nH][n-]3)C2)c([N+](=O)[O-])c1 ZINC001472821515 1060591167 /nfs/dbraw/zinc/59/11/67/1060591167.db2.gz MXFZGQDWVOXGFD-NSHDSACASA-N -1 3 316.317 2.220 20 5 DEBDHM Cc1cc(S(=O)(=O)[N-]CC2CC=CC2)c(F)cc1[N+](=O)[O-] ZINC001475502729 1061009578 /nfs/dbraw/zinc/00/95/78/1061009578.db2.gz NMOINVDVRNVOGK-UHFFFAOYSA-N -1 3 314.338 2.287 20 5 DEBDHM O=c1[n-]ccc(NCCc2nc3cc(F)ccc3[nH]2)c1[N+](=O)[O-] ZINC001642374217 1078751768 /nfs/dbraw/zinc/75/17/68/1078751768.db2.gz OVBDZRRRIKXVMC-UHFFFAOYSA-N -1 3 317.280 2.365 20 5 DEBDHM CN(CCOc1ccccc1F)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001649446731 1079123263 /nfs/dbraw/zinc/12/32/63/1079123263.db2.gz NLTIZQKXLDLFBW-UHFFFAOYSA-N -1 3 307.281 2.350 20 5 DEBDHM O=C(Nc1ccc2c(c1)CCOC2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001557517975 1075067424 /nfs/dbraw/zinc/06/74/24/1075067424.db2.gz KZRZANSKQTXHTJ-UHFFFAOYSA-N -1 3 315.285 2.020 20 5 DEBDHM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc2c(s1)CNCC2 ZINC001580761502 1075988132 /nfs/dbraw/zinc/98/81/32/1075988132.db2.gz SRDSSUOXJFWQLV-UHFFFAOYSA-N -1 3 319.342 2.260 20 5 DEBDHM O=[N+]([O-])c1ccc(N[C@H]2CCC[C@@H]3C[C@@H]32)c(-c2nnn[n-]2)c1 ZINC001582804276 1076185166 /nfs/dbraw/zinc/18/51/66/1076185166.db2.gz PLJFYYKYBLTZOT-QRTLGDNMSA-N -1 3 300.322 2.375 20 5 DEBDHM O=[N+]([O-])c1ccc(N[C@H]2CCC[C@@H]3C[C@@H]32)c(-c2nn[n-]n2)c1 ZINC001582804276 1076185170 /nfs/dbraw/zinc/18/51/70/1076185170.db2.gz PLJFYYKYBLTZOT-QRTLGDNMSA-N -1 3 300.322 2.375 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1Oc1cccnc1F ZINC001582803657 1076185262 /nfs/dbraw/zinc/18/52/62/1076185262.db2.gz PILRFQQYFLPSCR-UHFFFAOYSA-N -1 3 320.215 2.240 20 5 DEBDHM CC(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001589509777 1076494794 /nfs/dbraw/zinc/49/47/94/1076494794.db2.gz VJHNFRQVNFPHEX-JTQLQIEISA-N -1 3 302.338 2.257 20 5 DEBDHM C[C@]1(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCCS1 ZINC001590133807 1076570571 /nfs/dbraw/zinc/57/05/71/1076570571.db2.gz GYMYTZCJOJWEHN-CYBMUJFWSA-N -1 3 320.378 2.473 20 5 DEBDHM CC1=C[C@@H](C)CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001590158061 1076575744 /nfs/dbraw/zinc/57/57/44/1076575744.db2.gz UIOMVPROWZVUAQ-SECBINFHSA-N -1 3 300.322 2.177 20 5 DEBDHM C[C@@H]1C[C@@H](CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])[C@H](C)O1 ZINC001590192019 1076581447 /nfs/dbraw/zinc/58/14/47/1076581447.db2.gz ADERKQBCXPAFFH-UTLUCORTSA-N -1 3 318.337 2.000 20 5 DEBDHM C[C@@H]1C[C@@H](CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])[C@H](C)O1 ZINC001590192019 1076581450 /nfs/dbraw/zinc/58/14/50/1076581450.db2.gz ADERKQBCXPAFFH-UTLUCORTSA-N -1 3 318.337 2.000 20 5 DEBDHM C[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCS1 ZINC001590205919 1076582239 /nfs/dbraw/zinc/58/22/39/1076582239.db2.gz FMYRZLBARYUXTN-WCBMZHEXSA-N -1 3 320.378 2.471 20 5 DEBDHM C[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCS1 ZINC001590205919 1076582243 /nfs/dbraw/zinc/58/22/43/1076582243.db2.gz FMYRZLBARYUXTN-WCBMZHEXSA-N -1 3 320.378 2.471 20 5 DEBDHM C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCS1 ZINC001590210535 1076583855 /nfs/dbraw/zinc/58/38/55/1076583855.db2.gz YAKXHMYZUWEBRV-BDAKNGLRSA-N -1 3 320.378 2.471 20 5 DEBDHM C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCS1 ZINC001590210535 1076583858 /nfs/dbraw/zinc/58/38/58/1076583858.db2.gz YAKXHMYZUWEBRV-BDAKNGLRSA-N -1 3 320.378 2.471 20 5 DEBDHM C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCS1 ZINC001590274048 1076605813 /nfs/dbraw/zinc/60/58/13/1076605813.db2.gz FRRLVIXJUARDFK-VIFPVBQESA-N -1 3 320.378 2.107 20 5 DEBDHM C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCS1 ZINC001590274048 1076605814 /nfs/dbraw/zinc/60/58/14/1076605814.db2.gz FRRLVIXJUARDFK-VIFPVBQESA-N -1 3 320.378 2.107 20 5 DEBDHM CC[C@@H](C)C[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590406392 1076621595 /nfs/dbraw/zinc/62/15/95/1076621595.db2.gz NEEFOCIFSSQPGR-BDAKNGLRSA-N -1 3 305.342 2.407 20 5 DEBDHM CC[C@@H](C)C[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590406392 1076621597 /nfs/dbraw/zinc/62/15/97/1076621597.db2.gz NEEFOCIFSSQPGR-BDAKNGLRSA-N -1 3 305.342 2.407 20 5 DEBDHM CCC(CC)C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590430420 1076626388 /nfs/dbraw/zinc/62/63/88/1076626388.db2.gz 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Cc1cc(NC[C@@H]2C=CCC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592043427 1076836669 /nfs/dbraw/zinc/83/66/69/1076836669.db2.gz GFDWTLWGIFGXPS-SNVBAGLBSA-N -1 3 300.322 2.461 20 5 DEBDHM Cc1cc(NC[C@@H]2C=CCC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592043427 1076836671 /nfs/dbraw/zinc/83/66/71/1076836671.db2.gz GFDWTLWGIFGXPS-SNVBAGLBSA-N -1 3 300.322 2.461 20 5 DEBDHM Cc1ccccc1CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592256475 1076884483 /nfs/dbraw/zinc/88/44/83/1076884483.db2.gz CQYCVTCCPCNWEU-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1ccccc1CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592256475 1076884487 /nfs/dbraw/zinc/88/44/87/1076884487.db2.gz CQYCVTCCPCNWEU-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1coc(Sc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])n1 ZINC001592307648 1076894575 /nfs/dbraw/zinc/89/45/75/1076894575.db2.gz JXRWNSPGHAKXFI-UHFFFAOYSA-N -1 3 304.291 2.223 20 5 DEBDHM Cc1coc(Sc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])n1 ZINC001592307648 1076894580 /nfs/dbraw/zinc/89/45/80/1076894580.db2.gz JXRWNSPGHAKXFI-UHFFFAOYSA-N -1 3 304.291 2.223 20 5 DEBDHM Nc1c([N+](=O)[O-])ccc(NCCC2(F)CCC2)c1-c1nnn[n-]1 ZINC001592756986 1076957596 /nfs/dbraw/zinc/95/75/96/1076957596.db2.gz GCFXFQYXOSOXOI-UHFFFAOYSA-N -1 3 321.316 2.051 20 5 DEBDHM Nc1c([N+](=O)[O-])ccc(NCCC2(F)CCC2)c1-c1nn[n-]n1 ZINC001592756986 1076957599 /nfs/dbraw/zinc/95/75/99/1076957599.db2.gz GCFXFQYXOSOXOI-UHFFFAOYSA-N -1 3 321.316 2.051 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@H](CCF)C1 ZINC001593469164 1077005654 /nfs/dbraw/zinc/00/56/54/1077005654.db2.gz YXYCAYKIPDZDSM-SNVBAGLBSA-N -1 3 320.328 2.351 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@H](CCF)C1 ZINC001593469164 1077005660 /nfs/dbraw/zinc/00/56/60/1077005660.db2.gz YXYCAYKIPDZDSM-SNVBAGLBSA-N -1 3 320.328 2.351 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NC/C=C/C1CC1 ZINC001593469201 1077006401 /nfs/dbraw/zinc/00/64/01/1077006401.db2.gz SSSUHENGAFBZAA-OWOJBTEDSA-N -1 3 304.285 2.292 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NC/C=C/C1CC1 ZINC001593469201 1077006405 /nfs/dbraw/zinc/00/64/05/1077006405.db2.gz SSSUHENGAFBZAA-OWOJBTEDSA-N -1 3 304.285 2.292 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CC[C@H](C2CCC2)C1 ZINC001593476431 1077008238 /nfs/dbraw/zinc/00/82/38/1077008238.db2.gz VIHBGILWDNUFCI-LBPRGKRZSA-N -1 3 314.349 2.401 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CC[C@H](C2CCC2)C1 ZINC001593476431 1077008242 /nfs/dbraw/zinc/00/82/42/1077008242.db2.gz VIHBGILWDNUFCI-LBPRGKRZSA-N -1 3 314.349 2.401 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCc1cccs1 ZINC001593482564 1077009492 /nfs/dbraw/zinc/00/94/92/1077009492.db2.gz DRMLIKCMSQPURA-UHFFFAOYSA-N -1 3 302.319 2.449 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCc1cccs1 ZINC001593482564 1077009496 /nfs/dbraw/zinc/00/94/96/1077009496.db2.gz DRMLIKCMSQPURA-UHFFFAOYSA-N -1 3 302.319 2.449 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC1CCSCC1 ZINC001593482030 1077009824 /nfs/dbraw/zinc/00/98/24/1077009824.db2.gz VQQRFVJZHLUFQB-UHFFFAOYSA-N -1 3 306.351 2.082 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC1CCSCC1 ZINC001593482030 1077009827 /nfs/dbraw/zinc/00/98/27/1077009827.db2.gz VQQRFVJZHLUFQB-UHFFFAOYSA-N -1 3 306.351 2.082 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@@H]1CCCSC1 ZINC001593482365 1077010118 /nfs/dbraw/zinc/01/01/18/1077010118.db2.gz ZBHHIMDBAOTRJP-MRVPVSSYSA-N -1 3 306.351 2.082 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@@H]1CCCSC1 ZINC001593482365 1077010124 /nfs/dbraw/zinc/01/01/24/1077010124.db2.gz ZBHHIMDBAOTRJP-MRVPVSSYSA-N -1 3 306.351 2.082 20 5 DEBDHM O=C([O-])[C@]12CCC[C@H]1CN(Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC001602222266 1077529064 /nfs/dbraw/zinc/52/90/64/1077529064.db2.gz QAEYWXFGHOGZOZ-BONVTDFDSA-N -1 3 308.309 2.421 20 5 DEBDHM CC1(CC(F)F)CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001609148525 1077773876 /nfs/dbraw/zinc/77/38/76/1077773876.db2.gz AKXPWZBAGUPRPD-UHFFFAOYSA-N -1 3 324.291 2.256 20 5 DEBDHM CC1(CC(F)F)CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001609148525 1077773881 /nfs/dbraw/zinc/77/38/81/1077773881.db2.gz AKXPWZBAGUPRPD-UHFFFAOYSA-N -1 3 324.291 2.256 20 5 DEBDHM C[C@@H]1CCSCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609169023 1077784297 /nfs/dbraw/zinc/78/42/97/1077784297.db2.gz AWGKJNYHTAHAAY-SECBINFHSA-N -1 3 320.378 2.107 20 5 DEBDHM C[C@@H]1CCSCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609169023 1077784300 /nfs/dbraw/zinc/78/43/00/1077784300.db2.gz AWGKJNYHTAHAAY-SECBINFHSA-N -1 3 320.378 2.107 20 5 DEBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CC(C)(C)C1 ZINC001609281586 1077824321 /nfs/dbraw/zinc/82/43/21/1077824321.db2.gz OLVSYACJDVCGJS-UHFFFAOYSA-N -1 3 302.338 2.400 20 5 DEBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CC(C)(C)C1 ZINC001609281586 1077824326 /nfs/dbraw/zinc/82/43/26/1077824326.db2.gz OLVSYACJDVCGJS-UHFFFAOYSA-N -1 3 302.338 2.400 20 5 DEBDHM CN(Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC001609280273 1077824961 /nfs/dbraw/zinc/82/49/61/1077824961.db2.gz NKZRWXPRKXUWIL-UHFFFAOYSA-N -1 3 310.317 2.411 20 5 DEBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC001609280273 1077824966 /nfs/dbraw/zinc/82/49/66/1077824966.db2.gz NKZRWXPRKXUWIL-UHFFFAOYSA-N -1 3 310.317 2.411 20 5 DEBDHM C[C@@H](CF)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001609374806 1077843783 /nfs/dbraw/zinc/84/37/83/1077843783.db2.gz YYTMHMGIXNNPPS-ZETCQYMHSA-N -1 3 317.284 2.093 20 5 DEBDHM C[C@@H](CF)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001609374806 1077843784 /nfs/dbraw/zinc/84/37/84/1077843784.db2.gz YYTMHMGIXNNPPS-ZETCQYMHSA-N -1 3 317.284 2.093 20 5 DEBDHM O=[N+]([O-])c1ccc(N[C@H]2CCC[C@H](F)C2)c(-c2nnn[n-]2)c1 ZINC001609601930 1077882023 /nfs/dbraw/zinc/88/20/23/1077882023.db2.gz IGHHVXMPNNHKAQ-IUCAKERBSA-N -1 3 306.301 2.468 20 5 DEBDHM O=[N+]([O-])c1ccc(N[C@H]2CCC[C@H](F)C2)c(-c2nn[n-]n2)c1 ZINC001609601930 1077882027 /nfs/dbraw/zinc/88/20/27/1077882027.db2.gz IGHHVXMPNNHKAQ-IUCAKERBSA-N -1 3 306.301 2.468 20 5 DEBDHM O=[N+]([O-])c1ccc(N[C@H]2CCC[C@@H](F)C2)c(-c2nnn[n-]2)c1 ZINC001609601928 1077882034 /nfs/dbraw/zinc/88/20/34/1077882034.db2.gz IGHHVXMPNNHKAQ-BDAKNGLRSA-N -1 3 306.301 2.468 20 5 DEBDHM O=[N+]([O-])c1ccc(N[C@H]2CCC[C@@H](F)C2)c(-c2nn[n-]n2)c1 ZINC001609601928 1077882036 /nfs/dbraw/zinc/88/20/36/1077882036.db2.gz IGHHVXMPNNHKAQ-BDAKNGLRSA-N -1 3 306.301 2.468 20 5 DEBDHM O=[N+]([O-])c1ccc2nc(SCCc3nnn[n-]3)sc2c1 ZINC001651967338 1079843789 /nfs/dbraw/zinc/84/37/89/1079843789.db2.gz ZJXYDYANCWVNJF-UHFFFAOYSA-N -1 3 308.348 2.052 20 5 DEBDHM O=[N+]([O-])c1ccc2nc(SCCc3nn[n-]n3)sc2c1 ZINC001651967338 1079843796 /nfs/dbraw/zinc/84/37/96/1079843796.db2.gz ZJXYDYANCWVNJF-UHFFFAOYSA-N -1 3 308.348 2.052 20 5 DEBDHM CC/C=C\C[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001662171269 1080577053 /nfs/dbraw/zinc/57/70/53/1080577053.db2.gz RLVIJHIGJDDHFP-PLNGDYQASA-N -1 3 302.327 2.287 20 5 DEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C/C=C\C2CC2)c(Cl)c1 ZINC001117746231 1086251139 /nfs/dbraw/zinc/25/11/39/1086251139.db2.gz SWRYQMIRXCDDHD-UPHRSURJSA-N -1 3 316.766 2.493 20 5 DEBDHM C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCCP(=O)([O-])[O-] ZINC001254538773 1143239875 /nfs/dbraw/zinc/23/98/75/1143239875.db2.gz AXHMYEPWYBRRBI-LLVKDONJSA-N -1 3 316.294 2.073 20 5 DEBDHM O=C1C[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])Oc2ccccc21 ZINC001307188286 1147402921 /nfs/dbraw/zinc/40/29/21/1147402921.db2.gz GNAYMDNVBNMNAG-SECBINFHSA-N -1 3 315.285 2.141 20 5 DEBDHM CC(C)SCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000286856793 219196904 /nfs/dbraw/zinc/19/69/04/219196904.db2.gz XRBUVMJAIHNCMI-UHFFFAOYSA-N -1 3 322.383 2.154 20 5 DEBDHM CSCCO[N-]C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000279898854 215218561 /nfs/dbraw/zinc/21/85/61/215218561.db2.gz GDOPMUNXUBOVBK-UHFFFAOYSA-N -1 3 313.379 2.198 20 5 DEBDHM O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1[O-] ZINC000068187210 354802589 /nfs/dbraw/zinc/80/25/89/354802589.db2.gz MXYUGEFQPCWANF-UHFFFAOYSA-N -1 3 302.286 2.109 20 5 DEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)C1CCC1 ZINC000157647633 355956629 /nfs/dbraw/zinc/95/66/29/355956629.db2.gz QHDJZCMBRWPDPW-SECBINFHSA-N -1 3 314.363 2.070 20 5 DEBDHM O=C(c1cccc2nn[n-]c21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000183360805 356169106 /nfs/dbraw/zinc/16/91/06/356169106.db2.gz YREQBBYFWSONJL-UHFFFAOYSA-N -1 3 309.285 2.069 20 5 DEBDHM O=C(c1cccc2[n-]nnc21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000183360805 356169108 /nfs/dbraw/zinc/16/91/08/356169108.db2.gz YREQBBYFWSONJL-UHFFFAOYSA-N -1 3 309.285 2.069 20 5 DEBDHM O=C(c1cccc2n[n-]nc21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000183360805 356169112 /nfs/dbraw/zinc/16/91/12/356169112.db2.gz YREQBBYFWSONJL-UHFFFAOYSA-N -1 3 309.285 2.069 20 5 DEBDHM O=C([O-])C[C@@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000593290531 358049642 /nfs/dbraw/zinc/04/96/42/358049642.db2.gz MEWYBJFPOXRHEZ-LBPRGKRZSA-N -1 3 308.334 2.303 20 5 DEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@]23C[C@H]2CCC3)cc1C ZINC000594804958 358340238 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1070561517 /nfs/dbraw/zinc/56/15/17/1070561517.db2.gz OIJQCICEIHDJKN-CQSZACIVSA-N -1 3 318.337 2.002 20 5 DEBDHM CO[C@](C)(CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1CC1 ZINC001604998001 1070561529 /nfs/dbraw/zinc/56/15/29/1070561529.db2.gz OIJQCICEIHDJKN-CQSZACIVSA-N -1 3 318.337 2.002 20 5 DEBDHM CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc(C(=O)[O-])n1C ZINC001606141018 1071049757 /nfs/dbraw/zinc/04/97/57/1071049757.db2.gz MSDBXJRLGXSFES-UHFFFAOYSA-N -1 3 317.345 2.306 20 5 DEBDHM O=[N+]([O-])c1ccc(Nc2cccc(CO)c2)c(-c2nnn[n-]2)c1 ZINC001607082591 1071290826 /nfs/dbraw/zinc/29/08/26/1071290826.db2.gz RMUOYMIAAIVHEY-UHFFFAOYSA-N -1 3 312.289 2.011 20 5 DEBDHM O=[N+]([O-])c1ccc(Nc2cccc(CO)c2)c(-c2nn[n-]n2)c1 ZINC001607082591 1071290835 /nfs/dbraw/zinc/29/08/35/1071290835.db2.gz RMUOYMIAAIVHEY-UHFFFAOYSA-N -1 3 312.289 2.011 20 5 DEBDHM O=C(Nc1cccc2ocnc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001635381987 1078449589 /nfs/dbraw/zinc/44/95/89/1078449589.db2.gz AZESORAIYPCQPH-UHFFFAOYSA-N -1 3 300.230 2.089 20 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C[C@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001590255307 1076601851 /nfs/dbraw/zinc/60/18/51/1076601851.db2.gz UTAJSSKSNBKYID-DTWKUNHWSA-N -1 3 303.326 2.161 20 5 DEBDHM C[C@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001590255307 1076601852 /nfs/dbraw/zinc/60/18/52/1076601852.db2.gz UTAJSSKSNBKYID-DTWKUNHWSA-N -1 3 303.326 2.161 20 5 DEBDHM Cc1cc(NCc2cccc([N+](=O)[O-])c2)ncc1-c1nnn[n-]1 ZINC001592053339 1076840189 /nfs/dbraw/zinc/84/01/89/1076840189.db2.gz YGVVRYWLYBJCAZ-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1cc(NCc2cccc([N+](=O)[O-])c2)ncc1-c1nn[n-]n1 ZINC001592053339 1076840195 /nfs/dbraw/zinc/84/01/95/1076840195.db2.gz YGVVRYWLYBJCAZ-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1ccc(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])cn1 ZINC001592166883 1076864901 /nfs/dbraw/zinc/86/49/01/1076864901.db2.gz MOWHFZVFRMZDLI-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1ccc(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])cn1 ZINC001592166883 1076864905 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O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NC/C=C\C1CC1 ZINC001593469202 1077006476 /nfs/dbraw/zinc/00/64/76/1077006476.db2.gz SSSUHENGAFBZAA-UPHRSURJSA-N -1 3 304.285 2.292 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC1CCSCC1 ZINC001593470828 1077007523 /nfs/dbraw/zinc/00/75/23/1077007523.db2.gz NHDNZZCKAHVIIT-UHFFFAOYSA-N -1 3 306.351 2.082 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC1CCSCC1 ZINC001593470828 1077007527 /nfs/dbraw/zinc/00/75/27/1077007527.db2.gz NHDNZZCKAHVIIT-UHFFFAOYSA-N -1 3 306.351 2.082 20 5 DEBDHM O=[N+]([O-])c1ccc(NCCc2ccsc2)c(-c2nnn[n-]2)c1 ZINC001593478626 1077009221 /nfs/dbraw/zinc/00/92/21/1077009221.db2.gz JZKCROBYBLFASO-UHFFFAOYSA-N -1 3 316.346 2.491 20 5 DEBDHM O=[N+]([O-])c1ccc(NCCc2ccsc2)c(-c2nn[n-]n2)c1 ZINC001593478626 1077009226 /nfs/dbraw/zinc/00/92/26/1077009226.db2.gz JZKCROBYBLFASO-UHFFFAOYSA-N -1 3 316.346 2.491 20 5 DEBDHM Cc1noc(CN2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC001600812220 1077277316 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/nfs/dbraw/zinc/53/30/62/304533062.db2.gz ARMWSXGAMJWALP-CYBMUJFWSA-N -1 3 319.361 2.001 20 5 DEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1CCSCC1 ZINC000195139716 302047210 /nfs/dbraw/zinc/04/72/10/302047210.db2.gz ZIQCEFSOXBKFHI-UHFFFAOYSA-N -1 3 316.404 2.077 20 5 DEBDHM COc1cc([N+](=O)[O-])ccc1CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000573499799 326063587 /nfs/dbraw/zinc/06/35/87/326063587.db2.gz XDNNIZQOIQUTNX-CYBMUJFWSA-N -1 3 320.345 2.290 20 5 DEBDHM CC(C)n1cc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cn1 ZINC000735961901 598458005 /nfs/dbraw/zinc/45/80/05/598458005.db2.gz WBDQPFWQXGJZDG-UHFFFAOYSA-N -1 3 314.309 2.296 20 5 DEBDHM CC(C)n1cc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cn1 ZINC000735961901 598458006 /nfs/dbraw/zinc/45/80/06/598458006.db2.gz WBDQPFWQXGJZDG-UHFFFAOYSA-N -1 3 314.309 2.296 20 5 DEBDHM O=[N+]([O-])c1ccccc1COc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000738369277 598550929 /nfs/dbraw/zinc/55/09/29/598550929.db2.gz KCUQQPCYROZEKD-UHFFFAOYSA-N -1 3 315.264 2.493 20 5 DEBDHM O=[N+]([O-])c1ccccc1COc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000738369277 598550930 /nfs/dbraw/zinc/55/09/30/598550930.db2.gz KCUQQPCYROZEKD-UHFFFAOYSA-N -1 3 315.264 2.493 20 5 DEBDHM C[C@@H]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@@H](C)C1 ZINC000736245768 598817098 /nfs/dbraw/zinc/81/70/98/598817098.db2.gz WNSRCLZYADMUKJ-PTRXPTGYSA-N -1 3 317.353 2.407 20 5 DEBDHM C[C@@H]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@@H](C)C1 ZINC000736245768 598817099 /nfs/dbraw/zinc/81/70/99/598817099.db2.gz WNSRCLZYADMUKJ-PTRXPTGYSA-N -1 3 317.353 2.407 20 5 DEBDHM C[C@@H]1[C@H](C)SCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736300869 599305782 /nfs/dbraw/zinc/30/57/82/599305782.db2.gz GWZMHHUHQQOXQI-BDAKNGLRSA-N -1 3 320.378 2.105 20 5 DEBDHM C[C@@H]1[C@H](C)SCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736300869 599305785 /nfs/dbraw/zinc/30/57/85/599305785.db2.gz GWZMHHUHQQOXQI-BDAKNGLRSA-N -1 3 320.378 2.105 20 5 DEBDHM C[C@@]1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCCS1 ZINC000820623294 606946436 /nfs/dbraw/zinc/94/64/36/606946436.db2.gz KXSLJTVCJFYJIB-ZDUSSCGKSA-N -1 3 320.378 2.473 20 5 DEBDHM C[C@@]1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCCS1 ZINC000820623294 606946437 /nfs/dbraw/zinc/94/64/37/606946437.db2.gz KXSLJTVCJFYJIB-ZDUSSCGKSA-N -1 3 320.378 2.473 20 5 DEBDHM C[C@H]1OCC[C@@H]1Sc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825022007 607820084 /nfs/dbraw/zinc/82/00/84/607820084.db2.gz VRHMIYUVIAQSJB-XCBNKYQSSA-N -1 3 307.335 2.044 20 5 DEBDHM C[C@H]1OCC[C@@H]1Sc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825022007 607820085 /nfs/dbraw/zinc/82/00/85/607820085.db2.gz VRHMIYUVIAQSJB-XCBNKYQSSA-N -1 3 307.335 2.044 20 5 DEBDHM Cc1cnc([C@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)o1 ZINC000826317509 609434883 /nfs/dbraw/zinc/43/48/83/609434883.db2.gz FQHZUURQBUZONA-QMMMGPOBSA-N -1 3 315.293 2.244 20 5 DEBDHM Cc1cnc([C@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)o1 ZINC000826317509 609434886 /nfs/dbraw/zinc/43/48/86/609434886.db2.gz FQHZUURQBUZONA-QMMMGPOBSA-N -1 3 315.293 2.244 20 5 DEBDHM CCc1cc([N-]C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)no1 ZINC000739826936 637718518 /nfs/dbraw/zinc/71/85/18/637718518.db2.gz KPXMPQDAWZVYPJ-UHFFFAOYSA-N -1 3 306.234 2.306 20 5 DEBDHM O=c1[n-]ccc(NC[C@@H]2CC[C@H](C(F)(F)F)O2)c1[N+](=O)[O-] ZINC000895444992 638026282 /nfs/dbraw/zinc/02/62/82/638026282.db2.gz WINCRRFSTWQOMF-POYBYMJQSA-N -1 3 307.228 2.217 20 5 DEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)[N-]OCc1cccnc1 ZINC000152286598 639564942 /nfs/dbraw/zinc/56/49/42/639564942.db2.gz KIIMCUJKQGOUGN-UHFFFAOYSA-N -1 3 301.302 2.170 20 5 DEBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)[N-]OC1CCOCC1 ZINC000775240318 642019470 /nfs/dbraw/zinc/01/94/70/642019470.db2.gz GEZJIBXXVMBZSQ-UHFFFAOYSA-N -1 3 314.725 2.018 20 5 DEBDHM O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(F)cc2[n-]nnc21 ZINC000800262512 645247734 /nfs/dbraw/zinc/24/77/34/645247734.db2.gz MLJWLZCGLUHNBQ-UHFFFAOYSA-N -1 3 316.248 2.362 20 5 DEBDHM O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(F)cc2nn[n-]c21 ZINC000800262512 645247737 /nfs/dbraw/zinc/24/77/37/645247737.db2.gz MLJWLZCGLUHNBQ-UHFFFAOYSA-N -1 3 316.248 2.362 20 5 DEBDHM O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(F)cc2n[n-]nc21 ZINC000800262512 645247740 /nfs/dbraw/zinc/24/77/40/645247740.db2.gz MLJWLZCGLUHNBQ-UHFFFAOYSA-N -1 3 316.248 2.362 20 5 DEBDHM COC(=O)c1cc(C(=O)OCCc2ccccc2[N+](=O)[O-])c[n-]1 ZINC000815983426 647075065 /nfs/dbraw/zinc/07/50/65/647075065.db2.gz BQXJIHLJELVWBP-UHFFFAOYSA-N -1 3 318.285 2.109 20 5 DEBDHM C[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1nccn1C ZINC000856282267 651888437 /nfs/dbraw/zinc/88/84/37/651888437.db2.gz VZTBUOHGPDFAQQ-SECBINFHSA-N -1 3 324.287 2.298 20 5 DEBDHM C=C/C=C\CC[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000882586202 691319474 /nfs/dbraw/zinc/31/94/74/691319474.db2.gz GGUCEZUVABRFHR-PLNGDYQASA-N -1 3 302.377 2.375 20 5 DEBDHM CCC(=CC(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-])CC ZINC001094380906 792898442 /nfs/dbraw/zinc/89/84/42/792898442.db2.gz SVVCUDLVPVDMPD-UHFFFAOYSA-N -1 3 322.365 2.360 20 5 DEBDHM O=c1[n-]ccc(NCCc2nc3ccccc3o2)c1[N+](=O)[O-] ZINC001186601256 796426196 /nfs/dbraw/zinc/42/61/96/796426196.db2.gz AGKNYARVXCPFHS-UHFFFAOYSA-N -1 3 300.274 2.491 20 5 DEBDHM COCCCN(c1cc([O-])cc([N+](=O)[O-])c1)c1ncccc1N ZINC001199802840 798541567 /nfs/dbraw/zinc/54/15/67/798541567.db2.gz ZZHFPKPFGCZGAG-UHFFFAOYSA-N -1 3 318.333 2.452 20 5 DEBDHM CNC(=O)Cc1cccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201224719 798727280 /nfs/dbraw/zinc/72/72/80/798727280.db2.gz RQRPPJLDTNLVCZ-UHFFFAOYSA-N -1 3 301.302 2.333 20 5 DEBDHM Cc1ncc(Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)c(=O)[n-]1 ZINC001162306273 799057677 /nfs/dbraw/zinc/05/76/77/799057677.db2.gz VJGFFOAMZSAACK-GFCCVEGCSA-N -1 3 323.312 2.467 20 5 DEBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1NCCCc1c[n-][nH]c1=O ZINC001164376228 799588273 /nfs/dbraw/zinc/58/82/73/799588273.db2.gz ZMIKYVPZOQKZDH-GFCCVEGCSA-N -1 3 304.350 2.444 20 5 DEBDHM O=C(CCc1cc(F)ccc1[N+](=O)[O-])[N-]OC/C=C\Cl ZINC000936058479 800840698 /nfs/dbraw/zinc/84/06/98/800840698.db2.gz IDMFPVYXUGQPSD-BHQIHCQQSA-N -1 3 302.689 2.467 20 5 DEBDHM CCOC(=O)[C@H](C)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233499148 802135098 /nfs/dbraw/zinc/13/50/98/802135098.db2.gz NDFGYLBUAQSFEL-LURJTMIESA-N -1 3 313.697 2.455 20 5 DEBDHM CC(=O)c1ccc([O-])c(O[C@H](C)Cn2c(C)ncc2[N+](=O)[O-])c1 ZINC001225992725 803038444 /nfs/dbraw/zinc/03/84/44/803038444.db2.gz BGSLAQSZVVLZCB-SECBINFHSA-N -1 3 319.317 2.475 20 5 DEBDHM COc1ccc([C@H](C)Oc2ncc([N+](=O)[O-])c3nc[n-]c32)cn1 ZINC001227692500 803267583 /nfs/dbraw/zinc/26/75/83/803267583.db2.gz ZAQCBMFGLZTJAR-QMMMGPOBSA-N -1 3 315.289 2.410 20 5 DEBDHM COC[C@@H](C)OC[C@H](C)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227743283 803274272 /nfs/dbraw/zinc/27/42/72/803274272.db2.gz KKYRFNKYKDGTNP-ZJUUUORDSA-N -1 3 309.322 2.290 20 5 DEBDHM COC[C@@H](C)OC[C@H](C)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227743283 803274277 /nfs/dbraw/zinc/27/42/77/803274277.db2.gz KKYRFNKYKDGTNP-ZJUUUORDSA-N -1 3 309.322 2.290 20 5 DEBDHM CC(F)(F)CCNCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001592940068 980011134 /nfs/dbraw/zinc/01/11/34/980011134.db2.gz VAXKQGFGYSTQSG-UHFFFAOYSA-N -1 3 318.276 2.193 20 5 DEBDHM CCN1[C@H](C)CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H]1C ZINC001596449912 984150140 /nfs/dbraw/zinc/15/01/40/984150140.db2.gz OWAIWFDFSMDFOX-PHIMTYICSA-N -1 3 307.350 2.212 20 5 DEBDHM CCOc1cc(C(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2N)on1 ZINC001603051931 1069843347 /nfs/dbraw/zinc/84/33/47/1069843347.db2.gz CSQKJKLZPTTXMH-UHFFFAOYSA-N -1 3 306.278 2.124 20 5 DEBDHM C[C@H]1CCCCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001603890875 1070139279 /nfs/dbraw/zinc/13/92/79/1070139279.db2.gz NMQNHRUIKCIXFX-JTQLQIEISA-N -1 3 302.338 2.401 20 5 DEBDHM Cc1cc(N2CCC(C)(C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605692300 1070846865 /nfs/dbraw/zinc/84/68/65/1070846865.db2.gz XGFFIPFFOYVXPB-UHFFFAOYSA-N -1 3 302.338 2.320 20 5 DEBDHM Cc1cc(N2CCC(C)(C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605692300 1070846894 /nfs/dbraw/zinc/84/68/94/1070846894.db2.gz XGFFIPFFOYVXPB-UHFFFAOYSA-N -1 3 302.338 2.320 20 5 DEBDHM Cc1cc(N[C@H]2CS[C@H](C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605723037 1070873281 /nfs/dbraw/zinc/87/32/81/1070873281.db2.gz GKQDBMOIEVQVSW-RKDXNWHRSA-N -1 3 320.378 2.389 20 5 DEBDHM Cc1cc(N[C@H]2CS[C@H](C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605723037 1070873298 /nfs/dbraw/zinc/87/32/98/1070873298.db2.gz GKQDBMOIEVQVSW-RKDXNWHRSA-N -1 3 320.378 2.389 20 5 DEBDHM Cc1ccnc(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])c1 ZINC001605955053 1070988199 /nfs/dbraw/zinc/98/81/99/1070988199.db2.gz RPVIZDOXGLAOFM-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1ccnc(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])c1 ZINC001605955053 1070988203 /nfs/dbraw/zinc/98/82/03/1070988203.db2.gz RPVIZDOXGLAOFM-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCC(F)(F)CC1 ZINC001607083824 1071293662 /nfs/dbraw/zinc/29/36/62/1071293662.db2.gz OARKIFUHPHRTDS-UHFFFAOYSA-N -1 3 310.264 2.010 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCC(F)(F)CC1 ZINC001607083824 1071293668 /nfs/dbraw/zinc/29/36/68/1071293668.db2.gz OARKIFUHPHRTDS-UHFFFAOYSA-N -1 3 310.264 2.010 20 5 DEBDHM O=[N+]([O-])c1sccc1OCc1ccc(-c2nnn[n-]2)s1 ZINC001607088408 1071295992 /nfs/dbraw/zinc/29/59/92/1071295992.db2.gz NVEOXKJDXBUAFU-UHFFFAOYSA-N -1 3 309.332 2.477 20 5 DEBDHM CCc1cc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)no1 ZINC001538237401 1072334388 /nfs/dbraw/zinc/33/43/88/1072334388.db2.gz UNYSBOKGVONBDC-UHFFFAOYSA-N -1 3 305.246 2.126 20 5 DEBDHM CCc1noc([C@@H]2CC[C@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)n1 ZINC001613023376 1078115328 /nfs/dbraw/zinc/11/53/28/1078115328.db2.gz YLFLVKPCQXFFRZ-BDAKNGLRSA-N -1 3 319.321 2.389 20 5 DEBDHM CN(CCC1CC1)c1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001579104513 1067235609 /nfs/dbraw/zinc/23/56/09/1067235609.db2.gz DSWHYQBSFDNSPY-UHFFFAOYSA-N -1 3 306.301 2.150 20 5 DEBDHM CN(CCC1CC1)c1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001579104513 1067235615 /nfs/dbraw/zinc/23/56/15/1067235615.db2.gz DSWHYQBSFDNSPY-UHFFFAOYSA-N -1 3 306.301 2.150 20 5 DEBDHM O=C([N-]OCCOc1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC001637345716 1078514489 /nfs/dbraw/zinc/51/44/89/1078514489.db2.gz ZDTSQOFWASCHHV-UHFFFAOYSA-N -1 3 320.276 2.474 20 5 DEBDHM O=C(Cc1ccc([O-])c(F)c1)NCCc1ccc([N+](=O)[O-])cc1 ZINC001542235166 1072455287 /nfs/dbraw/zinc/45/52/87/1072455287.db2.gz NXLNHDFPTQDFMK-UHFFFAOYSA-N -1 3 318.304 2.341 20 5 DEBDHM O=C(CCCc1ccc([O-])c(F)c1)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001558336762 1075090051 /nfs/dbraw/zinc/09/00/51/1075090051.db2.gz PCYFZSGJJKFHES-UHFFFAOYSA-N -1 3 308.269 2.124 20 5 DEBDHM Cc1ccc(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])nc1 ZINC001581200852 1076049709 /nfs/dbraw/zinc/04/97/09/1076049709.db2.gz VYOSMLBGSAALQP-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1ccc(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])nc1 ZINC001581200852 1076049715 /nfs/dbraw/zinc/04/97/15/1076049715.db2.gz VYOSMLBGSAALQP-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM CC(C)(C)[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001589105331 1076475267 /nfs/dbraw/zinc/47/52/67/1076475267.db2.gz SYAQKHURDJQLGT-SNVBAGLBSA-N -1 3 317.353 2.042 20 5 DEBDHM CC(C)(C)[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001589105331 1076475270 /nfs/dbraw/zinc/47/52/70/1076475270.db2.gz SYAQKHURDJQLGT-SNVBAGLBSA-N -1 3 317.353 2.042 20 5 DEBDHM CC(C)/C=C\C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589520606 1076496300 /nfs/dbraw/zinc/49/63/00/1076496300.db2.gz HNELIJCZNXWEEJ-UTCJRWHESA-N -1 3 317.305 2.030 20 5 DEBDHM CC(C)/C=C\C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589520606 1076496303 /nfs/dbraw/zinc/49/63/03/1076496303.db2.gz HNELIJCZNXWEEJ-UTCJRWHESA-N -1 3 317.305 2.030 20 5 DEBDHM C[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CS1 ZINC001590207754 1076583799 /nfs/dbraw/zinc/58/37/99/1076583799.db2.gz UGWFDUYPRPKWAA-CBAPKCEASA-N -1 3 306.351 2.081 20 5 DEBDHM C[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CS1 ZINC001590207754 1076583803 /nfs/dbraw/zinc/58/38/03/1076583803.db2.gz UGWFDUYPRPKWAA-CBAPKCEASA-N -1 3 306.351 2.081 20 5 DEBDHM C[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CS1 ZINC001590207755 1076584230 /nfs/dbraw/zinc/58/42/30/1076584230.db2.gz UGWFDUYPRPKWAA-IONNQARKSA-N -1 3 306.351 2.081 20 5 DEBDHM C[C@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CS1 ZINC001590207755 1076584234 /nfs/dbraw/zinc/58/42/34/1076584234.db2.gz UGWFDUYPRPKWAA-IONNQARKSA-N -1 3 306.351 2.081 20 5 DEBDHM C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1(C)C ZINC001590276137 1076605453 /nfs/dbraw/zinc/60/54/53/1076605453.db2.gz JBEFSSVHNCJJON-VIFPVBQESA-N -1 3 317.353 2.042 20 5 DEBDHM C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1(C)C ZINC001590276137 1076605455 /nfs/dbraw/zinc/60/54/55/1076605455.db2.gz JBEFSSVHNCJJON-VIFPVBQESA-N -1 3 317.353 2.042 20 5 DEBDHM C[C@@H]1CCSCCN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590278520 1076606783 /nfs/dbraw/zinc/60/67/83/1076606783.db2.gz RMPWOXQSYQBFEC-SECBINFHSA-N -1 3 320.378 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DEBDHM COC(=O)c1cc(C(=O)[N-]c2c(C)noc2C)cc([N+](=O)[O-])c1 ZINC000063489482 354647182 /nfs/dbraw/zinc/64/71/82/354647182.db2.gz IIXVTWCVTCPUDP-UHFFFAOYSA-N -1 3 319.273 2.239 20 5 DEBDHM COc1cc(CNc2ccc(C(N)=O)cc2)c([N+](=O)[O-])cc1[O-] ZINC000127840918 355824564 /nfs/dbraw/zinc/82/45/64/355824564.db2.gz GZIHDJCTGNYMPC-UHFFFAOYSA-N -1 3 317.301 2.020 20 5 DEBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@H]3COCC[C@H]32)c1 ZINC000593743799 358135581 /nfs/dbraw/zinc/13/55/81/358135581.db2.gz LCBISSQIXSWZCH-GXTWGEPZSA-N -1 3 320.345 2.294 20 5 DEBDHM C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[C@H]1C(=O)[O-] ZINC000593748751 358136195 /nfs/dbraw/zinc/13/61/95/358136195.db2.gz RXNRCVOCOVMRDH-BXUZGUMPSA-N -1 3 308.334 2.016 20 5 DEBDHM CC(C)c1nnc([N-]C(=O)c2c(N)cccc2[N+](=O)[O-])s1 ZINC000180690208 199197391 /nfs/dbraw/zinc/19/73/91/199197391.db2.gz MQCIPILOHGBLGA-UHFFFAOYSA-N -1 3 307.335 2.404 20 5 DEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@]23C[C@H]2CCC3)c1C ZINC000594804904 358340293 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CCC[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])OCC ZINC000599367925 359480403 /nfs/dbraw/zinc/48/04/03/359480403.db2.gz OSVCHKUZQOFCKC-LLVKDONJSA-N -1 3 316.379 2.078 20 5 DEBDHM Cc1[nH]nc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1C ZINC000609109111 361280059 /nfs/dbraw/zinc/28/00/59/361280059.db2.gz GTFZNUMNMVFFIB-UHFFFAOYSA-N -1 3 300.278 2.063 20 5 DEBDHM CCc1[nH]nc(C(=O)[N-]c2ncc(Cl)s2)c1[N+](=O)[O-] ZINC000610492685 361408507 /nfs/dbraw/zinc/40/85/07/361408507.db2.gz LXIVZDSHBJTYRV-UHFFFAOYSA-N -1 3 301.715 2.243 20 5 DEBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1CCC[C@@H]1C ZINC000619482219 363808702 /nfs/dbraw/zinc/80/87/02/363808702.db2.gz CJENNKBCKYVZGA-UWVGGRQHSA-N -1 3 314.363 2.070 20 5 DEBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](C)C(F)(F)F ZINC000288680223 220343793 /nfs/dbraw/zinc/34/37/93/220343793.db2.gz UJIYLNMUSSYDFH-ZETCQYMHSA-N -1 3 312.269 2.132 20 5 DEBDHM COc1ccc(CC(=O)Nc2nc(C)ccc2[O-])cc1[N+](=O)[O-] ZINC000543373424 285282066 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O=[N+]([O-])c1cccc(OCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826499323 608670153 /nfs/dbraw/zinc/67/01/53/608670153.db2.gz DVDCVICFUMVWOO-UHFFFAOYSA-N -1 3 315.264 2.493 20 5 DEBDHM O=C([O-])[C@@H](CC(F)F)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000901813963 642792100 /nfs/dbraw/zinc/79/21/00/642792100.db2.gz RNNLOGHLUBLKNJ-SECBINFHSA-N -1 3 308.668 2.446 20 5 DEBDHM O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1[O-])OCO2 ZINC000436757354 643844181 /nfs/dbraw/zinc/84/41/81/643844181.db2.gz VNJGQFQOGNFGJL-UHFFFAOYSA-N -1 3 302.242 2.281 20 5 DEBDHM Cc1[n-]ncc1S(=O)(=O)Oc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000732218774 647552516 /nfs/dbraw/zinc/55/25/16/647552516.db2.gz ZTKQNOPKMRKVGU-UHFFFAOYSA-N -1 3 317.710 2.047 20 5 DEBDHM Cc1nn(Cc2cc(=O)oc3c(C)c([O-])ccc23)cc1[N+](=O)[O-] ZINC000821043097 647977423 /nfs/dbraw/zinc/97/74/23/647977423.db2.gz DPHBCLOPARIJPE-UHFFFAOYSA-N -1 3 315.285 2.268 20 5 DEBDHM CC[C@H](C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)N(CC)CC ZINC000828588039 649198943 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ZINC001210384348 801389789 /nfs/dbraw/zinc/38/97/89/801389789.db2.gz KAAABGPILCBSLS-UHFFFAOYSA-N -1 3 311.294 2.117 20 5 DEBDHM COC(=O)[C@@H]1CCC[C@@H]1Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227746796 803274391 /nfs/dbraw/zinc/27/43/91/803274391.db2.gz UUHWUQCJWKNMJB-SKDRFNHKSA-N -1 3 305.290 2.192 20 5 DEBDHM COC(=O)[C@@H]1CCC[C@@H]1Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227746796 803274394 /nfs/dbraw/zinc/27/43/94/803274394.db2.gz UUHWUQCJWKNMJB-SKDRFNHKSA-N -1 3 305.290 2.192 20 5 DEBDHM COc1cc(C[NH2+]CCCCCC(=O)[O-])c([N+](=O)[O-])cc1[O-] ZINC001326323083 969703355 /nfs/dbraw/zinc/70/33/55/969703355.db2.gz FTLRIAJIHBRPSO-UHFFFAOYSA-N -1 3 312.322 2.044 20 5 DEBDHM COc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC001604739258 973949022 /nfs/dbraw/zinc/94/90/22/973949022.db2.gz KYSASFXJFRLWMU-JQWIXIFHSA-N -1 3 308.334 2.146 20 5 DEBDHM CCCCOCCN[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001595771879 982524112 /nfs/dbraw/zinc/52/41/12/982524112.db2.gz 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CC[C@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCO1 ZINC001604098517 1070213863 /nfs/dbraw/zinc/21/38/63/1070213863.db2.gz HFYNPJGEVYPMCA-QWRGUYRKSA-N -1 3 318.337 2.144 20 5 DEBDHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001604835821 1070510642 /nfs/dbraw/zinc/51/06/42/1070510642.db2.gz UONYSZGWTWTMNP-LFNDISMMSA-N -1 3 308.334 2.195 20 5 DEBDHM COC(C)(C)CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604996461 1070559120 /nfs/dbraw/zinc/55/91/20/1070559120.db2.gz ZLXOHWIKLPOUSX-UHFFFAOYSA-N -1 3 306.326 2.002 20 5 DEBDHM COC(C)(C)CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604996461 1070559128 /nfs/dbraw/zinc/55/91/28/1070559128.db2.gz ZLXOHWIKLPOUSX-UHFFFAOYSA-N -1 3 306.326 2.002 20 5 DEBDHM CO[C@@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])CC(C)C ZINC001605009967 1070568412 /nfs/dbraw/zinc/56/84/12/1070568412.db2.gz XZOGXPJFYWXIKT-SNVBAGLBSA-N -1 3 320.353 2.248 20 5 DEBDHM CO[C@@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])CC(C)C ZINC001605009967 1070568418 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O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])s1 ZINC001606988145 1071269593 /nfs/dbraw/zinc/26/95/93/1071269593.db2.gz ORHUBFYTJVVHCO-UHFFFAOYSA-N -1 3 317.286 2.056 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCCc1ccco1 ZINC001607083095 1071291586 /nfs/dbraw/zinc/29/15/86/1071291586.db2.gz WXNNXKZFDZTXML-UHFFFAOYSA-N -1 3 300.278 2.023 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCCc1ccco1 ZINC001607083095 1071291591 /nfs/dbraw/zinc/29/15/91/1071291591.db2.gz WXNNXKZFDZTXML-UHFFFAOYSA-N -1 3 300.278 2.023 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCC2(CCC2)C1 ZINC001607083801 1071292363 /nfs/dbraw/zinc/29/23/63/1071292363.db2.gz NJRPCRZKBGUEGD-UHFFFAOYSA-N -1 3 300.322 2.155 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCC2(CCC2)C1 ZINC001607083801 1071292371 /nfs/dbraw/zinc/29/23/71/1071292371.db2.gz NJRPCRZKBGUEGD-UHFFFAOYSA-N -1 3 300.322 2.155 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CSc1ccncc1 ZINC001607083613 1071292800 /nfs/dbraw/zinc/29/28/00/1071292800.db2.gz 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FSQMGDYFZUCJNR-UHFFFAOYSA-N -1 3 306.326 2.002 20 5 DEBDHM CC(C)(C)OCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589197158 1076479468 /nfs/dbraw/zinc/47/94/68/1076479468.db2.gz FSQMGDYFZUCJNR-UHFFFAOYSA-N -1 3 306.326 2.002 20 5 DEBDHM CC1(CC(=O)OCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001590123585 1076568677 /nfs/dbraw/zinc/56/86/77/1076568677.db2.gz ORWRYLBQAFNYPX-UHFFFAOYSA-N -1 3 317.305 2.008 20 5 DEBDHM CC1(CC(=O)OCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001590123585 1076568682 /nfs/dbraw/zinc/56/86/82/1076568682.db2.gz ORWRYLBQAFNYPX-UHFFFAOYSA-N -1 3 317.305 2.008 20 5 DEBDHM C[C@]1(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1(F)F ZINC001590136722 1076572275 /nfs/dbraw/zinc/57/22/75/1076572275.db2.gz XWXNOWXOZSXPHA-LLVKDONJSA-N -1 3 310.264 2.232 20 5 DEBDHM C[C@]1(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1(F)F ZINC001590136722 1076572282 /nfs/dbraw/zinc/57/22/82/1076572282.db2.gz XWXNOWXOZSXPHA-LLVKDONJSA-N -1 3 310.264 2.232 20 5 DEBDHM 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DEBDHM CSc1nc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)n[n-]1 ZINC000421761115 405633788 /nfs/dbraw/zinc/63/37/88/405633788.db2.gz YTBXSVVFXQPPQT-UHFFFAOYSA-N -1 3 307.335 2.304 20 5 DEBDHM CCn1ccnc1[C@H](C)NCc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000449563184 405615170 /nfs/dbraw/zinc/61/51/70/405615170.db2.gz SIANEZMHDWCDIG-JTQLQIEISA-N -1 3 320.349 2.376 20 5 DEBDHM O=c1[n-]cnc2c1CCN(c1ccc([N+](=O)[O-])c3cccnc31)C2 ZINC000582383262 405719240 /nfs/dbraw/zinc/71/92/40/405719240.db2.gz SWIWQNGRTATDHM-UHFFFAOYSA-N -1 3 323.312 2.201 20 5 DEBDHM O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])[N-]O[C@@H]1CCCCO1 ZINC000491421812 406590526 /nfs/dbraw/zinc/59/05/26/406590526.db2.gz UXPDIXRCLXEUHI-BRLPQQTGSA-N -1 3 310.281 2.322 20 5 DEBDHM COc1cc(C(=O)NCc2cccc([N+](=O)[O-])c2)ccc1[O-] ZINC000527482856 406641316 /nfs/dbraw/zinc/64/13/16/406641316.db2.gz IEYRNPXYCBLDQB-UHFFFAOYSA-N -1 3 302.286 2.239 20 5 DEBDHM CCCc1n[nH]c(C(=O)NCc2ccc([O-])c(F)c2)c1[N+](=O)[O-] ZINC000133022774 196305373 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Cc1cc(NCc2cccc(-c3nnn[n-]3)c2)ncc1[N+](=O)[O-] ZINC000822209493 606036161 /nfs/dbraw/zinc/03/61/61/606036161.db2.gz LHVYTKHYEAGSPB-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1cc(NCc2cccc(-c3nn[n-]n3)c2)ncc1[N+](=O)[O-] ZINC000822209493 606036167 /nfs/dbraw/zinc/03/61/67/606036167.db2.gz LHVYTKHYEAGSPB-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM C[C@H]1C[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC000824886468 608196156 /nfs/dbraw/zinc/19/61/56/608196156.db2.gz ZLVJKRSGPGTXGX-VHSXEESVSA-N -1 3 318.337 2.002 20 5 DEBDHM C[C@H]1C[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC000824886468 608196158 /nfs/dbraw/zinc/19/61/58/608196158.db2.gz ZLVJKRSGPGTXGX-VHSXEESVSA-N -1 3 318.337 2.002 20 5 DEBDHM C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H]1C ZINC000824962742 608303071 /nfs/dbraw/zinc/30/30/71/608303071.db2.gz XKOPOZVKOKLVSH-NXEZZACHSA-N -1 3 302.338 2.257 20 5 DEBDHM C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H]1C ZINC000824962742 608303073 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Cc1n[n-]c(C)c1S(=O)(=O)Oc1cc([N+](=O)[O-])ccc1C ZINC000775466808 642047822 /nfs/dbraw/zinc/04/78/22/642047822.db2.gz SBCMBVMDSKKRKV-UHFFFAOYSA-N -1 3 311.319 2.011 20 5 DEBDHM COc1ccccc1CO[N-]C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000799090768 645122741 /nfs/dbraw/zinc/12/27/41/645122741.db2.gz VWOVNZJMXYKRTK-UHFFFAOYSA-N -1 3 316.313 2.394 20 5 DEBDHM CC[C@H]1CN(C)CCN1c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000910358402 645421617 /nfs/dbraw/zinc/42/16/17/645421617.db2.gz UBUNLJILSYZWRF-NSHDSACASA-N -1 3 307.350 2.132 20 5 DEBDHM COc1ccc([N+](=O)[O-])cc1COC(=O)c1cncc([O-])c1 ZINC000731916110 647522379 /nfs/dbraw/zinc/52/23/79/647522379.db2.gz QMDSFTKTKZNHPG-UHFFFAOYSA-N -1 3 304.258 2.061 20 5 DEBDHM COC(C)(C)[C@@H](C)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000921424379 648311054 /nfs/dbraw/zinc/31/10/54/648311054.db2.gz IEHKHZKSPCMKML-MRVPVSSYSA-N -1 3 322.408 2.057 20 5 DEBDHM C[C@@H](CNC(=O)OC(C)(C)C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853534190 652563875 /nfs/dbraw/zinc/56/38/75/652563875.db2.gz HDGDPQXJUGJBSA-QMMMGPOBSA-N -1 3 312.326 2.021 20 5 DEBDHM Cc1cc([N+](=O)[O-])c(F)c(C(=O)[N-]C2=NCCS2)c1F ZINC000854293514 652672157 /nfs/dbraw/zinc/67/21/57/652672157.db2.gz RKKJLAGUJJTWQX-UHFFFAOYSA-N -1 3 301.274 2.014 20 5 DEBDHM Cc1n[n-]c(C)c1S(=O)(=O)Oc1ccc(C)cc1[N+](=O)[O-] ZINC000010517044 683841718 /nfs/dbraw/zinc/84/17/18/683841718.db2.gz KKVDMRJDCUUOJB-UHFFFAOYSA-N -1 3 311.319 2.011 20 5 DEBDHM Cc1cc(N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)c(F)cc1[N+](=O)[O-] ZINC000894371572 692983558 /nfs/dbraw/zinc/98/35/58/692983558.db2.gz AMICRNMUVRVABR-SECBINFHSA-N -1 3 306.297 2.465 20 5 DEBDHM Cc1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])nc1C ZINC001212107741 780806720 /nfs/dbraw/zinc/80/67/20/780806720.db2.gz HRKMVZDHIPDWNI-UHFFFAOYSA-N -1 3 321.358 2.085 20 5 DEBDHM CN(CCNc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1[O-] ZINC001101520319 793203713 /nfs/dbraw/zinc/20/37/13/793203713.db2.gz UFXAIYMXQZDAMR-UHFFFAOYSA-N -1 3 315.329 2.485 20 5 DEBDHM CCn1ncc(NCc2ccc([O-])c(OC)c2[N+](=O)[O-])c1C ZINC001183631809 795909669 /nfs/dbraw/zinc/90/96/69/795909669.db2.gz UZBQQUHPWKNBMM-UHFFFAOYSA-N -1 3 306.322 2.446 20 5 DEBDHM CN(CCc1ccccc1[N+](=O)[O-])c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001186396373 796398701 /nfs/dbraw/zinc/39/87/01/796398701.db2.gz DXODGPZFZBBNKQ-UHFFFAOYSA-N -1 3 318.289 2.283 20 5 DEBDHM CN(C)/C=C/c1cc(NCc2ncccc2[O-])ncc1[N+](=O)[O-] ZINC001158773722 798468219 /nfs/dbraw/zinc/46/82/19/798468219.db2.gz BLKZSEVBQOEONN-FNORWQNLSA-N -1 3 315.333 2.235 20 5 DEBDHM COC(=O)c1ccc(OC)nc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199828489 798553538 /nfs/dbraw/zinc/55/35/38/798553538.db2.gz JVUBUJTXTYIBHC-UHFFFAOYSA-N -1 3 319.273 2.234 20 5 DEBDHM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1ccc2occ([O-])c2c1 ZINC001233678091 802181525 /nfs/dbraw/zinc/18/15/25/802181525.db2.gz SKANLSZVFIBKHP-SECBINFHSA-N -1 3 317.301 2.142 20 5 DEBDHM Cc1nc(O[C@@H](C)c2cc3c(cc2[N+](=O)[O-])OCO3)cc(=O)[n-]1 ZINC001226510755 803117420 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2.052 20 5 DEBDHM CN(C(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001604657449 1070460372 /nfs/dbraw/zinc/46/03/72/1070460372.db2.gz JDRPFSYGKQVOBE-UHFFFAOYSA-N -1 3 324.300 2.052 20 5 DEBDHM CN(c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC001604828240 1070508414 /nfs/dbraw/zinc/50/84/14/1070508414.db2.gz KWUVYTJBJYRKMW-UHFFFAOYSA-N -1 3 302.338 2.400 20 5 DEBDHM CN(c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC001604828240 1070508429 /nfs/dbraw/zinc/50/84/29/1070508429.db2.gz KWUVYTJBJYRKMW-UHFFFAOYSA-N -1 3 302.338 2.400 20 5 DEBDHM Cc1cc(N2CCCC3(CC3)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605694239 1070843883 /nfs/dbraw/zinc/84/38/83/1070843883.db2.gz DUGDTRPKJGUVGC-UHFFFAOYSA-N -1 3 314.349 2.464 20 5 DEBDHM Cc1cc(N2CCCC3(CC3)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605694239 1070843915 /nfs/dbraw/zinc/84/39/15/1070843915.db2.gz DUGDTRPKJGUVGC-UHFFFAOYSA-N -1 3 314.349 2.464 20 5 DEBDHM Cc1cc(N[C@H]2CS[C@@H](C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605723035 1070874056 /nfs/dbraw/zinc/87/40/56/1070874056.db2.gz GKQDBMOIEVQVSW-DTWKUNHWSA-N -1 3 320.378 2.389 20 5 DEBDHM Cc1cc(N[C@H]2CS[C@@H](C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605723035 1070874082 /nfs/dbraw/zinc/87/40/82/1070874082.db2.gz GKQDBMOIEVQVSW-DTWKUNHWSA-N -1 3 320.378 2.389 20 5 DEBDHM Cc1cc(N[C@H]2CSC2(C)C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605722987 1070877547 /nfs/dbraw/zinc/87/75/47/1070877547.db2.gz DLNCHJBNLKSWHU-NSHDSACASA-N -1 3 320.378 2.389 20 5 DEBDHM Cc1cc(N[C@H]2CSC2(C)C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605722987 1070877571 /nfs/dbraw/zinc/87/75/71/1070877571.db2.gz DLNCHJBNLKSWHU-NSHDSACASA-N -1 3 320.378 2.389 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CCCC[C@H]1F ZINC001607080132 1071288067 /nfs/dbraw/zinc/28/80/67/1071288067.db2.gz IUGPFBJUZGTHGZ-NXEZZACHSA-N -1 3 306.301 2.468 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCCC[C@H]1F ZINC001607080132 1071288077 /nfs/dbraw/zinc/28/80/77/1071288077.db2.gz IUGPFBJUZGTHGZ-NXEZZACHSA-N -1 3 306.301 2.468 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1Sc1ccccc1 ZINC001607078597 1071288121 /nfs/dbraw/zinc/28/81/21/1071288121.db2.gz IJMSJWPQJNHEBE-UHFFFAOYSA-N -1 3 300.303 2.321 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1Sc1ccccc1 ZINC001607078597 1071288130 /nfs/dbraw/zinc/28/81/30/1071288130.db2.gz IJMSJWPQJNHEBE-UHFFFAOYSA-N -1 3 300.303 2.321 20 5 DEBDHM O=c1[n-]ccc(N2CCC(Nc3ccccn3)CC2)c1[N+](=O)[O-] ZINC001472880013 1060601912 /nfs/dbraw/zinc/60/19/12/1060601912.db2.gz PAMARYMAONKXDE-UHFFFAOYSA-N -1 3 315.333 2.171 20 5 DEBDHM O=C(Nc1cc(F)c(F)c(F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001629790461 1078326388 /nfs/dbraw/zinc/32/63/88/1078326388.db2.gz PJOAOEGZULJKKT-UHFFFAOYSA-N -1 3 313.191 2.365 20 5 DEBDHM CSc1cc(F)ccc1[N-]C(=O)c1c([N+](=O)[O-])cnn1C ZINC001638831850 1078582123 /nfs/dbraw/zinc/58/21/23/1078582123.db2.gz SJYVUVRQHOFQFC-UHFFFAOYSA-N -1 3 310.310 2.442 20 5 DEBDHM O=C(Cc1cccc([N+](=O)[O-])c1)[N-]OCCOc1ccccc1 ZINC001640499611 1078663567 /nfs/dbraw/zinc/66/35/67/1078663567.db2.gz AIHYDGULJGBLMQ-UHFFFAOYSA-N -1 3 316.313 2.264 20 5 DEBDHM COc1ccc(Oc2cc[n-]c(=O)c2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC001559048596 1075111474 /nfs/dbraw/zinc/11/14/74/1075111474.db2.gz OKYRKGIATHXFGB-UHFFFAOYSA-N -1 3 307.218 2.405 20 5 DEBDHM O=C(Nc1cccc2ccncc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001566298953 1075239458 /nfs/dbraw/zinc/23/94/58/1075239458.db2.gz WELCCJPCJBWFJS-UHFFFAOYSA-N -1 3 310.269 2.496 20 5 DEBDHM CSc1cc([N-]C(=O)c2c(F)cccc2[N+](=O)[O-])ncn1 ZINC001587747509 1076426261 /nfs/dbraw/zinc/42/62/61/1076426261.db2.gz YUCKIWFSBIVHRH-UHFFFAOYSA-N -1 3 308.294 2.498 20 5 DEBDHM CC(C)(CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CC1 ZINC001589292498 1076484035 /nfs/dbraw/zinc/48/40/35/1076484035.db2.gz OZBXKUKYKAUWLZ-UHFFFAOYSA-N -1 3 303.326 2.018 20 5 DEBDHM CC(C)(CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CC1 ZINC001589292498 1076484040 /nfs/dbraw/zinc/48/40/40/1076484040.db2.gz OZBXKUKYKAUWLZ-UHFFFAOYSA-N -1 3 303.326 2.018 20 5 DEBDHM CC(C)=CCSc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001589380435 1076487670 /nfs/dbraw/zinc/48/76/70/1076487670.db2.gz XNKMSDATLSEREQ-UHFFFAOYSA-N -1 3 306.351 2.415 20 5 DEBDHM CC(C)=CCSc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001589380435 1076487675 /nfs/dbraw/zinc/48/76/75/1076487675.db2.gz XNKMSDATLSEREQ-UHFFFAOYSA-N -1 3 306.351 2.415 20 5 DEBDHM CC(C)C(C)(C)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589425407 1076488847 /nfs/dbraw/zinc/48/88/47/1076488847.db2.gz QQFZGKKMPKJTDQ-UHFFFAOYSA-N -1 3 305.342 2.264 20 5 DEBDHM CC(C)C(C)(C)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589425407 1076488850 /nfs/dbraw/zinc/48/88/50/1076488850.db2.gz QQFZGKKMPKJTDQ-UHFFFAOYSA-N -1 3 305.342 2.264 20 5 DEBDHM CC(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001589509779 1076494841 /nfs/dbraw/zinc/49/48/41/1076494841.db2.gz VJHNFRQVNFPHEX-SNVBAGLBSA-N -1 3 302.338 2.257 20 5 DEBDHM CC(C)[C@@H]1CCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001589509305 1076495256 /nfs/dbraw/zinc/49/52/56/1076495256.db2.gz OPJRBBMGDNIVCV-SECBINFHSA-N -1 3 320.328 2.396 20 5 DEBDHM CC(C)[C@@H]1CCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001589509305 1076495258 /nfs/dbraw/zinc/49/52/58/1076495258.db2.gz OPJRBBMGDNIVCV-SECBINFHSA-N -1 3 320.328 2.396 20 5 DEBDHM CC(C)SCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589761655 1076510846 /nfs/dbraw/zinc/51/08/46/1076510846.db2.gz ZMMJUIVVVNBIKB-UHFFFAOYSA-N -1 3 308.367 2.328 20 5 DEBDHM CC(C)SCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589761655 1076510852 /nfs/dbraw/zinc/51/08/52/1076510852.db2.gz ZMMJUIVVVNBIKB-UHFFFAOYSA-N -1 3 308.367 2.328 20 5 DEBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccns1 ZINC001589983106 1076541969 /nfs/dbraw/zinc/54/19/69/1076541969.db2.gz ADBLBQSHZUFSCW-ZETCQYMHSA-N -1 3 317.334 2.405 20 5 DEBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccns1 ZINC001589983106 1076541974 /nfs/dbraw/zinc/54/19/74/1076541974.db2.gz ADBLBQSHZUFSCW-ZETCQYMHSA-N -1 3 317.334 2.405 20 5 DEBDHM C[C@H]1C[C@H](Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CS1 ZINC001590207098 1076583399 /nfs/dbraw/zinc/58/33/99/1076583399.db2.gz OFQNICIDCQHMRN-BQBZGAKWSA-N -1 3 324.341 2.220 20 5 DEBDHM C[C@H]1C[C@H](Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CS1 ZINC001590207098 1076583403 /nfs/dbraw/zinc/58/34/03/1076583403.db2.gz OFQNICIDCQHMRN-BQBZGAKWSA-N -1 3 324.341 2.220 20 5 DEBDHM C[C@H]1CCSCCN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590278522 1076606801 /nfs/dbraw/zinc/60/68/01/1076606801.db2.gz RMPWOXQSYQBFEC-VIFPVBQESA-N -1 3 320.378 2.107 20 5 DEBDHM C[C@H]1CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])c2ccccc21 ZINC001590314206 1076609901 /nfs/dbraw/zinc/60/99/01/1076609901.db2.gz ADGUBCCGZDKWRZ-VIFPVBQESA-N -1 3 323.316 2.425 20 5 DEBDHM C[C@H]1CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])c2ccccc21 ZINC001590314206 1076609905 /nfs/dbraw/zinc/60/99/05/1076609905.db2.gz ADGUBCCGZDKWRZ-VIFPVBQESA-N -1 3 323.316 2.425 20 5 DEBDHM CC[C@H](C)C[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590406393 1076621708 /nfs/dbraw/zinc/62/17/08/1076621708.db2.gz NEEFOCIFSSQPGR-DTWKUNHWSA-N -1 3 305.342 2.407 20 5 DEBDHM CC[C@H](C)C[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590406393 1076621710 /nfs/dbraw/zinc/62/17/10/1076621710.db2.gz NEEFOCIFSSQPGR-DTWKUNHWSA-N -1 3 305.342 2.407 20 5 DEBDHM CC[C@@H](CSCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])OC ZINC001590450519 1076628534 /nfs/dbraw/zinc/62/85/34/1076628534.db2.gz VBWXNZPHNQEBCR-NSHDSACASA-N -1 3 323.378 2.433 20 5 DEBDHM CC[C@@H](CSCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])OC ZINC001590450519 1076628537 /nfs/dbraw/zinc/62/85/37/1076628537.db2.gz VBWXNZPHNQEBCR-NSHDSACASA-N -1 3 323.378 2.433 20 5 DEBDHM CCC1(CC)CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590494459 1076640442 /nfs/dbraw/zinc/64/04/42/1076640442.db2.gz QMHQUGFOJOYDRP-UHFFFAOYSA-N -1 3 302.338 2.401 20 5 DEBDHM CCC1(CC)CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001590494459 1076640445 /nfs/dbraw/zinc/64/04/45/1076640445.db2.gz QMHQUGFOJOYDRP-UHFFFAOYSA-N -1 3 302.338 2.401 20 5 DEBDHM CCCCOCCCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590608722 1076660464 /nfs/dbraw/zinc/66/04/64/1076660464.db2.gz XCHLUNWBYRHCCX-UHFFFAOYSA-N -1 3 320.353 2.394 20 5 DEBDHM CCCCOCCCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590608722 1076660466 /nfs/dbraw/zinc/66/04/66/1076660466.db2.gz XCHLUNWBYRHCCX-UHFFFAOYSA-N -1 3 320.353 2.394 20 5 DEBDHM CN(Cc1ccco1)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591149716 1076714317 /nfs/dbraw/zinc/71/43/17/1076714317.db2.gz ZYHFUABMPVKGRP-UHFFFAOYSA-N -1 3 300.278 2.004 20 5 DEBDHM CO[C@@H]([C@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CC1 ZINC001591325971 1076723050 /nfs/dbraw/zinc/72/30/50/1076723050.db2.gz DZAFWWVBTQFYLL-SDBXPKJASA-N -1 3 318.337 2.000 20 5 DEBDHM CO[C@@H]([C@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CC1 ZINC001591325971 1076723052 /nfs/dbraw/zinc/72/30/52/1076723052.db2.gz DZAFWWVBTQFYLL-SDBXPKJASA-N -1 3 318.337 2.000 20 5 DEBDHM COC1(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCCC1 ZINC001591342939 1076729193 /nfs/dbraw/zinc/72/91/93/1076729193.db2.gz MHPSTPNOQBJEDY-UHFFFAOYSA-N -1 3 318.337 2.146 20 5 DEBDHM COC1(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCCC1 ZINC001591342939 1076729195 /nfs/dbraw/zinc/72/91/95/1076729195.db2.gz MHPSTPNOQBJEDY-UHFFFAOYSA-N -1 3 318.337 2.146 20 5 DEBDHM CS[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001591702433 1076777346 /nfs/dbraw/zinc/77/73/46/1076777346.db2.gz DVPOWRHSXIQMNP-KYZUINATSA-N -1 3 306.351 2.081 20 5 DEBDHM CS[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001591702433 1076777351 /nfs/dbraw/zinc/77/73/51/1076777351.db2.gz DVPOWRHSXIQMNP-KYZUINATSA-N -1 3 306.351 2.081 20 5 DEBDHM Cc1cc(N2CC(C(C)C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591999810 1076828831 /nfs/dbraw/zinc/82/88/31/1076828831.db2.gz UVNUYYPOPFHNMR-UHFFFAOYSA-N -1 3 302.338 2.176 20 5 DEBDHM Cc1cc(N2CC(C(C)C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591999810 1076828838 /nfs/dbraw/zinc/82/88/38/1076828838.db2.gz UVNUYYPOPFHNMR-UHFFFAOYSA-N -1 3 302.338 2.176 20 5 DEBDHM Cc1ccc(CN(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)o1 ZINC001592152281 1076859715 /nfs/dbraw/zinc/85/97/15/1076859715.db2.gz IYIXDYUDHARAAP-UHFFFAOYSA-N -1 3 314.305 2.313 20 5 DEBDHM Cc1ccc(CN(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)o1 ZINC001592152281 1076859719 /nfs/dbraw/zinc/85/97/19/1076859719.db2.gz IYIXDYUDHARAAP-UHFFFAOYSA-N -1 3 314.305 2.313 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCC[C@@H]1CCOC1 ZINC001593471348 1077006718 /nfs/dbraw/zinc/00/67/18/1077006718.db2.gz SZYOTFIPSATNDK-SNVBAGLBSA-N -1 3 318.337 2.004 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCC[C@@H]1CCOC1 ZINC001593471348 1077006722 /nfs/dbraw/zinc/00/67/22/1077006722.db2.gz SZYOTFIPSATNDK-SNVBAGLBSA-N -1 3 318.337 2.004 20 5 DEBDHM O=[N+]([O-])c1cc(Cl)ccc1Oc1cc(-c2nnn[n-]2)cnn1 ZINC001593473158 1077006964 /nfs/dbraw/zinc/00/69/64/1077006964.db2.gz NQNAUUMRFUZQPA-UHFFFAOYSA-N -1 3 319.668 2.011 20 5 DEBDHM O=[N+]([O-])c1cc(Cl)ccc1Oc1cc(-c2nn[n-]n2)cnn1 ZINC001593473158 1077006967 /nfs/dbraw/zinc/00/69/67/1077006967.db2.gz NQNAUUMRFUZQPA-UHFFFAOYSA-N -1 3 319.668 2.011 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1Nc1cnn(C(F)F)c1 ZINC001593482545 1077009306 /nfs/dbraw/zinc/00/93/06/1077009306.db2.gz DOJVXVBCDAMAGW-UHFFFAOYSA-N -1 3 322.235 2.110 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1Nc1cnn(C(F)F)c1 ZINC001593482545 1077009311 /nfs/dbraw/zinc/00/93/11/1077009311.db2.gz DOJVXVBCDAMAGW-UHFFFAOYSA-N -1 3 322.235 2.110 20 5 DEBDHM O=[N+]([O-])c1ccc(N2CCc3ccccc3C2)c(-c2nnn[n-]2)c1 ZINC001593479475 1077009430 /nfs/dbraw/zinc/00/94/30/1077009430.db2.gz ZQJNOYUCGVJUCC-UHFFFAOYSA-N -1 3 322.328 2.338 20 5 DEBDHM O=[N+]([O-])c1ccc(N2CCc3ccccc3C2)c(-c2nn[n-]n2)c1 ZINC001593479475 1077009432 /nfs/dbraw/zinc/00/94/32/1077009432.db2.gz ZQJNOYUCGVJUCC-UHFFFAOYSA-N -1 3 322.328 2.338 20 5 DEBDHM O=[N+]([O-])c1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1 ZINC001593478408 1077009440 /nfs/dbraw/zinc/00/94/40/1077009440.db2.gz FQIKNOVZWZMEQV-UHFFFAOYSA-N -1 3 302.319 2.449 20 5 DEBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1cccnc1 ZINC001609126361 1077767608 /nfs/dbraw/zinc/76/76/08/1077767608.db2.gz QALZKUYIQJAPKY-VIFPVBQESA-N -1 3 311.305 2.343 20 5 DEBDHM CC1(C)C[C@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCO1 ZINC001609143902 1077772260 /nfs/dbraw/zinc/77/22/60/1077772260.db2.gz AGYGSYOIOQIEGH-SNVBAGLBSA-N -1 3 318.337 2.144 20 5 DEBDHM CC1(C)C[C@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCO1 ZINC001609143902 1077772266 /nfs/dbraw/zinc/77/22/66/1077772266.db2.gz AGYGSYOIOQIEGH-SNVBAGLBSA-N -1 3 318.337 2.144 20 5 DEBDHM C[C@@H]1SCC[C@H]1Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609179468 1077786399 /nfs/dbraw/zinc/78/63/99/1077786399.db2.gz SDAQUCMGKBVMMF-IONNQARKSA-N -1 3 306.351 2.081 20 5 DEBDHM C[C@@H]1SCC[C@H]1Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609179468 1077786402 /nfs/dbraw/zinc/78/64/02/1077786402.db2.gz SDAQUCMGKBVMMF-IONNQARKSA-N -1 3 306.351 2.081 20 5 DEBDHM C[C@H]1SCC[C@@H]1Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609179466 1077786784 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/nfs/dbraw/zinc/95/87/32/403958732.db2.gz IKYUAXIUIAZYPU-VHSXEESVSA-N -1 3 319.346 2.177 20 5 DEBDHM CSc1n[n-]c(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)n1 ZINC000411755409 403958740 /nfs/dbraw/zinc/95/87/40/403958740.db2.gz IKYUAXIUIAZYPU-VHSXEESVSA-N -1 3 319.346 2.177 20 5 DEBDHM CSc1nc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)n[n-]1 ZINC000411755409 403958746 /nfs/dbraw/zinc/95/87/46/403958746.db2.gz IKYUAXIUIAZYPU-VHSXEESVSA-N -1 3 319.346 2.177 20 5 DEBDHM CSc1cccc(C(=O)[N-]c2nc(C)n(C)n2)c1[N+](=O)[O-] ZINC000344513164 404195909 /nfs/dbraw/zinc/19/59/09/404195909.db2.gz LAYPPSTWALXVBP-UHFFFAOYSA-N -1 3 307.335 2.006 20 5 DEBDHM CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000344705394 404318297 /nfs/dbraw/zinc/31/82/97/404318297.db2.gz MNTIMEPSYYKTDG-AWEZNQCLSA-N -1 3 321.377 2.151 20 5 DEBDHM C[C@@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)N1CCCC[C@@H]1C ZINC000356321032 404447127 /nfs/dbraw/zinc/44/71/27/404447127.db2.gz FWQPVPOUIBTOQQ-RYUDHWBXSA-N -1 3 321.377 2.293 20 5 DEBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]OC/C=C/Cl)c1 ZINC000291988926 404615194 /nfs/dbraw/zinc/61/51/94/404615194.db2.gz ZWKIYBBSXASVSL-ZZXKWVIFSA-N -1 3 300.698 2.407 20 5 DEBDHM COc1c(C(=O)[N-]c2ncn(C(C)(C)C)n2)cccc1[N+](=O)[O-] ZINC000356738870 404674943 /nfs/dbraw/zinc/67/49/43/404674943.db2.gz FJLKEMGESXMGJP-UHFFFAOYSA-N -1 3 319.321 2.202 20 5 DEBDHM O=C([N-]c1nnc(-c2ccsc2)s1)c1cc([N+](=O)[O-])n[nH]1 ZINC000353145903 404753880 /nfs/dbraw/zinc/75/38/80/404753880.db2.gz BBASKBZCNNDTRM-UHFFFAOYSA-N -1 3 322.331 2.150 20 5 DEBDHM O=[N+]([O-])c1ccc([O-])cc1CN[C@H]([C@H](CO)C1CC1)C1CC1 ZINC000449511660 405589516 /nfs/dbraw/zinc/58/95/16/405589516.db2.gz RZXODENADFIDMW-ZBFHGGJFSA-N -1 3 306.362 2.187 20 5 DEBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)C(F)F ZINC000451088788 406047377 /nfs/dbraw/zinc/04/73/77/406047377.db2.gz ZBLONZWAQMACTE-VIFPVBQESA-N -1 3 308.306 2.225 20 5 DEBDHM CC(C)C[C@@H](C(=O)[O-])N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000569108540 292391072 /nfs/dbraw/zinc/39/10/72/292391072.db2.gz LRJKWUBICQVXFP-HNNXBMFYSA-N -1 3 321.377 2.216 20 5 DEBDHM CC1(C)CCCN(CCNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000571449573 406522387 /nfs/dbraw/zinc/52/23/87/406522387.db2.gz VGNZGBWETTUZFM-UHFFFAOYSA-N -1 3 322.365 2.222 20 5 DEBDHM O=[N+]([O-])c1ccc(Sc2n[n-]c(CO)n2)cc1C(F)(F)F ZINC000527065405 406577809 /nfs/dbraw/zinc/57/78/09/406577809.db2.gz RSCWUQGXAYMQRG-UHFFFAOYSA-N -1 3 320.252 2.375 20 5 DEBDHM C[C@H]1CCC[C@H](C)N1CCNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000571330847 292542794 /nfs/dbraw/zinc/54/27/94/292542794.db2.gz NGCVITXPEBDSJN-QWRGUYRKSA-N -1 3 322.365 2.363 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2noc([N-][C@H](CO)CC3CCC3)n2)cc1 ZINC000360113725 424836677 /nfs/dbraw/zinc/83/66/77/424836677.db2.gz DBZUWTFHTFQEMS-LBPRGKRZSA-N -1 3 318.333 2.608 20 5 DEBDHM CC[C@@H](O)[C@H](CC)[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000450858872 425082021 /nfs/dbraw/zinc/08/20/21/425082021.db2.gz LNZYMXJRBMYBEI-NWDGAFQWSA-N -1 3 306.322 2.606 20 5 DEBDHM C[C@@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000572964612 326004268 /nfs/dbraw/zinc/00/42/68/326004268.db2.gz SCMSTBXCAVKXER-MNOVXSKESA-N -1 3 322.365 2.220 20 5 DEBDHM COC(=O)c1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c[n-]1 ZINC000431249558 533743893 /nfs/dbraw/zinc/74/38/93/533743893.db2.gz LJIXRMOHZZZCGR-UHFFFAOYSA-N -1 3 303.274 2.270 20 5 DEBDHM O=C([N-]OCC1CC1)c1ccc([N+](=O)[O-])cc1Br ZINC000293898226 534709290 /nfs/dbraw/zinc/70/92/90/534709290.db2.gz ZJSVVVFFSOHWCN-UHFFFAOYSA-N -1 3 315.123 2.429 20 5 DEBDHM CC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)ccc1F ZINC000359536027 534821925 /nfs/dbraw/zinc/82/19/25/534821925.db2.gz JIXHIUITAVWHIG-UHFFFAOYSA-N -1 3 319.248 2.289 20 5 DEBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CSC2(C)C)c([N+](=O)[O-])c1 ZINC000338431041 525588460 /nfs/dbraw/zinc/58/84/60/525588460.db2.gz NRMXGZZZVVNKEK-NSHDSACASA-N -1 3 316.404 2.076 20 5 DEBDHM O=C([N-]c1cccc(F)c1-c1nc[nH]n1)c1ccc([N+](=O)[O-])o1 ZINC000365113765 527353954 /nfs/dbraw/zinc/35/39/54/527353954.db2.gz WSXBIWOZTDWNTN-UHFFFAOYSA-N -1 3 317.236 2.364 20 5 DEBDHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@H](C)S1 ZINC000820770124 599075123 /nfs/dbraw/zinc/07/51/23/599075123.db2.gz YWKNZQGODHNDPR-RKDXNWHRSA-N -1 3 320.378 2.105 20 5 DEBDHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@@H](C)S1 ZINC000820770124 599075125 /nfs/dbraw/zinc/07/51/25/599075125.db2.gz YWKNZQGODHNDPR-RKDXNWHRSA-N -1 3 320.378 2.105 20 5 DEBDHM Cc1c(NC(=O)c2cccc([N+](=O)[O-])c2)cccc1-c1nnn[n-]1 ZINC000822115683 607267515 /nfs/dbraw/zinc/26/75/15/607267515.db2.gz HIVBVHBZFREDSA-UHFFFAOYSA-N -1 3 324.300 2.336 20 5 DEBDHM Cc1c(NC(=O)c2cccc([N+](=O)[O-])c2)cccc1-c1nn[n-]n1 ZINC000822115683 607267516 /nfs/dbraw/zinc/26/75/16/607267516.db2.gz HIVBVHBZFREDSA-UHFFFAOYSA-N -1 3 324.300 2.336 20 5 DEBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H]2C2CC2)c(-c2nnn[n-]2)c1 ZINC000738371664 598674109 /nfs/dbraw/zinc/67/41/09/598674109.db2.gz WESCGIWXLHOKKO-GFCCVEGCSA-N -1 3 300.322 2.154 20 5 DEBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H]2C2CC2)c(-c2nn[n-]n2)c1 ZINC000738371664 598674110 /nfs/dbraw/zinc/67/41/10/598674110.db2.gz WESCGIWXLHOKKO-GFCCVEGCSA-N -1 3 300.322 2.154 20 5 DEBDHM O=[N+]([O-])c1ccc(N2CCC[C@H]2C2CC2)c(-c2nnn[n-]2)c1 ZINC000738371666 598674130 /nfs/dbraw/zinc/67/41/30/598674130.db2.gz WESCGIWXLHOKKO-LBPRGKRZSA-N -1 3 300.322 2.154 20 5 DEBDHM O=[N+]([O-])c1ccc(N2CCC[C@H]2C2CC2)c(-c2nn[n-]n2)c1 ZINC000738371666 598674131 /nfs/dbraw/zinc/67/41/31/598674131.db2.gz WESCGIWXLHOKKO-LBPRGKRZSA-N -1 3 300.322 2.154 20 5 DEBDHM C[C@H]1C[C@@H]1Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820676889 599520640 /nfs/dbraw/zinc/52/06/40/599520640.db2.gz OWXJWPNJCMVMLL-MADCSZMMSA-N -1 3 311.305 2.143 20 5 DEBDHM C[C@H]1C[C@@H]1Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820676889 599520641 /nfs/dbraw/zinc/52/06/41/599520641.db2.gz OWXJWPNJCMVMLL-MADCSZMMSA-N -1 3 311.305 2.143 20 5 DEBDHM CSCC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821961965 606041282 /nfs/dbraw/zinc/04/12/82/606041282.db2.gz MUWQNPDPOMDION-VIFPVBQESA-N -1 3 322.394 2.353 20 5 DEBDHM CSCC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821961965 606041288 /nfs/dbraw/zinc/04/12/88/606041288.db2.gz MUWQNPDPOMDION-VIFPVBQESA-N -1 3 322.394 2.353 20 5 DEBDHM C[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC000820709651 606645576 /nfs/dbraw/zinc/64/55/76/606645576.db2.gz KSNJRQWHYASKDJ-SNVBAGLBSA-N -1 3 302.338 2.401 20 5 DEBDHM C[C@H](Nc1ncccc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000824669681 608416805 /nfs/dbraw/zinc/41/68/05/608416805.db2.gz FKIDGDGBEKMBPF-VIFPVBQESA-N -1 3 311.305 2.343 20 5 DEBDHM C[C@H](Nc1ncccc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000824669681 608416806 /nfs/dbraw/zinc/41/68/06/608416806.db2.gz FKIDGDGBEKMBPF-VIFPVBQESA-N -1 3 311.305 2.343 20 5 DEBDHM O=c1cc(N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nc[n-]1 ZINC000894063235 636101848 /nfs/dbraw/zinc/10/18/48/636101848.db2.gz KONJCVFIPOQRRJ-LBPRGKRZSA-N -1 3 300.318 2.474 20 5 DEBDHM CCc1ccc2c(c1)CCN2C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000900872881 642498574 /nfs/dbraw/zinc/49/85/74/642498574.db2.gz CDCPCXFYVTWOTO-UHFFFAOYSA-N -1 3 313.313 2.461 20 5 DEBDHM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2cccnc2)c1Cl ZINC000788217962 643579139 /nfs/dbraw/zinc/57/91/39/643579139.db2.gz XBGSKJUFTFXPNZ-UHFFFAOYSA-N -1 3 313.722 2.444 20 5 DEBDHM CN(CCOC(C)(C)C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821603550 648086129 /nfs/dbraw/zinc/08/61/29/648086129.db2.gz DJHQANKXXMOCKE-UHFFFAOYSA-N -1 3 320.353 2.026 20 5 DEBDHM CN(CCOC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821603550 648086132 /nfs/dbraw/zinc/08/61/32/648086132.db2.gz DJHQANKXXMOCKE-UHFFFAOYSA-N -1 3 320.353 2.026 20 5 DEBDHM O=c1ccnc(C=Cc2cc([N+](=O)[O-])ccc2OC(F)F)[n-]1 ZINC000131820561 684202919 /nfs/dbraw/zinc/20/29/19/684202919.db2.gz VRNCAMSMUDGIDE-DAFODLJHSA-N -1 3 309.228 2.450 20 5 DEBDHM Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)[N-]CC(F)F ZINC000881958231 691190937 /nfs/dbraw/zinc/19/09/37/691190937.db2.gz FSYUZDQGMBIDDC-UHFFFAOYSA-N -1 3 314.697 2.100 20 5 DEBDHM C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCN1c1ccccc1 ZINC000897273746 693016430 /nfs/dbraw/zinc/01/64/30/693016430.db2.gz WAZLBNMZHCXLSD-GFCCVEGCSA-N -1 3 314.345 2.411 20 5 DEBDHM O=[N+]([O-])c1cc[n+]([O-])cc1[N-][C@H](c1ccccn1)C(F)(F)F ZINC001168481504 782647639 /nfs/dbraw/zinc/64/76/39/782647639.db2.gz XJQFTYNLUKESLU-LLVKDONJSA-N -1 3 314.223 2.339 20 5 DEBDHM CCC(=O)N[C@H]1CC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001066414305 784437668 /nfs/dbraw/zinc/43/76/68/784437668.db2.gz AMJSTCAZBDVUPR-XYPYZODXSA-N -1 3 322.365 2.192 20 5 DEBDHM C[C@H]1CC[C@H](C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001093763650 792583894 /nfs/dbraw/zinc/58/38/94/792583894.db2.gz QKFMBWCPOMEBOW-XYPYZODXSA-N -1 3 322.365 2.050 20 5 DEBDHM O=C(NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CCCCC1 ZINC001094286088 792815747 /nfs/dbraw/zinc/81/57/47/792815747.db2.gz CJQHBLSUSGGMEB-UHFFFAOYSA-N -1 3 322.365 2.194 20 5 DEBDHM C/C=C(\C)C(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC001111780220 794478169 /nfs/dbraw/zinc/47/81/69/794478169.db2.gz LAPDKZAAFFVGKD-XCVCLJGOSA-N -1 3 320.349 2.112 20 5 DEBDHM C/C=C(/C)C(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC001111780219 794478566 /nfs/dbraw/zinc/47/85/66/794478566.db2.gz LAPDKZAAFFVGKD-KMKOMSMNSA-N -1 3 320.349 2.112 20 5 DEBDHM C[S@@](=O)Cc1cccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001185386837 796246474 /nfs/dbraw/zinc/24/64/74/796246474.db2.gz IMZPNPQNRQIFRR-OAQYLSRUSA-N -1 3 307.331 2.318 20 5 DEBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ncccc2N2CCOCC2)c1 ZINC001199819465 798536353 /nfs/dbraw/zinc/53/63/53/798536353.db2.gz SHYDLGIYLFGFAM-UHFFFAOYSA-N -1 3 316.317 2.276 20 5 DEBDHM NC(=O)c1ncc(Cl)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199814372 798543954 /nfs/dbraw/zinc/54/39/54/798543954.db2.gz HSJBYFNWKHFPNM-UHFFFAOYSA-N -1 3 308.681 2.191 20 5 DEBDHM COCC(=O)Nc1ccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001161974150 798984109 /nfs/dbraw/zinc/98/41/09/798984109.db2.gz AIJFLEMUZKZPAH-UHFFFAOYSA-N -1 3 318.289 2.024 20 5 DEBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1cnn2cccnc12 ZINC000800148591 799323627 /nfs/dbraw/zinc/32/36/27/799323627.db2.gz HAHIUTAGKWQBDH-UHFFFAOYSA-N -1 3 315.264 2.337 20 5 DEBDHM O=[N+]([O-])c1cc2[n-]c(O[C@@H]3CNCC3(F)F)nc2cc1Cl ZINC001218239646 802159281 /nfs/dbraw/zinc/15/92/81/802159281.db2.gz PXYMWHBKYHDSJE-SECBINFHSA-N -1 3 318.667 2.110 20 5 DEBDHM O=[N+]([O-])c1cc2nc(O[C@@H]3CNCC3(F)F)[n-]c2cc1Cl ZINC001218239646 802159283 /nfs/dbraw/zinc/15/92/83/802159283.db2.gz PXYMWHBKYHDSJE-SECBINFHSA-N -1 3 318.667 2.110 20 5 DEBDHM Cc1cc2[n-]c(O[C@H]3CNCC(F)(F)C3)nc2cc1[N+](=O)[O-] ZINC001218276981 802162501 /nfs/dbraw/zinc/16/25/01/802162501.db2.gz YRTVPPVKSSJSJD-MRVPVSSYSA-N -1 3 312.276 2.156 20 5 DEBDHM COC(=O)[C@H](Cc1ccccc1)Oc1c([O-])cccc1[N+](=O)[O-] ZINC001226335122 803092771 /nfs/dbraw/zinc/09/27/71/803092771.db2.gz DCBKZXUZTYQIJW-AWEZNQCLSA-N -1 3 317.297 2.464 20 5 DEBDHM Cc1nc(O[C@H](C)c2cc3c(cc2[N+](=O)[O-])OCO3)cc(=O)[n-]1 ZINC001226510754 803117389 /nfs/dbraw/zinc/11/73/89/803117389.db2.gz PIOBQVIQAGVSBU-SSDOTTSWSA-N -1 3 319.273 2.268 20 5 DEBDHM C[C@H](Oc1[n-]c(=O)nc2cnncc21)c1ccccc1[N+](=O)[O-] ZINC001226693827 803143796 /nfs/dbraw/zinc/14/37/96/803143796.db2.gz ZDYTVPGRVRJTKM-QMMMGPOBSA-N -1 3 313.273 2.174 20 5 DEBDHM C[C@H](Oc1[n-]c(=O)nc2nccnc21)c1ccccc1[N+](=O)[O-] ZINC001226988857 803186471 /nfs/dbraw/zinc/18/64/71/803186471.db2.gz AQNLCIHXSLIMOT-QMMMGPOBSA-N -1 3 313.273 2.174 20 5 DEBDHM COC[C@@H](C)OC[C@@H](C)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227743280 803273814 /nfs/dbraw/zinc/27/38/14/803273814.db2.gz KKYRFNKYKDGTNP-NXEZZACHSA-N -1 3 309.322 2.290 20 5 DEBDHM COC[C@@H](C)OC[C@@H](C)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227743280 803273817 /nfs/dbraw/zinc/27/38/17/803273817.db2.gz KKYRFNKYKDGTNP-NXEZZACHSA-N -1 3 309.322 2.290 20 5 DEBDHM CC(=O)N1CCC(Oc2nc3cc([N+](=O)[O-])c(C)cc3[n-]2)CC1 ZINC001228674736 803391622 /nfs/dbraw/zinc/39/16/22/803391622.db2.gz MAYSTPRQPJACJG-UHFFFAOYSA-N -1 3 318.333 2.169 20 5 DEBDHM CCOC(=O)CC1CC(Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])C1 ZINC001228686930 803393999 /nfs/dbraw/zinc/39/39/99/803393999.db2.gz SDCVETZVUWHSCZ-UHFFFAOYSA-N -1 3 310.306 2.114 20 5 DEBDHM Cc1[n-]c(=O)cc(OC[C@H]2COc3cscc3O2)c1[N+](=O)[O-] ZINC001228690180 803395636 /nfs/dbraw/zinc/39/56/36/803395636.db2.gz ZKSMQBJKXGRVBZ-QMMMGPOBSA-N -1 3 324.314 2.284 20 5 DEBDHM Cc1[n-]c(=O)cc(OC[C@@H]2CC[C@@]3(CCCCO3)O2)c1[N+](=O)[O-] ZINC001228688092 803395814 /nfs/dbraw/zinc/39/58/14/803395814.db2.gz DNZXVWGREBXCHU-XHDPSFHLSA-N -1 3 324.333 2.458 20 5 DEBDHM COc1cc(CN[C@@](C)(CCF)C(=O)[O-])c([N+](=O)[O-])cc1F ZINC001599415888 997510136 /nfs/dbraw/zinc/51/01/36/997510136.db2.gz JJWSXROPNLRKDS-ZDUSSCGKSA-N -1 3 318.276 2.035 20 5 DEBDHM COc1c([O-])ccc(C[NH2+]C(C)(C)CCC(=O)[O-])c1[N+](=O)[O-] ZINC001599344705 997981939 /nfs/dbraw/zinc/98/19/39/997981939.db2.gz NAKAPEYDUMHJOX-UHFFFAOYSA-N -1 3 312.322 2.042 20 5 DEBDHM C/C(=C/Cl)CSc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001602902140 1069791069 /nfs/dbraw/zinc/79/10/69/1069791069.db2.gz RXCVKFARZMTIJA-UTCJRWHESA-N -1 3 312.742 2.405 20 5 DEBDHM C/C(=C/Cl)CSc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001602902140 1069791084 /nfs/dbraw/zinc/79/10/84/1069791084.db2.gz RXCVKFARZMTIJA-UTCJRWHESA-N -1 3 312.742 2.405 20 5 DEBDHM CC(C)C[C@@H]1C[C@H]1Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001603307014 1069940122 /nfs/dbraw/zinc/94/01/22/1069940122.db2.gz WLUFYMCRXCEPEV-LDYMZIIASA-N -1 3 303.326 2.016 20 5 DEBDHM CC(C)C[C@@H]1C[C@H]1Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001603307014 1069940129 /nfs/dbraw/zinc/94/01/29/1069940129.db2.gz WLUFYMCRXCEPEV-LDYMZIIASA-N -1 3 303.326 2.016 20 5 DEBDHM CC(C)[C@@H]1C[C@H]1Nc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603386276 1069960118 /nfs/dbraw/zinc/96/01/18/1069960118.db2.gz LKZGUXCQTZUGIL-OIBJUYFYSA-N -1 3 306.301 2.370 20 5 DEBDHM CC(C)[C@@H]1C[C@H]1Nc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603386276 1069960127 /nfs/dbraw/zinc/96/01/27/1069960127.db2.gz LKZGUXCQTZUGIL-OIBJUYFYSA-N -1 3 306.301 2.370 20 5 DEBDHM C[C@H](CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)CC(F)F ZINC001603553063 1069985917 /nfs/dbraw/zinc/98/59/17/1069985917.db2.gz LOJTVBJYQQKXQA-ZETCQYMHSA-N -1 3 312.280 2.478 20 5 DEBDHM C[C@@H]1CC(F)(F)CCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001603854695 1070121821 /nfs/dbraw/zinc/12/18/21/1070121821.db2.gz KVBDIQVAHTYRJR-MRVPVSSYSA-N -1 3 324.291 2.399 20 5 DEBDHM C[C@@H]1CC(F)(F)CCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001603854695 1070121824 /nfs/dbraw/zinc/12/18/24/1070121824.db2.gz KVBDIQVAHTYRJR-MRVPVSSYSA-N -1 3 324.291 2.399 20 5 DEBDHM C[C@@H]1CC[C@H](CNc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001603877930 1070132287 /nfs/dbraw/zinc/13/22/87/1070132287.db2.gz FEHLOADXCQOPCO-BDAKNGLRSA-N -1 3 317.353 2.205 20 5 DEBDHM C[C@@H]1CC[C@H](CNc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001603877930 1070132290 /nfs/dbraw/zinc/13/22/90/1070132290.db2.gz FEHLOADXCQOPCO-BDAKNGLRSA-N -1 3 317.353 2.205 20 5 DEBDHM C[C@H]1CCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C[C@H]1C ZINC001603911446 1070147438 /nfs/dbraw/zinc/14/74/38/1070147438.db2.gz NZYLTBQWYNHEFP-VHSXEESVSA-N -1 3 302.338 2.257 20 5 DEBDHM C[C@H]1CCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C[C@H]1C ZINC001603911446 1070147442 /nfs/dbraw/zinc/14/74/42/1070147442.db2.gz NZYLTBQWYNHEFP-VHSXEESVSA-N -1 3 302.338 2.257 20 5 DEBDHM C[C@H]1SCC[C@@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603956463 1070159740 /nfs/dbraw/zinc/15/97/40/1070159740.db2.gz QPFUDSHXOUBYJN-APPZFPTMSA-N -1 3 306.351 2.081 20 5 DEBDHM C[C@H]1SCC[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603956463 1070159741 /nfs/dbraw/zinc/15/97/41/1070159741.db2.gz QPFUDSHXOUBYJN-APPZFPTMSA-N -1 3 306.351 2.081 20 5 DEBDHM O=C([N-]c1c(F)ccnc1F)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001527567368 1070508865 /nfs/dbraw/zinc/50/88/65/1070508865.db2.gz XNOPMSQBDQYGNG-UHFFFAOYSA-N -1 3 323.211 2.249 20 5 DEBDHM O=C(Nc1ccc([N+](=O)[O-])cc1)c1sccc1-c1nnn[n-]1 ZINC001606928911 1071245641 /nfs/dbraw/zinc/24/56/41/1071245641.db2.gz IUSHSWAOCAUCKC-UHFFFAOYSA-N -1 3 316.302 2.089 20 5 DEBDHM O=C(Nc1ccc([N+](=O)[O-])cc1)c1sccc1-c1nn[n-]n1 ZINC001606928911 1071245649 /nfs/dbraw/zinc/24/56/49/1071245649.db2.gz IUSHSWAOCAUCKC-UHFFFAOYSA-N -1 3 316.302 2.089 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCC[C@@H]1CC=CCC1 ZINC001607081010 1071291693 /nfs/dbraw/zinc/29/16/93/1071291693.db2.gz XKSMAOPTYBQFSI-SNVBAGLBSA-N -1 3 315.337 2.328 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCC[C@@H]1CC=CCC1 ZINC001607081010 1071291699 /nfs/dbraw/zinc/29/16/99/1071291699.db2.gz XKSMAOPTYBQFSI-SNVBAGLBSA-N -1 3 315.337 2.328 20 5 DEBDHM O=[N+]([O-])c1sccc1OCc1ccccc1-c1nnn[n-]1 ZINC001607088500 1071295560 /nfs/dbraw/zinc/29/55/60/1071295560.db2.gz PYAWWESMIYWCPZ-UHFFFAOYSA-N -1 3 303.303 2.415 20 5 DEBDHM O=[N+]([O-])c1sccc1OCc1ccccc1-c1nn[n-]n1 ZINC001607088500 1071295564 /nfs/dbraw/zinc/29/55/64/1071295564.db2.gz PYAWWESMIYWCPZ-UHFFFAOYSA-N -1 3 303.303 2.415 20 5 DEBDHM CC(C)(C)OC(=O)N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001458704257 1058087034 /nfs/dbraw/zinc/08/70/34/1058087034.db2.gz XZTNEVCOFATOJR-KYZUINATSA-N -1 3 324.337 2.163 20 5 DEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C/C=C/Cl)c(Cl)c1 ZINC001464755022 1059196761 /nfs/dbraw/zinc/19/67/61/1059196761.db2.gz XVMMBQRKMIIFEY-DAFODLJHSA-N -1 3 311.146 2.279 20 5 DEBDHM C[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ncc[nH]1 ZINC001628440414 1078298348 /nfs/dbraw/zinc/29/83/48/1078298348.db2.gz CHZXYWYFEIYVOI-MRVPVSSYSA-N -1 3 310.260 2.287 20 5 DEBDHM Cc1cccc([O-])c1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001629833779 1078326902 /nfs/dbraw/zinc/32/69/02/1078326902.db2.gz JRMIMJGNVGCCPT-UHFFFAOYSA-N -1 3 315.329 2.451 20 5 DEBDHM C=COc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC001638793211 1078581264 /nfs/dbraw/zinc/58/12/64/1078581264.db2.gz DVCHTFBQJSTCBG-UHFFFAOYSA-N -1 3 301.258 2.470 20 5 DEBDHM CN(C)c1cc(F)cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC001638890766 1078585331 /nfs/dbraw/zinc/58/53/31/1078585331.db2.gz PZFGTUCPGCJFOR-UHFFFAOYSA-N -1 3 320.280 2.153 20 5 DEBDHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC001644222761 1078834898 /nfs/dbraw/zinc/83/48/98/1078834898.db2.gz IQMNIIGXSVIHBN-UHFFFAOYSA-N -1 3 316.317 2.064 20 5 DEBDHM C[C@@](O)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1cccc(F)c1 ZINC001559284016 1075118219 /nfs/dbraw/zinc/11/82/19/1075118219.db2.gz JLVJROBMFTUZIV-CQSZACIVSA-N -1 3 307.281 2.154 20 5 DEBDHM CC1(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCOCC1 ZINC001590134343 1076569961 /nfs/dbraw/zinc/56/99/61/1076569961.db2.gz WIQOMZGUQQHMHW-UHFFFAOYSA-N -1 3 318.337 2.004 20 5 DEBDHM CC1(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCOCC1 ZINC001590134343 1076569965 /nfs/dbraw/zinc/56/99/65/1076569965.db2.gz WIQOMZGUQQHMHW-UHFFFAOYSA-N -1 3 318.337 2.004 20 5 DEBDHM CC1=C(C)CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1 ZINC001590160895 1076575335 /nfs/dbraw/zinc/57/53/35/1076575335.db2.gz WAAHSGSZSUFDNN-UHFFFAOYSA-N -1 3 300.322 2.321 20 5 DEBDHM CC1=C(C)CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1 ZINC001590160895 1076575342 /nfs/dbraw/zinc/57/53/42/1076575342.db2.gz WAAHSGSZSUFDNN-UHFFFAOYSA-N -1 3 300.322 2.321 20 5 DEBDHM C[C@@H]1C[C@H](CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])[C@@H](C)O1 ZINC001590192018 1076581042 /nfs/dbraw/zinc/58/10/42/1076581042.db2.gz ADERKQBCXPAFFH-OPRDCNLKSA-N -1 3 318.337 2.000 20 5 DEBDHM C[C@@H]1C[C@H](CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])[C@@H](C)O1 ZINC001590192018 1076581044 /nfs/dbraw/zinc/58/10/44/1076581044.db2.gz ADERKQBCXPAFFH-OPRDCNLKSA-N -1 3 318.337 2.000 20 5 DEBDHM C[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CS1 ZINC001590207450 1076584608 /nfs/dbraw/zinc/58/46/08/1076584608.db2.gz RZFPKBWKUMLRTQ-APPZFPTMSA-N -1 3 306.351 2.081 20 5 DEBDHM C[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CS1 ZINC001590207450 1076584613 /nfs/dbraw/zinc/58/46/13/1076584613.db2.gz RZFPKBWKUMLRTQ-APPZFPTMSA-N -1 3 306.351 2.081 20 5 DEBDHM CC[C@@](C)(CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-])OC ZINC001590382659 1076618454 /nfs/dbraw/zinc/61/84/54/1076618454.db2.gz SPZVRXMNRLEWHU-ZDUSSCGKSA-N -1 3 324.316 2.141 20 5 DEBDHM CC[C@@](C)(CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-])OC ZINC001590382659 1076618456 /nfs/dbraw/zinc/61/84/56/1076618456.db2.gz SPZVRXMNRLEWHU-ZDUSSCGKSA-N -1 3 324.316 2.141 20 5 DEBDHM CC[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC001590504631 1076642544 /nfs/dbraw/zinc/64/25/44/1076642544.db2.gz KIPAQNNUVNMQNO-WDEREUQCSA-N -1 3 318.337 2.144 20 5 DEBDHM CC[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC001590504631 1076642547 /nfs/dbraw/zinc/64/25/47/1076642547.db2.gz KIPAQNNUVNMQNO-WDEREUQCSA-N -1 3 318.337 2.144 20 5 DEBDHM CCO[C@@H]1CCC[C@H]1Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590820606 1076680893 /nfs/dbraw/zinc/68/08/93/1076680893.db2.gz YXNXVCGARKDEKL-DGCLKSJQSA-N -1 3 318.337 2.144 20 5 DEBDHM CCn1nc(C)c([N+](=O)[O-])c1Oc1ccc(-c2nnn[n-]2)cc1 ZINC001590965741 1076699649 /nfs/dbraw/zinc/69/96/49/1076699649.db2.gz IYCQAEHOYLTDJQ-UHFFFAOYSA-N -1 3 315.293 2.092 20 5 DEBDHM CCn1nc(C)c([N+](=O)[O-])c1Oc1ccc(-c2nn[n-]n2)cc1 ZINC001590965741 1076699650 /nfs/dbraw/zinc/69/96/50/1076699650.db2.gz IYCQAEHOYLTDJQ-UHFFFAOYSA-N -1 3 315.293 2.092 20 5 DEBDHM O=[N+]([O-])c1c(Nc2ccc3nccn3c2)cccc1-c1nnn[n-]1 ZINC001593468718 1077005537 /nfs/dbraw/zinc/00/55/37/1077005537.db2.gz JJUVWKLDYGWGMP-UHFFFAOYSA-N -1 3 322.288 2.166 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CSC[C@@H]1CCCO1 ZINC001593468845 1077005698 /nfs/dbraw/zinc/00/56/98/1077005698.db2.gz TUZCLRFWHVVPFY-NSHDSACASA-N -1 3 321.362 2.187 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CSC[C@@H]1CCCO1 ZINC001593468845 1077005706 /nfs/dbraw/zinc/00/57/06/1077005706.db2.gz TUZCLRFWHVVPFY-NSHDSACASA-N -1 3 321.362 2.187 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC2(C1)CC(F)(F)C2 ZINC001593467485 1077006245 /nfs/dbraw/zinc/00/62/45/1077006245.db2.gz AJWIKUBDCPILET-UHFFFAOYSA-N -1 3 322.275 2.010 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC2(C1)CC(F)(F)C2 ZINC001593467485 1077006247 /nfs/dbraw/zinc/00/62/47/1077006247.db2.gz AJWIKUBDCPILET-UHFFFAOYSA-N -1 3 322.275 2.010 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCC[C@H]1CCSC1 ZINC001593470187 1077007186 /nfs/dbraw/zinc/00/71/86/1077007186.db2.gz ICYADACHGIZHCP-VIFPVBQESA-N -1 3 320.378 2.330 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCC[C@H]1CCSC1 ZINC001593470187 1077007191 /nfs/dbraw/zinc/00/71/91/1077007191.db2.gz ICYADACHGIZHCP-VIFPVBQESA-N -1 3 320.378 2.330 20 5 DEBDHM O=[N+]([O-])c1ccc(N2CCC(C3CC3)CC2)c(-c2nnn[n-]2)c1 ZINC001593476663 1077008194 /nfs/dbraw/zinc/00/81/94/1077008194.db2.gz UIVOXRSGMKLQQD-UHFFFAOYSA-N -1 3 314.349 2.401 20 5 DEBDHM O=[N+]([O-])c1ccc(N2CCC(C3CC3)CC2)c(-c2nn[n-]n2)c1 ZINC001593476663 1077008200 /nfs/dbraw/zinc/00/82/00/1077008200.db2.gz UIVOXRSGMKLQQD-UHFFFAOYSA-N -1 3 314.349 2.401 20 5 DEBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCc3cc(-c4nnn[n-]4)ccc32)nc1 ZINC001593478029 1077008248 /nfs/dbraw/zinc/00/82/48/1077008248.db2.gz PCHGFPQRZHZMCO-CYBMUJFWSA-N -1 3 323.316 2.269 20 5 DEBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCc3cc(-c4nn[n-]n4)ccc32)nc1 ZINC001593478029 1077008251 /nfs/dbraw/zinc/00/82/51/1077008251.db2.gz PCHGFPQRZHZMCO-CYBMUJFWSA-N -1 3 323.316 2.269 20 5 DEBDHM O=[N+]([O-])c1ccc(Nc2cnn(C(F)F)c2)c(-c2nnn[n-]2)c1 ZINC001593481841 1077009689 /nfs/dbraw/zinc/00/96/89/1077009689.db2.gz MCUAHMPCIXWJHQ-UHFFFAOYSA-N -1 3 322.235 2.110 20 5 DEBDHM O=[N+]([O-])c1ccc(Nc2cnn(C(F)F)c2)c(-c2nn[n-]n2)c1 ZINC001593481841 1077009694 /nfs/dbraw/zinc/00/96/94/1077009694.db2.gz MCUAHMPCIXWJHQ-UHFFFAOYSA-N -1 3 322.235 2.110 20 5 DEBDHM O=[N+]([O-])c1sccc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC001593488767 1077010650 /nfs/dbraw/zinc/01/06/50/1077010650.db2.gz STJJPLJQKDVALX-UHFFFAOYSA-N -1 3 302.319 2.449 20 5 DEBDHM O=[N+]([O-])c1sccc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC001593488767 1077010654 /nfs/dbraw/zinc/01/06/54/1077010654.db2.gz STJJPLJQKDVALX-UHFFFAOYSA-N -1 3 302.319 2.449 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@@H]1CCCC[C@@H]1F ZINC001593483618 1077011085 /nfs/dbraw/zinc/01/10/85/1077011085.db2.gz YNRYANAGDFOQLN-VHSXEESVSA-N -1 3 306.301 2.468 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@@H]1CCCC[C@@H]1F ZINC001593483618 1077011090 /nfs/dbraw/zinc/01/10/90/1077011090.db2.gz YNRYANAGDFOQLN-VHSXEESVSA-N -1 3 306.301 2.468 20 5 DEBDHM O=[N+]([O-])c1cnc(Oc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC001593487429 1077011407 /nfs/dbraw/zinc/01/14/07/1077011407.db2.gz NJCGVMNZQAKPDH-UHFFFAOYSA-N -1 3 302.225 2.101 20 5 DEBDHM C[C@H]1C[C@@H](CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCO1 ZINC001609156340 1077776245 /nfs/dbraw/zinc/77/62/45/1077776245.db2.gz GKTPPVCIUXKWOV-UWVGGRQHSA-N -1 3 318.337 2.002 20 5 DEBDHM C[C@H]1C[C@@H](CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCO1 ZINC001609156340 1077776246 /nfs/dbraw/zinc/77/62/46/1077776246.db2.gz GKTPPVCIUXKWOV-UWVGGRQHSA-N -1 3 318.337 2.002 20 5 DEBDHM C[C@H]1C[C@H](CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCO1 ZINC001609156341 1077776590 /nfs/dbraw/zinc/77/65/90/1077776590.db2.gz GKTPPVCIUXKWOV-VHSXEESVSA-N -1 3 318.337 2.002 20 5 DEBDHM C[C@H]1C[C@H](CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCO1 ZINC001609156341 1077776594 /nfs/dbraw/zinc/77/65/94/1077776594.db2.gz GKTPPVCIUXKWOV-VHSXEESVSA-N -1 3 318.337 2.002 20 5 DEBDHM CN(CCC(F)(F)F)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609274567 1077823315 /nfs/dbraw/zinc/82/33/15/1077823315.db2.gz VGSDCUSIDQCKKJ-UHFFFAOYSA-N -1 3 316.243 2.164 20 5 DEBDHM CN(CCC(F)(F)F)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609274567 1077823319 /nfs/dbraw/zinc/82/33/19/1077823319.db2.gz VGSDCUSIDQCKKJ-UHFFFAOYSA-N -1 3 316.243 2.164 20 5 DEBDHM CN(Cc1cccs1)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001609281066 1077825177 /nfs/dbraw/zinc/82/51/77/1077825177.db2.gz YRPIXWXTDKWYBU-UHFFFAOYSA-N -1 3 316.346 2.473 20 5 DEBDHM CN(Cc1cccs1)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609281066 1077825180 /nfs/dbraw/zinc/82/51/80/1077825180.db2.gz YRPIXWXTDKWYBU-UHFFFAOYSA-N -1 3 316.346 2.473 20 5 DEBDHM O=[N+]([O-])c1ccccc1OCc1cc(-c2nnn[n-]2)ccc1F ZINC001609603610 1077881908 /nfs/dbraw/zinc/88/19/08/1077881908.db2.gz QFQZMBAIMMPBKU-UHFFFAOYSA-N -1 3 315.264 2.493 20 5 DEBDHM O=[N+]([O-])c1ccccc1OCc1cc(-c2nn[n-]n2)ccc1F ZINC001609603610 1077881910 /nfs/dbraw/zinc/88/19/10/1077881910.db2.gz QFQZMBAIMMPBKU-UHFFFAOYSA-N -1 3 315.264 2.493 20 5 DEBDHM O=[N+]([O-])c1cnc(Sc2cccc(O)c2)c(-c2nnn[n-]2)c1 ZINC001609604525 1077882339 /nfs/dbraw/zinc/88/23/39/1077882339.db2.gz UWXFIWSLRBDIFS-UHFFFAOYSA-N -1 3 316.302 2.027 20 5 DEBDHM COC(=O)c1csc(Sc2cc[n-]c(=O)c2[N+](=O)[O-])n1 ZINC001655509727 1080002568 /nfs/dbraw/zinc/00/25/68/1080002568.db2.gz SVWYSVQHWXIRIS-UHFFFAOYSA-N -1 3 313.316 2.090 20 5 DEBDHM O=c1[n-]cc(-c2nnc(Cc3ccc(F)cc3)o2)cc1[N+](=O)[O-] ZINC001251914046 1142540813 /nfs/dbraw/zinc/54/08/13/1142540813.db2.gz QXGLXEDBUNBTIQ-UHFFFAOYSA-N -1 3 316.248 2.475 20 5 DEBDHM O=C(CN[C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccc([O-])cc1 ZINC001254588632 1143269800 /nfs/dbraw/zinc/26/98/00/1143269800.db2.gz GKCNPYAGYYYSIH-AWEZNQCLSA-N -1 3 312.325 2.240 20 5 DEBDHM Cc1cc(N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)ccc1[N+](=O)[O-] ZINC001307226712 1147409543 /nfs/dbraw/zinc/40/95/43/1147409543.db2.gz XACHIJVRZCWTFS-GFCCVEGCSA-N -1 3 315.333 2.090 20 5 DEBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000613471855 362123825 /nfs/dbraw/zinc/12/38/25/362123825.db2.gz ZQXQCNMZBCIZDC-SSDOTTSWSA-N -1 3 304.393 2.289 20 5 DEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCC1(C)C ZINC000286692665 219112061 /nfs/dbraw/zinc/11/20/61/219112061.db2.gz LWSAOECMPCXKIA-GFCCVEGCSA-N -1 3 314.363 2.070 20 5 DEBDHM COc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c([O-])c1 ZINC000135427497 355865299 /nfs/dbraw/zinc/86/52/99/355865299.db2.gz NCWMYSQSVQVPFH-UHFFFAOYSA-N -1 3 321.264 2.283 20 5 DEBDHM CCCC[C@H](C(=O)[O-])N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000581672057 357227883 /nfs/dbraw/zinc/22/78/83/357227883.db2.gz RZEROVDNPGNSBY-OAHLLOKOSA-N -1 3 321.377 2.360 20 5 DEBDHM C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CCN(C2CC2)C1 ZINC000581729036 357238848 /nfs/dbraw/zinc/23/88/48/357238848.db2.gz HBPKHEFECMPOSB-LLVKDONJSA-N -1 3 319.361 2.214 20 5 DEBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C1(C(C)C)CC1 ZINC000590166515 357523602 /nfs/dbraw/zinc/52/36/02/357523602.db2.gz ONHLCOIJRMSUBC-UHFFFAOYSA-N -1 3 314.363 2.070 20 5 DEBDHM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C1CC1 ZINC000594858189 358349951 /nfs/dbraw/zinc/34/99/51/358349951.db2.gz RMXBDWSMVMBXON-SECBINFHSA-N -1 3 304.393 2.432 20 5 DEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCc1ccco1 ZINC000595375893 358434819 /nfs/dbraw/zinc/43/48/19/358434819.db2.gz FEQLVUJKEZPLIX-UHFFFAOYSA-N -1 3 324.358 2.407 20 5 DEBDHM O=c1[n-]ccc(N2CC[C@@H](Oc3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC000596193694 358635799 /nfs/dbraw/zinc/63/57/99/358635799.db2.gz MQGIWXDRDXERBF-GFCCVEGCSA-N -1 3 319.292 2.492 20 5 DEBDHM CC1(C)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H](C(F)(F)F)O1 ZINC000596240679 358649807 /nfs/dbraw/zinc/64/98/07/358649807.db2.gz DIQWATMJFYEYKH-MRVPVSSYSA-N -1 3 321.255 2.242 20 5 DEBDHM O=c1[n-]ccc(N2CCC[C@@H](c3ccncc3)C2)c1[N+](=O)[O-] ZINC000596254601 358653269 /nfs/dbraw/zinc/65/32/69/358653269.db2.gz QTMXPIRTWRTKJH-GFCCVEGCSA-N -1 3 300.318 2.474 20 5 DEBDHM COc1cc(CNCc2cccnc2C)c([N+](=O)[O-])cc1[O-] ZINC000598996424 359378606 /nfs/dbraw/zinc/37/86/06/359378606.db2.gz QLIZXQWGAXOTKF-UHFFFAOYSA-N -1 3 303.318 2.302 20 5 DEBDHM CO[C@@]1(C(=O)[O-])CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000600675180 359796813 /nfs/dbraw/zinc/79/68/13/359796813.db2.gz JSEMVTGZJYXWSM-NHYWBVRUSA-N -1 3 308.334 2.140 20 5 DEBDHM O=[N+]([O-])c1ccc(SCCc2nnn[n-]2)cc1C(F)(F)F ZINC000603395668 360815816 /nfs/dbraw/zinc/81/58/16/360815816.db2.gz HXZDOEMYPOAHLO-UHFFFAOYSA-N -1 3 319.268 2.462 20 5 DEBDHM O=[N+]([O-])c1ccc(SCCc2nn[n-]n2)cc1C(F)(F)F ZINC000603395668 360815820 /nfs/dbraw/zinc/81/58/20/360815820.db2.gz HXZDOEMYPOAHLO-UHFFFAOYSA-N -1 3 319.268 2.462 20 5 DEBDHM O=[N+]([O-])c1ccc(C(F)(F)F)cc1SCCc1nnn[n-]1 ZINC001120456539 781944378 /nfs/dbraw/zinc/94/43/78/781944378.db2.gz QWNFOGSHVXKYIA-UHFFFAOYSA-N -1 3 319.268 2.462 20 5 DEBDHM O=[N+]([O-])c1ccc(C(F)(F)F)cc1SCCc1nn[n-]n1 ZINC001120456539 781944382 /nfs/dbraw/zinc/94/43/82/781944382.db2.gz QWNFOGSHVXKYIA-UHFFFAOYSA-N -1 3 319.268 2.462 20 5 DEBDHM CCOC(=O)c1ncc(NC(=O)c2c(C)cccc2[N+](=O)[O-])[n-]1 ZINC000619446932 363796782 /nfs/dbraw/zinc/79/67/82/363796782.db2.gz DTFLLDXJXADUML-UHFFFAOYSA-N -1 3 318.289 2.055 20 5 DEBDHM CCOC(=O)c1nc(NC(=O)c2c(C)cccc2[N+](=O)[O-])c[n-]1 ZINC000619446932 363796789 /nfs/dbraw/zinc/79/67/89/363796789.db2.gz DTFLLDXJXADUML-UHFFFAOYSA-N -1 3 318.289 2.055 20 5 DEBDHM COc1cc(C(=O)[N-]c2nc(C)ns2)cc([N+](=O)[O-])c1OC ZINC000266446510 205352849 /nfs/dbraw/zinc/35/28/49/205352849.db2.gz VOLIFCAGLXXUIH-UHFFFAOYSA-N -1 3 324.318 2.024 20 5 DEBDHM Cc1cc(S(=O)(=O)[N-]CCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000360846713 147395676 /nfs/dbraw/zinc/39/56/76/147395676.db2.gz RNBWNDLDYSRGTN-UHFFFAOYSA-N -1 3 312.269 2.134 20 5 DEBDHM CNC(=O)c1cc([N-]C(=O)c2ccc([N+](=O)[O-])o2)ccc1Cl ZINC000072012115 401701185 /nfs/dbraw/zinc/70/11/85/401701185.db2.gz XXNAJVNOBSLCNN-UHFFFAOYSA-N -1 3 323.692 2.453 20 5 DEBDHM CSCCC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000128699551 401788361 /nfs/dbraw/zinc/78/83/61/401788361.db2.gz OPAPUNHXPATQCW-UHFFFAOYSA-N -1 3 318.420 2.243 20 5 DEBDHM O=C(COc1cccc([N+](=O)[O-])c1)Nc1cccc([O-])c1F ZINC000128782563 401791399 /nfs/dbraw/zinc/79/13/99/401791399.db2.gz GYEWJLUNVXVWDE-UHFFFAOYSA-N -1 3 306.249 2.457 20 5 DEBDHM Cc1cc(Cl)cc(NC(=O)Cn2ccc([N+](=O)[O-])n2)c1[O-] ZINC000116979700 401866197 /nfs/dbraw/zinc/86/61/97/401866197.db2.gz BSHYYWXHYKPEAL-UHFFFAOYSA-N -1 3 310.697 2.097 20 5 DEBDHM O=C(Nc1ccc(Cl)cc1[O-])c1cc([N+](=O)[O-])c[nH]c1=O ZINC000153574122 402153871 /nfs/dbraw/zinc/15/38/71/402153871.db2.gz PZSZTJHRNFYHCV-UHFFFAOYSA-N -1 3 309.665 2.307 20 5 DEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CC=CCC2)c(F)c1 ZINC000069042681 402212536 /nfs/dbraw/zinc/21/25/36/402212536.db2.gz GDGBBKFQACAXPI-JTQLQIEISA-N -1 3 314.338 2.369 20 5 DEBDHM CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000162690972 402428928 /nfs/dbraw/zinc/42/89/28/402428928.db2.gz ASXFDJQWHYMXJI-UHFFFAOYSA-N -1 3 312.269 2.302 20 5 DEBDHM CC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000173215330 402689062 /nfs/dbraw/zinc/68/90/62/402689062.db2.gz XGLSVGGTGNVXEO-GFCCVEGCSA-N -1 3 321.358 2.419 20 5 DEBDHM CCOc1cc([O-])ccc1NC(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000192936124 402757643 /nfs/dbraw/zinc/75/76/43/402757643.db2.gz QXDFZLDJGFGDRR-UHFFFAOYSA-N -1 3 320.305 2.237 20 5 DEBDHM Cn1ncc([N+](=O)[O-])c1[N-]C(=O)c1csc(-c2ccoc2)n1 ZINC000184411966 402841985 /nfs/dbraw/zinc/84/19/85/402841985.db2.gz KQSZDQADVYJPCX-UHFFFAOYSA-N -1 3 319.302 2.297 20 5 DEBDHM O=C([N-]OC1CCCC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000272060036 402892758 /nfs/dbraw/zinc/89/27/58/402892758.db2.gz CAXHAOFZCORFNY-UHFFFAOYSA-N -1 3 317.301 2.453 20 5 DEBDHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000280792713 403037270 /nfs/dbraw/zinc/03/72/70/403037270.db2.gz QTTAOLZSGMFIHY-GMSGAONNSA-N -1 3 304.755 2.325 20 5 DEBDHM CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269501286 403144289 /nfs/dbraw/zinc/14/42/89/403144289.db2.gz WXFOCUDYKTYATE-UHFFFAOYSA-N -1 3 323.168 2.046 20 5 DEBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2F)cc1[N+](=O)[O-] ZINC000339129700 403364848 /nfs/dbraw/zinc/36/48/48/403364848.db2.gz VNEDCRBFUNUGFC-YUMQZZPRSA-N -1 3 308.356 2.134 20 5 DEBDHM O=C([N-]c1nncn1C1CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000285739540 403369325 /nfs/dbraw/zinc/36/93/25/403369325.db2.gz JIMMICYGWDWGLP-UHFFFAOYSA-N -1 3 307.697 2.427 20 5 DEBDHM Cc1ccc([O-])c(NC(=O)COc2ccc([N+](=O)[O-])cc2)n1 ZINC000345932718 403538618 /nfs/dbraw/zinc/53/86/18/403538618.db2.gz HYCKBQRARFHQLT-UHFFFAOYSA-N -1 3 303.274 2.021 20 5 DEBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000337839384 404270879 /nfs/dbraw/zinc/27/08/79/404270879.db2.gz LGWIMYRNADXSSH-NSHDSACASA-N -1 3 321.358 2.338 20 5 DEBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CC[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000344926166 404450507 /nfs/dbraw/zinc/45/05/07/404450507.db2.gz XZZVELRRBPTQOA-SFYZADRCSA-N -1 3 308.356 2.134 20 5 DEBDHM CC(C)(CO)ON=C([O-])Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000297571266 404570843 /nfs/dbraw/zinc/57/08/43/404570843.db2.gz WVECYZJZDMPFMX-UHFFFAOYSA-N -1 3 303.702 2.072 20 5 DEBDHM CC(C)(CO)O[N-]C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000297571266 404570853 /nfs/dbraw/zinc/57/08/53/404570853.db2.gz WVECYZJZDMPFMX-UHFFFAOYSA-N -1 3 303.702 2.072 20 5 DEBDHM Cc1c([N-]C(=O)c2ccc(S(C)(=O)=O)o2)cccc1[N+](=O)[O-] ZINC000353378326 404817859 /nfs/dbraw/zinc/81/78/59/404817859.db2.gz WAHACVUORAYIEI-UHFFFAOYSA-N -1 3 324.314 2.152 20 5 DEBDHM C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436910645 405160706 /nfs/dbraw/zinc/16/07/06/405160706.db2.gz QSTDXXIRDUDXGM-RYUDHWBXSA-N -1 3 321.377 2.151 20 5 DEBDHM C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])N1CCC(C)CC1 ZINC000436924819 405163345 /nfs/dbraw/zinc/16/33/45/405163345.db2.gz IIZLTTKTGCGBEO-LBPRGKRZSA-N -1 3 321.377 2.151 20 5 DEBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1 ZINC000416553230 405177000 /nfs/dbraw/zinc/17/70/00/405177000.db2.gz DOQWQYICJHFMRD-WOPDTQHZSA-N -1 3 310.375 2.370 20 5 DEBDHM COC(=O)c1cc([N-]c2nc3sccn3c2[N+](=O)[O-])cn1C ZINC000471733020 406113216 /nfs/dbraw/zinc/11/32/16/406113216.db2.gz AMHHUAGHORSVPI-UHFFFAOYSA-N -1 3 321.318 2.173 20 5 DEBDHM COc1ccnc2c([N-]C(=O)c3n[nH]cc3[N+](=O)[O-])cccc12 ZINC000535056063 406209506 /nfs/dbraw/zinc/20/95/06/406209506.db2.gz XBSTUGGIPPWITN-UHFFFAOYSA-N -1 3 313.273 2.127 20 5 DEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C2(CF)CCC2)c1C ZINC000572151747 406613673 /nfs/dbraw/zinc/61/36/73/406613673.db2.gz BDLXJXHHTKIYBK-UHFFFAOYSA-N -1 3 316.354 2.382 20 5 DEBDHM CSc1nnc(NC(=O)C=Cc2ccccc2[N+](=O)[O-])[n-]1 ZINC000491365101 406577047 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Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1cccs1 ZINC000048664759 281461926 /nfs/dbraw/zinc/46/19/26/281461926.db2.gz OVNXAQMSADVOEF-UHFFFAOYSA-N -1 3 312.372 2.443 20 5 DEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CC[C@H](F)C2)c1[N+](=O)[O-] ZINC000344925010 301556837 /nfs/dbraw/zinc/55/68/37/301556837.db2.gz XBGNWIVNEDJNPX-WDEREUQCSA-N -1 3 316.354 2.381 20 5 DEBDHM O=C(COc1cccc([N+](=O)[O-])c1)Nc1cc(F)ccc1[O-] ZINC000174878610 325741858 /nfs/dbraw/zinc/74/18/58/325741858.db2.gz HCHXTAQCPAINKO-UHFFFAOYSA-N -1 3 306.249 2.457 20 5 DEBDHM CCN1CCC(Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000574641516 326174070 /nfs/dbraw/zinc/17/40/70/326174070.db2.gz VTHUWPIMZCZBRS-UHFFFAOYSA-N -1 3 307.350 2.118 20 5 DEBDHM COC(=O)c1cnc(SCCc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000193535878 533708456 /nfs/dbraw/zinc/70/84/56/533708456.db2.gz SJWUXWJHFCMMOC-UHFFFAOYSA-N -1 3 307.331 2.439 20 5 DEBDHM CCC(C)(C)OCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000416525856 528592380 /nfs/dbraw/zinc/59/23/80/528592380.db2.gz QGQKGBJLQIRXCV-UHFFFAOYSA-N -1 3 316.379 2.078 20 5 DEBDHM CC(C)(C)c1ncc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cn1 ZINC000187021193 534920092 /nfs/dbraw/zinc/92/00/92/534920092.db2.gz DJZZOUHYYKJTHP-UHFFFAOYSA-N -1 3 317.305 2.035 20 5 DEBDHM COc1ccc(S(=O)(=O)[N-]CCC2(C)CC2)c([N+](=O)[O-])c1 ZINC000359807395 536875214 /nfs/dbraw/zinc/87/52/14/536875214.db2.gz RBBMZXRAHNFIHB-UHFFFAOYSA-N -1 3 314.363 2.072 20 5 DEBDHM CC[C@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCS1 ZINC000820994406 599102112 /nfs/dbraw/zinc/10/21/12/599102112.db2.gz HOTREBJKPJVXIX-JTQLQIEISA-N -1 3 320.378 2.107 20 5 DEBDHM CC[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCS1 ZINC000820994406 599102114 /nfs/dbraw/zinc/10/21/14/599102114.db2.gz HOTREBJKPJVXIX-JTQLQIEISA-N -1 3 320.378 2.107 20 5 DEBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1cccc(-c2nnn[n-]2)c1 ZINC000820461697 599354636 /nfs/dbraw/zinc/35/46/36/599354636.db2.gz PVCUCKNJBLIWJX-SECBINFHSA-N -1 3 311.305 2.343 20 5 DEBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1cccc(-c2nn[n-]n2)c1 ZINC000820461697 599354641 /nfs/dbraw/zinc/35/46/41/599354641.db2.gz PVCUCKNJBLIWJX-SECBINFHSA-N -1 3 311.305 2.343 20 5 DEBDHM COc1ccc([N+](=O)[O-])cc1CN[C@@](C)(CNC(=O)[O-])C1CC1 ZINC000829515354 605168528 /nfs/dbraw/zinc/16/85/28/605168528.db2.gz HQYXWCORENENFL-HNNXBMFYSA-N -1 3 323.349 2.129 20 5 DEBDHM C[C@@H](C[C@H]1CCOC1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820235042 607114314 /nfs/dbraw/zinc/11/43/14/607114314.db2.gz QJSMOMZEDNPOLB-VHSXEESVSA-N -1 3 318.337 2.002 20 5 DEBDHM C[C@@H](C[C@H]1CCOC1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820235042 607114316 /nfs/dbraw/zinc/11/43/16/607114316.db2.gz QJSMOMZEDNPOLB-VHSXEESVSA-N -1 3 318.337 2.002 20 5 DEBDHM C[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H]1C ZINC000824962367 608303002 /nfs/dbraw/zinc/30/30/02/608303002.db2.gz UCECIHZJTVAZRH-VHSXEESVSA-N -1 3 302.338 2.257 20 5 DEBDHM C[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H]1C ZINC000824962367 608303004 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307.335 2.046 20 5 DEBDHM O=[N+]([O-])c1ccc(S[C@@H]2CCCOC2)c(-c2nn[n-]n2)c1 ZINC000826499677 609579878 /nfs/dbraw/zinc/57/98/78/609579878.db2.gz SCQMJAFAURALFT-SECBINFHSA-N -1 3 307.335 2.046 20 5 DEBDHM CC(C)(/C=C/Cl)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000921510483 633060118 /nfs/dbraw/zinc/06/01/18/633060118.db2.gz WNHWQNRQZDKAOK-BQYQJAHWSA-N -1 3 304.755 2.404 20 5 DEBDHM O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])[N-]OCC(F)F ZINC000760148245 640160713 /nfs/dbraw/zinc/16/07/13/640160713.db2.gz RHMLPAOXEFKTGI-UHFFFAOYSA-N -1 3 324.667 2.330 20 5 DEBDHM Cc1sc(C(N)=O)cc1[N-]C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000769273856 641209422 /nfs/dbraw/zinc/20/94/22/641209422.db2.gz MONSZOAADFGDOO-UHFFFAOYSA-N -1 3 323.305 2.455 20 5 DEBDHM O=[N+]([O-])c1ccc([C@H](O)COc2ccc3c([O-])coc3c2)cc1 ZINC000776275525 642152173 /nfs/dbraw/zinc/15/21/73/642152173.db2.gz FNCOBRQUNCPROU-CQSZACIVSA-N -1 3 315.281 2.282 20 5 DEBDHM Cc1cc(C[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)no1 ZINC000777957078 642325359 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CN(C)c1cc(F)cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC001144768422 791025288 /nfs/dbraw/zinc/02/52/88/791025288.db2.gz BZNVLZWMAXTWSQ-UHFFFAOYSA-N -1 3 320.280 2.153 20 5 DEBDHM CC(=O)Nc1ccc(NCc2ncccc2[O-])cc1[N+](=O)[O-] ZINC001169733210 785344803 /nfs/dbraw/zinc/34/48/03/785344803.db2.gz PYWWKMKQMNBBSA-UHFFFAOYSA-N -1 3 302.290 2.266 20 5 DEBDHM CCC(CC)CC(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093808122 792602705 /nfs/dbraw/zinc/60/27/05/792602705.db2.gz LHHCZQDLUOHEOD-UHFFFAOYSA-N -1 3 310.354 2.050 20 5 DEBDHM Nc1cc2nc3ccccc3nc2cc1[N-]C(=O)c1ncon1 ZINC001192024065 797306544 /nfs/dbraw/zinc/30/65/44/797306544.db2.gz HVNUDFJWQNWGHC-UHFFFAOYSA-N -1 3 306.285 2.001 20 5 DEBDHM O=C1NCCOc2ccc(Nc3cc([O-])cc([N+](=O)[O-])c3)cc21 ZINC001201222374 798727318 /nfs/dbraw/zinc/72/73/18/798727318.db2.gz MADYRFITFGMKAG-UHFFFAOYSA-N -1 3 315.285 2.166 20 5 DEBDHM COc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(C(N)=O)c1 ZINC001201222866 798727563 /nfs/dbraw/zinc/72/75/63/798727563.db2.gz QHHJLLRDASVPRW-UHFFFAOYSA-N -1 3 303.274 2.152 20 5 DEBDHM COC(=O)c1cnc(=O)[n-]c1O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001229872045 801330827 /nfs/dbraw/zinc/33/08/27/801330827.db2.gz FNDYJFVKEAFTPI-QMMMGPOBSA-N -1 3 319.273 2.017 20 5 DEBDHM O=[N+]([O-])c1c([O-])ccnc1OC[C@@H]1CC[C@]2(CCCCO2)O1 ZINC001225666672 803000024 /nfs/dbraw/zinc/00/00/24/803000024.db2.gz KUTHOCYDWJONFU-HZMBPMFUSA-N -1 3 310.306 2.150 20 5 DEBDHM C[C@@H](Oc1[n-]c(=O)nc2cnncc21)c1cccc([N+](=O)[O-])c1 ZINC001226690219 803143678 /nfs/dbraw/zinc/14/36/78/803143678.db2.gz GARMLVHSVYFCCX-MRVPVSSYSA-N -1 3 313.273 2.174 20 5 DEBDHM C[C@@H](Oc1[n-]c(=O)nc2cnncc21)c1ccccc1[N+](=O)[O-] ZINC001226693826 803143873 /nfs/dbraw/zinc/14/38/73/803143873.db2.gz ZDYTVPGRVRJTKM-MRVPVSSYSA-N -1 3 313.273 2.174 20 5 DEBDHM CCOC(=O)[C@@H]1CCC[C@H]1Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228686030 803394433 /nfs/dbraw/zinc/39/44/33/803394433.db2.gz LLBJZAWOOPLBLU-NXEZZACHSA-N -1 3 310.306 2.114 20 5 DEBDHM C[C@H]1CCC[C@@H](CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001576156887 949462836 /nfs/dbraw/zinc/46/28/36/949462836.db2.gz XLOOQJGUFCPRFD-VHSXEESVSA-N -1 3 317.353 2.408 20 5 DEBDHM C[C@H]1CCC[C@@H](CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001576156887 949462850 /nfs/dbraw/zinc/46/28/50/949462850.db2.gz XLOOQJGUFCPRFD-VHSXEESVSA-N -1 3 317.353 2.408 20 5 DEBDHM C[C@@H](C(=O)[O-])N(C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162335696 959208825 /nfs/dbraw/zinc/20/88/25/959208825.db2.gz ZSVBUMZAIQWTPS-ZETCQYMHSA-N -1 3 317.139 2.262 20 5 DEBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@@H](CCO)CC2)c1 ZINC001602405118 1069628743 /nfs/dbraw/zinc/62/87/43/1069628743.db2.gz MSDZXALJVXJBSU-GFCCVEGCSA-N -1 3 322.361 2.278 20 5 DEBDHM CC(C)CCOCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001603283384 1069932730 /nfs/dbraw/zinc/93/27/30/1069932730.db2.gz VZBDGCDNUCVCCH-UHFFFAOYSA-N -1 3 320.353 2.250 20 5 DEBDHM CC(C)CCOCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001603283384 1069932738 /nfs/dbraw/zinc/93/27/38/1069932738.db2.gz VZBDGCDNUCVCCH-UHFFFAOYSA-N -1 3 320.353 2.250 20 5 DEBDHM C[C@@H]1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H](C)C1 ZINC001603879606 1070133165 /nfs/dbraw/zinc/13/31/65/1070133165.db2.gz BXPZPELCKOCCAN-FXPVBKGRSA-N -1 3 317.353 2.407 20 5 DEBDHM C[C@@H]1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@H](C)C1 ZINC001603879606 1070133172 /nfs/dbraw/zinc/13/31/72/1070133172.db2.gz BXPZPELCKOCCAN-FXPVBKGRSA-N -1 3 317.353 2.407 20 5 DEBDHM C[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001603888714 1070138482 /nfs/dbraw/zinc/13/84/82/1070138482.db2.gz ZRCMABYATQZYKO-DTWKUNHWSA-N -1 3 317.353 2.348 20 5 DEBDHM C[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001603888714 1070138484 /nfs/dbraw/zinc/13/84/84/1070138484.db2.gz ZRCMABYATQZYKO-DTWKUNHWSA-N -1 3 317.353 2.348 20 5 DEBDHM CCC1(C)CN(c2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001604085306 1070205204 /nfs/dbraw/zinc/20/52/04/1070205204.db2.gz ZHCPYNKFCMQDFC-UHFFFAOYSA-N -1 3 302.338 2.320 20 5 DEBDHM CCC1(C)CN(c2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001604085306 1070205209 /nfs/dbraw/zinc/20/52/09/1070205209.db2.gz ZHCPYNKFCMQDFC-UHFFFAOYSA-N -1 3 302.338 2.320 20 5 DEBDHM CC([C@@H](OC(=O)[C@H](C)CC(=O)[O-])c1ccccc1F)[N+](=O)[O-] ZINC001604095977 1070211522 /nfs/dbraw/zinc/21/15/22/1070211522.db2.gz JFFOUPCOZNJBFO-JRKPZEMJSA-N -1 3 313.281 2.186 20 5 DEBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(Cl)cnc2Cl)n1 ZINC001526940049 1070376363 /nfs/dbraw/zinc/37/63/63/1070376363.db2.gz PUHQOKLINXBWCG-UHFFFAOYSA-N -1 3 316.104 2.282 20 5 DEBDHM CCOCC(C)(C)CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604421738 1070376578 /nfs/dbraw/zinc/37/65/78/1070376578.db2.gz LDLNNLPSTSCNAF-UHFFFAOYSA-N -1 3 320.353 2.250 20 5 DEBDHM CCOCC(C)(C)CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001604421738 1070376596 /nfs/dbraw/zinc/37/65/96/1070376596.db2.gz LDLNNLPSTSCNAF-UHFFFAOYSA-N -1 3 320.353 2.250 20 5 DEBDHM CN(CCC(C)(C)C)c1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001604738321 1070482719 /nfs/dbraw/zinc/48/27/19/1070482719.db2.gz RMXMDICDLGSBBC-UHFFFAOYSA-N -1 3 319.369 2.230 20 5 DEBDHM CN(CCC(C)(C)C)c1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001604738321 1070482726 /nfs/dbraw/zinc/48/27/26/1070482726.db2.gz RMXMDICDLGSBBC-UHFFFAOYSA-N -1 3 319.369 2.230 20 5 DEBDHM CCN1CCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C[C@H]1C ZINC001605481423 1070730870 /nfs/dbraw/zinc/73/08/70/1070730870.db2.gz APMBUTWGBPZRJP-LLVKDONJSA-N -1 3 307.350 2.132 20 5 DEBDHM Cc1cc(N2CC[C@H](C(F)F)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605692182 1070847355 /nfs/dbraw/zinc/84/73/55/1070847355.db2.gz SJBPVDGHJVZDCX-QMMMGPOBSA-N -1 3 324.291 2.175 20 5 DEBDHM Cc1cc(N2CC[C@H](C(F)F)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605692182 1070847385 /nfs/dbraw/zinc/84/73/85/1070847385.db2.gz SJBPVDGHJVZDCX-QMMMGPOBSA-N -1 3 324.291 2.175 20 5 DEBDHM Cc1cc(Oc2cc(F)cc([N+](=O)[O-])c2)ncc1-c1nnn[n-]1 ZINC001605749672 1070897258 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/nfs/dbraw/zinc/10/42/67/1078104267.db2.gz LPNQAQUYKIRCGN-UHFFFAOYSA-N -1 3 303.274 2.270 20 5 DEBDHM O=c1cc(CNc2ncc([N+](=O)[O-])cc2F)nc(C2CC2)[n-]1 ZINC001612913101 1078114252 /nfs/dbraw/zinc/11/42/52/1078114252.db2.gz PRMRKDJTKIXKKA-UHFFFAOYSA-N -1 3 305.269 2.114 20 5 DEBDHM CSc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cn1 ZINC001546335502 1068592385 /nfs/dbraw/zinc/59/23/85/1068592385.db2.gz YPMDKGJBXPUQPS-UHFFFAOYSA-N -1 3 306.303 2.065 20 5 DEBDHM O=c1[n-]ccc(N2CCc3ccc([N+](=O)[O-])cc3C2)c1[N+](=O)[O-] ZINC001642393960 1078752779 /nfs/dbraw/zinc/75/27/79/1078752779.db2.gz KCLDVKXRMGKXLI-UHFFFAOYSA-N -1 3 316.273 2.166 20 5 DEBDHM COc1ccc(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1F ZINC001559096488 1075113290 /nfs/dbraw/zinc/11/32/90/1075113290.db2.gz NCZNKRQYCDBMHP-UHFFFAOYSA-N -1 3 307.281 2.498 20 5 DEBDHM Cn1nc(C(F)(F)F)cc1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001559275918 1075117497 /nfs/dbraw/zinc/11/74/97/1075117497.db2.gz ZLTUBPVFZAPVCG-UHFFFAOYSA-N -1 3 317.227 2.060 20 5 DEBDHM CC(C)(C)OCCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001589197890 1076479342 /nfs/dbraw/zinc/47/93/42/1076479342.db2.gz SUMACKSUGGNLOV-UHFFFAOYSA-N -1 3 320.353 2.392 20 5 DEBDHM CC(C)(C)OCCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001589197890 1076479343 /nfs/dbraw/zinc/47/93/43/1076479343.db2.gz SUMACKSUGGNLOV-UHFFFAOYSA-N -1 3 320.353 2.392 20 5 DEBDHM CC(C)C[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001589572137 1076498958 /nfs/dbraw/zinc/49/89/58/1076498958.db2.gz MMLXFZDYCNMKKB-JTQLQIEISA-N -1 3 317.353 2.042 20 5 DEBDHM CC(C)C[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001589572137 1076498961 /nfs/dbraw/zinc/49/89/61/1076498961.db2.gz MMLXFZDYCNMKKB-JTQLQIEISA-N -1 3 317.353 2.042 20 5 DEBDHM C[C@@H](Cc1ccco1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589902486 1076527678 /nfs/dbraw/zinc/52/76/78/1076527678.db2.gz GAYDQFURLINJSQ-VIFPVBQESA-N -1 3 314.305 2.411 20 5 DEBDHM C[C@@H](Cc1ccco1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589902486 1076527680 /nfs/dbraw/zinc/52/76/80/1076527680.db2.gz GAYDQFURLINJSQ-VIFPVBQESA-N -1 3 314.305 2.411 20 5 DEBDHM C[C@@H]1CCC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590253912 1076600710 /nfs/dbraw/zinc/60/07/10/1076600710.db2.gz QBSAHNDJLQRZBL-PSASIEDQSA-N -1 3 303.326 2.161 20 5 DEBDHM C[C@@H]1CCC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590253912 1076600714 /nfs/dbraw/zinc/60/07/14/1076600714.db2.gz QBSAHNDJLQRZBL-PSASIEDQSA-N -1 3 303.326 2.161 20 5 DEBDHM C[C@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001590255308 1076602776 /nfs/dbraw/zinc/60/27/76/1076602776.db2.gz UTAJSSKSNBKYID-IUCAKERBSA-N -1 3 303.326 2.161 20 5 DEBDHM C[C@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001590255308 1076602778 /nfs/dbraw/zinc/60/27/78/1076602778.db2.gz UTAJSSKSNBKYID-IUCAKERBSA-N -1 3 303.326 2.161 20 5 DEBDHM C[C@@H]1[C@H](C)CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)[C@H]1C ZINC001590314627 1076610522 /nfs/dbraw/zinc/61/05/22/1076610522.db2.gz SYUGHYHBQKHLNG-BBBLOLIVSA-N -1 3 302.338 2.256 20 5 DEBDHM CCC(C)(C)CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590375821 1076617560 /nfs/dbraw/zinc/61/75/60/1076617560.db2.gz RELMISCYJONRSO-UHFFFAOYSA-N -1 3 305.342 2.408 20 5 DEBDHM CCC(C)(C)CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590375821 1076617561 /nfs/dbraw/zinc/61/75/61/1076617561.db2.gz RELMISCYJONRSO-UHFFFAOYSA-N -1 3 305.342 2.408 20 5 DEBDHM CN(Cc1cccs1)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591149523 1076713838 /nfs/dbraw/zinc/71/38/38/1076713838.db2.gz MEDYCHCJHXGNEY-UHFFFAOYSA-N -1 3 316.346 2.473 20 5 DEBDHM CN(Cc1cccs1)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591149523 1076713841 /nfs/dbraw/zinc/71/38/41/1076713841.db2.gz MEDYCHCJHXGNEY-UHFFFAOYSA-N -1 3 316.346 2.473 20 5 DEBDHM CSC(C)(C)CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591685197 1076771494 /nfs/dbraw/zinc/77/14/94/1076771494.db2.gz UCPBOWWAAJBWPK-UHFFFAOYSA-N -1 3 308.367 2.328 20 5 DEBDHM CS[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001591702447 1076776909 /nfs/dbraw/zinc/77/69/09/1076776909.db2.gz FLOHOLRISUUYDY-XWEPSHTISA-N -1 3 306.351 2.081 20 5 DEBDHM CS[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001591702447 1076776910 /nfs/dbraw/zinc/77/69/10/1076776910.db2.gz FLOHOLRISUUYDY-XWEPSHTISA-N -1 3 306.351 2.081 20 5 DEBDHM Cc1cc(N[C@H]2CCCOCC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592037074 1076836122 /nfs/dbraw/zinc/83/61/22/1076836122.db2.gz JICYTMSUMVZKEZ-JTQLQIEISA-N -1 3 318.337 2.064 20 5 DEBDHM Cc1cc(N[C@H]2CCCOCC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592037074 1076836130 /nfs/dbraw/zinc/83/61/30/1076836130.db2.gz JICYTMSUMVZKEZ-JTQLQIEISA-N -1 3 318.337 2.064 20 5 DEBDHM Nc1c([N+](=O)[O-])ccc(NCC2CCCCC2)c1-c1nnn[n-]1 ZINC001592757016 1076958072 /nfs/dbraw/zinc/95/80/72/1076958072.db2.gz GPYLHRYGMAIRFD-UHFFFAOYSA-N -1 3 317.353 2.349 20 5 DEBDHM Nc1c([N+](=O)[O-])ccc(NCC2CCCCC2)c1-c1nn[n-]n1 ZINC001592757016 1076958076 /nfs/dbraw/zinc/95/80/76/1076958076.db2.gz GPYLHRYGMAIRFD-UHFFFAOYSA-N -1 3 317.353 2.349 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC(c2ccccc2)C1 ZINC001593468856 1077006100 /nfs/dbraw/zinc/00/61/00/1077006100.db2.gz UBDXGPVEYPJMEQ-UHFFFAOYSA-N -1 3 322.328 2.379 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC(c2ccccc2)C1 ZINC001593468856 1077006105 /nfs/dbraw/zinc/00/61/05/1077006105.db2.gz UBDXGPVEYPJMEQ-UHFFFAOYSA-N -1 3 322.328 2.379 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC001593470849 1077007219 /nfs/dbraw/zinc/00/72/19/1077007219.db2.gz ONYPBRXJZFBOSV-UBHAPETDSA-N -1 3 300.322 2.375 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC001593470849 1077007225 /nfs/dbraw/zinc/00/72/25/1077007225.db2.gz ONYPBRXJZFBOSV-UBHAPETDSA-N -1 3 300.322 2.375 20 5 DEBDHM O=[N+]([O-])c1cc(NCC[C@H]2CC2(F)F)ccc1-c1nnn[n-]1 ZINC001593475244 1077009063 /nfs/dbraw/zinc/00/90/63/1077009063.db2.gz ZBWQUZVYTGVCHJ-ZETCQYMHSA-N -1 3 310.264 2.232 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1C[C@@H]2CCCC[C@@H]2C1 ZINC001593479884 1077009898 /nfs/dbraw/zinc/00/98/98/1077009898.db2.gz BKHSLUKGZPOYGU-PHIMTYICSA-N -1 3 314.349 2.401 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1C[C@@H]2CCCC[C@@H]2C1 ZINC001593479884 1077009903 /nfs/dbraw/zinc/00/99/03/1077009903.db2.gz BKHSLUKGZPOYGU-PHIMTYICSA-N -1 3 314.349 2.401 20 5 DEBDHM CCN(CC1CCC1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609223977 1077805899 /nfs/dbraw/zinc/80/58/99/1077805899.db2.gz WXYOOZBATKYHQT-UHFFFAOYSA-N -1 3 302.338 2.401 20 5 DEBDHM CCN(CC1CCC1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609223977 1077805901 /nfs/dbraw/zinc/80/59/01/1077805901.db2.gz WXYOOZBATKYHQT-UHFFFAOYSA-N -1 3 302.338 2.401 20 5 DEBDHM CO[C@H]([C@@H](C)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)C1CC1 ZINC001609309514 1077829126 /nfs/dbraw/zinc/82/91/26/1077829126.db2.gz QUAOAHMUBVYYEY-AMIZOPFISA-N -1 3 318.337 2.000 20 5 DEBDHM O=[N+]([O-])c1cc(NCCC2CCOCC2)ccc1-c1nnn[n-]1 ZINC001609601083 1077881087 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/nfs/dbraw/zinc/51/88/22/644518822.db2.gz XVQMFEJPHJTKJW-UHFFFAOYSA-N -1 3 316.741 2.264 20 5 DEBDHM COc1cccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1F ZINC000807702445 645978879 /nfs/dbraw/zinc/97/88/79/645978879.db2.gz VNOWYRFUVLIKST-UHFFFAOYSA-N -1 3 307.237 2.095 20 5 DEBDHM O=[N+]([O-])c1ccc(OCc2cc(F)ccc2-c2nnn[n-]2)cc1 ZINC000823645200 648461386 /nfs/dbraw/zinc/46/13/86/648461386.db2.gz PFUGTBYBZNCDPM-UHFFFAOYSA-N -1 3 315.264 2.493 20 5 DEBDHM O=[N+]([O-])c1ccc(OCc2cc(F)ccc2-c2nn[n-]n2)cc1 ZINC000823645200 648461388 /nfs/dbraw/zinc/46/13/88/648461388.db2.gz PFUGTBYBZNCDPM-UHFFFAOYSA-N -1 3 315.264 2.493 20 5 DEBDHM O=c1[n-]ccc(N2CCC[C@](O)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000858717690 685584999 /nfs/dbraw/zinc/58/49/99/685584999.db2.gz VSKHGLDEDLXKBV-MRXNPFEDSA-N -1 3 315.329 2.183 20 5 DEBDHM C[C@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc2O1 ZINC001136820977 790486183 /nfs/dbraw/zinc/48/61/83/790486183.db2.gz MRHCGDMSIMBACD-VIFPVBQESA-N -1 3 315.285 2.123 20 5 DEBDHM CCCCC(=O)NC[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001091310351 791094204 /nfs/dbraw/zinc/09/42/04/791094204.db2.gz SVTBDFDDCLXPGQ-PHIMTYICSA-N -1 3 322.365 2.192 20 5 DEBDHM CC(C)CCCCC(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093795802 792597056 /nfs/dbraw/zinc/59/70/56/792597056.db2.gz MYHFFKJEBPTEHY-UHFFFAOYSA-N -1 3 324.381 2.440 20 5 DEBDHM COc1cc(Oc2cc[n-]c(=O)c2[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC001186367443 796395598 /nfs/dbraw/zinc/39/55/98/796395598.db2.gz AUXBQZSHCPDCAH-UHFFFAOYSA-N -1 3 307.218 2.405 20 5 DEBDHM O=c1[nH][n-]cc1CCCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC001156280298 797965040 /nfs/dbraw/zinc/96/50/40/797965040.db2.gz ZTXQGQRCXWBWMA-NSHDSACASA-N -1 3 313.317 2.067 20 5 DEBDHM Cn1c(Nc2cc([O-])cc([N+](=O)[O-])c2)nnc1C(F)(F)F ZINC001199801742 798541791 /nfs/dbraw/zinc/54/17/91/798541791.db2.gz IQKNZHKHIVKTPL-UHFFFAOYSA-N -1 3 303.200 2.191 20 5 DEBDHM COc1ccc(OC)c(CNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001162090282 799009401 /nfs/dbraw/zinc/00/94/01/799009401.db2.gz GBIXWVRPLXNCSG-UHFFFAOYSA-N -1 3 305.290 2.325 20 5 DEBDHM Cc1nc(O[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c(C)c(=O)[n-]1 ZINC001229683598 801305636 /nfs/dbraw/zinc/30/56/36/801305636.db2.gz IBZFSZHXXZRXCO-CYBMUJFWSA-N -1 3 301.302 2.253 20 5 DEBDHM O=[N+]([O-])c1cc(F)cnc1-c1noc(-c2cc(Cl)n[n-]2)n1 ZINC001213501029 801617048 /nfs/dbraw/zinc/61/70/48/801617048.db2.gz XULLDJIDCBHRTE-UHFFFAOYSA-N -1 3 310.632 2.222 20 5 DEBDHM C[C@@H](Oc1[n-]c(=O)nc2nccnc21)c1ccccc1[N+](=O)[O-] ZINC001226988855 803186386 /nfs/dbraw/zinc/18/63/86/803186386.db2.gz AQNLCIHXSLIMOT-MRVPVSSYSA-N -1 3 313.273 2.174 20 5 DEBDHM COc1cc(C(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)ncn1 ZINC001524347129 1069920772 /nfs/dbraw/zinc/92/07/72/1069920772.db2.gz HNUIZKYJNSMXMK-UHFFFAOYSA-N -1 3 306.253 2.093 20 5 DEBDHM CC1(C)C[C@@]1(C)CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001603765287 1070086570 /nfs/dbraw/zinc/08/65/70/1070086570.db2.gz PVFLEAFEAZBHDW-AWEZNQCLSA-N -1 3 317.353 2.205 20 5 DEBDHM CC1(C)C[C@@]1(C)CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001603765287 1070086580 /nfs/dbraw/zinc/08/65/80/1070086580.db2.gz PVFLEAFEAZBHDW-AWEZNQCLSA-N -1 3 317.353 2.205 20 5 DEBDHM C[C@@H]1CC(Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC001603861956 1070125326 /nfs/dbraw/zinc/12/53/26/1070125326.db2.gz OPJAYEJFHRXRON-RKDXNWHRSA-N -1 3 318.337 2.143 20 5 DEBDHM C[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001603888715 1070138370 /nfs/dbraw/zinc/13/83/70/1070138370.db2.gz ZRCMABYATQZYKO-IUCAKERBSA-N -1 3 317.353 2.348 20 5 DEBDHM C[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001603888715 1070138372 /nfs/dbraw/zinc/13/83/72/1070138372.db2.gz ZRCMABYATQZYKO-IUCAKERBSA-N -1 3 317.353 2.348 20 5 DEBDHM CCC[C@@H](C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604135215 1070239801 /nfs/dbraw/zinc/23/98/01/1070239801.db2.gz QYCKHOYWJNGHCC-SECBINFHSA-N -1 3 319.321 2.254 20 5 DEBDHM CCC[C@@H](C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604135215 1070239812 /nfs/dbraw/zinc/23/98/12/1070239812.db2.gz QYCKHOYWJNGHCC-SECBINFHSA-N -1 3 319.321 2.254 20 5 DEBDHM CCSCCCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604482732 1070408214 /nfs/dbraw/zinc/40/82/14/1070408214.db2.gz UAIVDNQFQWQYJP-UHFFFAOYSA-N -1 3 308.367 2.330 20 5 DEBDHM CCSCCCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001604482732 1070408220 /nfs/dbraw/zinc/40/82/20/1070408220.db2.gz UAIVDNQFQWQYJP-UHFFFAOYSA-N -1 3 308.367 2.330 20 5 DEBDHM CO[C@@H](CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)CC(C)C ZINC001605008547 1070567127 /nfs/dbraw/zinc/56/71/27/1070567127.db2.gz JDTSFGHPFHUSJJ-LLVKDONJSA-N -1 3 320.353 2.248 20 5 DEBDHM Cc1cc(NCc2nccs2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605739191 1070883941 /nfs/dbraw/zinc/88/39/41/1070883941.db2.gz DUKFYLNDZWVKNQ-UHFFFAOYSA-N -1 3 317.334 2.152 20 5 DEBDHM Cc1cc(NCc2nccs2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605739191 1070883968 /nfs/dbraw/zinc/88/39/68/1070883968.db2.gz DUKFYLNDZWVKNQ-UHFFFAOYSA-N -1 3 317.334 2.152 20 5 DEBDHM Cc1ccc(OCc2ccc(-c3nnn[n-]3)cn2)c([N+](=O)[O-])c1 ZINC001605879134 1070961020 /nfs/dbraw/zinc/96/10/20/1070961020.db2.gz BKDANLPIXDWLPZ-UHFFFAOYSA-N -1 3 312.289 2.057 20 5 DEBDHM Cc1ccc(OCc2ccc(-c3nn[n-]n3)cn2)c([N+](=O)[O-])c1 ZINC001605879134 1070961028 /nfs/dbraw/zinc/96/10/28/1070961028.db2.gz BKDANLPIXDWLPZ-UHFFFAOYSA-N -1 3 312.289 2.057 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001607082837 1071291765 /nfs/dbraw/zinc/29/17/65/1071291765.db2.gz UUGFNOBERSVJJO-INTQDDNPSA-N -1 3 300.322 2.375 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001607082837 1071291770 /nfs/dbraw/zinc/29/17/70/1071291770.db2.gz UUGFNOBERSVJJO-INTQDDNPSA-N -1 3 300.322 2.375 20 5 DEBDHM O=c1[n-]ccc(NC[C@@H](O)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC001642727984 1078767366 /nfs/dbraw/zinc/76/73/66/1078767366.db2.gz OKPSRVMUTMVVGI-LLVKDONJSA-N -1 3 309.709 2.494 20 5 DEBDHM Cc1nc(NCc2cc(=O)[n-]c(C3CC3)n2)ccc1[N+](=O)[O-] ZINC001643187688 1078789490 /nfs/dbraw/zinc/78/94/90/1078789490.db2.gz WCRUWLUYWRSZCS-UHFFFAOYSA-N -1 3 301.306 2.283 20 5 DEBDHM COc1nccc(C(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)n1 ZINC001518874445 1069021237 /nfs/dbraw/zinc/02/12/37/1069021237.db2.gz OLFSHBJZKPTRKE-UHFFFAOYSA-N -1 3 306.253 2.093 20 5 DEBDHM O=C1CCc2cc(Oc3cc[n-]c(=O)c3[N+](=O)[O-])ccc2N1 ZINC001559061529 1075112169 /nfs/dbraw/zinc/11/21/69/1075112169.db2.gz MZHVDJIQXIGAIG-UHFFFAOYSA-N -1 3 301.258 2.372 20 5 DEBDHM O=c1[n-]ccc(Nc2ccc(OCCCO)cc2)c1[N+](=O)[O-] ZINC001559186878 1075114781 /nfs/dbraw/zinc/11/47/81/1075114781.db2.gz YBJGOMWGCQQYNL-UHFFFAOYSA-N -1 3 305.290 2.200 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCCc1ccoc1 ZINC001582804352 1076185033 /nfs/dbraw/zinc/18/50/33/1076185033.db2.gz RBTWGJUHMOVBCI-UHFFFAOYSA-N -1 3 300.278 2.023 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCCc1ccoc1 ZINC001582804352 1076185041 /nfs/dbraw/zinc/18/50/41/1076185041.db2.gz RBTWGJUHMOVBCI-UHFFFAOYSA-N -1 3 300.278 2.023 20 5 DEBDHM CC1(C)CO[C@H](CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001590111405 1076565495 /nfs/dbraw/zinc/56/54/95/1076565495.db2.gz QYIKGSOYUPUBRQ-JTQLQIEISA-N -1 3 318.337 2.002 20 5 DEBDHM CC1(C)CO[C@H](CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001590111405 1076565497 /nfs/dbraw/zinc/56/54/97/1076565497.db2.gz QYIKGSOYUPUBRQ-JTQLQIEISA-N -1 3 318.337 2.002 20 5 DEBDHM C[C@@H]1C[C@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCS1 ZINC001590205768 1076582504 /nfs/dbraw/zinc/58/25/04/1076582504.db2.gz FMYRZLBARYUXTN-PSASIEDQSA-N -1 3 320.378 2.471 20 5 DEBDHM C[C@@H]1C[C@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCS1 ZINC001590205768 1076582508 /nfs/dbraw/zinc/58/25/08/1076582508.db2.gz FMYRZLBARYUXTN-PSASIEDQSA-N -1 3 320.378 2.471 20 5 DEBDHM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590220101 1076588258 /nfs/dbraw/zinc/58/82/58/1076588258.db2.gz RLLFNCCHTNTLQC-LSKIRQOJSA-N -1 3 314.349 2.479 20 5 DEBDHM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590220101 1076588263 /nfs/dbraw/zinc/58/82/63/1076588263.db2.gz RLLFNCCHTNTLQC-LSKIRQOJSA-N -1 3 314.349 2.479 20 5 DEBDHM C[C@@H]1CCCCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001590254104 1076600537 /nfs/dbraw/zinc/60/05/37/1076600537.db2.gz JRAFEAXHWZKGFH-SNVBAGLBSA-N -1 3 302.338 2.401 20 5 DEBDHM C[C@@H]1CCCCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001590254104 1076600540 /nfs/dbraw/zinc/60/05/40/1076600540.db2.gz JRAFEAXHWZKGFH-SNVBAGLBSA-N -1 3 302.338 2.401 20 5 DEBDHM CC[C@@H](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)OC ZINC001590399470 1076619545 /nfs/dbraw/zinc/61/95/45/1076619545.db2.gz GFPNUBCNYWNRFW-NOZJJQNGSA-N -1 3 320.353 2.248 20 5 DEBDHM CC[C@@H](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)OC ZINC001590399470 1076619546 /nfs/dbraw/zinc/61/95/46/1076619546.db2.gz GFPNUBCNYWNRFW-NOZJJQNGSA-N -1 3 320.353 2.248 20 5 DEBDHM CCC(CC)(CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])OC ZINC001590428613 1076626361 /nfs/dbraw/zinc/62/63/61/1076626361.db2.gz NQOUTCNJFAXOOX-UHFFFAOYSA-N -1 3 320.353 2.392 20 5 DEBDHM CCC(CC)(CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])OC ZINC001590428613 1076626363 /nfs/dbraw/zinc/62/63/63/1076626363.db2.gz NQOUTCNJFAXOOX-UHFFFAOYSA-N -1 3 320.353 2.392 20 5 DEBDHM CC[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC001590504394 1076643083 /nfs/dbraw/zinc/64/30/83/1076643083.db2.gz IDQWPNUPSJAZBC-MWLCHTKSSA-N -1 3 318.337 2.144 20 5 DEBDHM CC[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC001590504394 1076643085 /nfs/dbraw/zinc/64/30/85/1076643085.db2.gz IDQWPNUPSJAZBC-MWLCHTKSSA-N -1 3 318.337 2.144 20 5 DEBDHM CC[C@@H]1CCC[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590508744 1076643813 /nfs/dbraw/zinc/64/38/13/1076643813.db2.gz PKDWOABUNXVRTK-NXEZZACHSA-N -1 3 317.353 2.408 20 5 DEBDHM CC[C@@H]1CCC[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590508744 1076643814 /nfs/dbraw/zinc/64/38/14/1076643814.db2.gz PKDWOABUNXVRTK-NXEZZACHSA-N -1 3 317.353 2.408 20 5 DEBDHM CCOC(C)(C)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590780270 1076674782 /nfs/dbraw/zinc/67/47/82/1076674782.db2.gz AAGMCLYFKHNZCO-UHFFFAOYSA-N -1 3 306.326 2.002 20 5 DEBDHM CCOC(C)(C)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590780270 1076674784 /nfs/dbraw/zinc/67/47/84/1076674784.db2.gz AAGMCLYFKHNZCO-UHFFFAOYSA-N -1 3 306.326 2.002 20 5 DEBDHM CN(C(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC001590995202 1076701723 /nfs/dbraw/zinc/70/17/23/1076701723.db2.gz ZAJFPTVBULODAP-UHFFFAOYSA-N -1 3 324.300 2.052 20 5 DEBDHM CN(C(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC001590995202 1076701725 /nfs/dbraw/zinc/70/17/25/1076701725.db2.gz ZAJFPTVBULODAP-UHFFFAOYSA-N -1 3 324.300 2.052 20 5 DEBDHM CO[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)CC(C)C ZINC001591328350 1076724338 /nfs/dbraw/zinc/72/43/38/1076724338.db2.gz BJIOZZVQPPPTHQ-LLVKDONJSA-N -1 3 320.353 2.248 20 5 DEBDHM CO[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)CC(C)C ZINC001591328350 1076724342 /nfs/dbraw/zinc/72/43/42/1076724342.db2.gz BJIOZZVQPPPTHQ-LLVKDONJSA-N -1 3 320.353 2.248 20 5 DEBDHM Cc1c(OCc2cc(-c3nnn[n-]3)ccn2)cccc1[N+](=O)[O-] ZINC001591831410 1076790175 /nfs/dbraw/zinc/79/01/75/1076790175.db2.gz VSLUBYHKZDNPPJ-UHFFFAOYSA-N -1 3 312.289 2.057 20 5 DEBDHM Cc1c(OCc2cc(-c3nn[n-]n3)ccn2)cccc1[N+](=O)[O-] ZINC001591831410 1076790184 /nfs/dbraw/zinc/79/01/84/1076790184.db2.gz VSLUBYHKZDNPPJ-UHFFFAOYSA-N -1 3 312.289 2.057 20 5 DEBDHM Cc1cc(NC[C@H]2CC[C@H](C)O2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592045122 1076836844 /nfs/dbraw/zinc/83/68/44/1076836844.db2.gz XDARQOBRYVFXIY-VHSXEESVSA-N -1 3 318.337 2.063 20 5 DEBDHM Cc1cc(NC[C@H]2CC[C@H](C)O2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592045122 1076836848 /nfs/dbraw/zinc/83/68/48/1076836848.db2.gz XDARQOBRYVFXIY-VHSXEESVSA-N -1 3 318.337 2.063 20 5 DEBDHM Cc1cc(NCc2ccns2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592053034 1076839498 /nfs/dbraw/zinc/83/94/98/1076839498.db2.gz IOVQABFSBITFBT-UHFFFAOYSA-N -1 3 317.334 2.152 20 5 DEBDHM Cc1cc(NCc2ccns2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592053034 1076839502 /nfs/dbraw/zinc/83/95/02/1076839502.db2.gz IOVQABFSBITFBT-UHFFFAOYSA-N -1 3 317.334 2.152 20 5 DEBDHM Cc1ccc(NC(=O)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC001592181171 1076869747 /nfs/dbraw/zinc/86/97/47/1076869747.db2.gz XFQHRNHWXXJNMB-UHFFFAOYSA-N -1 3 324.300 2.336 20 5 DEBDHM Cc1ccc(NC(=O)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC001592181171 1076869749 /nfs/dbraw/zinc/86/97/49/1076869749.db2.gz XFQHRNHWXXJNMB-UHFFFAOYSA-N -1 3 324.300 2.336 20 5 DEBDHM Cc1coc(Sc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC001592307683 1076894292 /nfs/dbraw/zinc/89/42/92/1076894292.db2.gz MJEQRFDXSYIPKY-UHFFFAOYSA-N -1 3 304.291 2.223 20 5 DEBDHM Cc1coc(Sc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC001592307683 1076894300 /nfs/dbraw/zinc/89/43/00/1076894300.db2.gz MJEQRFDXSYIPKY-UHFFFAOYSA-N -1 3 304.291 2.223 20 5 DEBDHM Cc1csc(NC(=O)CCC(C)(C)[N+](=O)[O-])c1-c1nnn[n-]1 ZINC001592315915 1076895759 /nfs/dbraw/zinc/89/57/59/1076895759.db2.gz GRQZHJKGVWZUSB-UHFFFAOYSA-N -1 3 324.366 2.011 20 5 DEBDHM Cc1csc(NC(=O)CCC(C)(C)[N+](=O)[O-])c1-c1nn[n-]n1 ZINC001592315915 1076895763 /nfs/dbraw/zinc/89/57/63/1076895763.db2.gz GRQZHJKGVWZUSB-UHFFFAOYSA-N -1 3 324.366 2.011 20 5 DEBDHM Cc1ncccc1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001592416876 1076910725 /nfs/dbraw/zinc/91/07/25/1076910725.db2.gz BSGIWCDTBFYVDR-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1ncccc1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001592416876 1076910730 /nfs/dbraw/zinc/91/07/30/1076910730.db2.gz BSGIWCDTBFYVDR-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@@H]1CCC[C@H](F)C1 ZINC001593474837 1077007806 /nfs/dbraw/zinc/00/78/06/1077007806.db2.gz LGSRVRLTSGQAKJ-VHSXEESVSA-N -1 3 306.301 2.468 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@@H]1CCC[C@H](F)C1 ZINC001593474837 1077007811 /nfs/dbraw/zinc/00/78/11/1077007811.db2.gz LGSRVRLTSGQAKJ-VHSXEESVSA-N -1 3 306.301 2.468 20 5 DEBDHM O=[N+]([O-])c1cc(NC[C@H]2CCCCS2)ccc1-c1nnn[n-]1 ZINC001593474895 1077008800 /nfs/dbraw/zinc/00/88/00/1077008800.db2.gz VKOCAEKEVQUSBY-SNVBAGLBSA-N -1 3 320.378 2.473 20 5 DEBDHM O=[N+]([O-])c1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1F ZINC001593482372 1077010483 /nfs/dbraw/zinc/01/04/83/1077010483.db2.gz QLWQNGPDBVNPGG-UHFFFAOYSA-N -1 3 315.264 2.493 20 5 DEBDHM O=[N+]([O-])c1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1F ZINC001593482372 1077010488 /nfs/dbraw/zinc/01/04/88/1077010488.db2.gz QLWQNGPDBVNPGG-UHFFFAOYSA-N -1 3 315.264 2.493 20 5 DEBDHM O=C(Nc1cncc2ccccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001598352569 1077110417 /nfs/dbraw/zinc/11/04/17/1077110417.db2.gz ZGDWURPMZSBIJF-UHFFFAOYSA-N -1 3 310.269 2.496 20 5 DEBDHM CC(C)OCCCN(C)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609101415 1077762243 /nfs/dbraw/zinc/76/22/43/1077762243.db2.gz PJHDFPZLFQLJGB-UHFFFAOYSA-N -1 3 320.353 2.026 20 5 DEBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1cccnc1 ZINC001609126360 1077767559 /nfs/dbraw/zinc/76/75/59/1077767559.db2.gz QALZKUYIQJAPKY-SECBINFHSA-N -1 3 311.305 2.343 20 5 DEBDHM C[C@@H]1C[C@H](CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCO1 ZINC001609156339 1077776805 /nfs/dbraw/zinc/77/68/05/1077776805.db2.gz GKTPPVCIUXKWOV-NXEZZACHSA-N -1 3 318.337 2.002 20 5 DEBDHM C[C@@H]1C[C@H](CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCO1 ZINC001609156339 1077776807 /nfs/dbraw/zinc/77/68/07/1077776807.db2.gz GKTPPVCIUXKWOV-NXEZZACHSA-N -1 3 318.337 2.002 20 5 DEBDHM C[C@@H]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001609161845 1077779264 /nfs/dbraw/zinc/77/92/64/1077779264.db2.gz VVBNSZMMKMDANE-BDAKNGLRSA-N -1 3 303.326 2.018 20 5 DEBDHM C[C@@H]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001609161845 1077779269 /nfs/dbraw/zinc/77/92/69/1077779269.db2.gz VVBNSZMMKMDANE-BDAKNGLRSA-N -1 3 303.326 2.018 20 5 DEBDHM COCC[C@@H](C)CNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609320917 1077832723 /nfs/dbraw/zinc/83/27/23/1077832723.db2.gz GZTLSDJWTSZSBV-SECBINFHSA-N -1 3 320.353 2.168 20 5 DEBDHM COCC[C@@H](C)CNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609320917 1077832727 /nfs/dbraw/zinc/83/27/27/1077832727.db2.gz GZTLSDJWTSZSBV-SECBINFHSA-N -1 3 320.353 2.168 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@@H]1CCCSC1 ZINC001609600892 1077881460 /nfs/dbraw/zinc/88/14/60/1077881460.db2.gz IVWWZDVCFITPDE-SECBINFHSA-N -1 3 306.351 2.082 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@@H]1CCCSC1 ZINC001609600892 1077881462 /nfs/dbraw/zinc/88/14/62/1077881462.db2.gz IVWWZDVCFITPDE-SECBINFHSA-N -1 3 306.351 2.082 20 5 DEBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2cccn3ccnc23)no1 ZINC001212936907 1087891788 /nfs/dbraw/zinc/89/17/88/1087891788.db2.gz CWRYPADAUZQVHV-UHFFFAOYSA-N -1 3 324.256 2.060 20 5 DEBDHM O=C(Nc1cccnc1C1CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001304779892 1147359253 /nfs/dbraw/zinc/35/92/53/1147359253.db2.gz AYQQKDWLSDBMJA-UHFFFAOYSA-N -1 3 300.274 2.220 20 5 DEBDHM CC(=O)N(C)c1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001307166264 1147402700 /nfs/dbraw/zinc/40/27/00/1147402700.db2.gz NSNYNUNMPGKITE-UHFFFAOYSA-N -1 3 316.317 2.290 20 5 DEBDHM CCOc1cnc(C(=O)[N-]c2ccc(OC)cc2[N+](=O)[O-])cn1 ZINC000614464158 362388474 /nfs/dbraw/zinc/38/84/74/362388474.db2.gz LXGGAJYICNIUMQ-UHFFFAOYSA-N -1 3 318.289 2.044 20 5 DEBDHM CCc1nn(C)cc1NCc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000091070418 355578211 /nfs/dbraw/zinc/57/82/11/355578211.db2.gz LMWNQUWPVYRTKD-UHFFFAOYSA-N -1 3 306.322 2.217 20 5 DEBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC3(C2)CCOCC3)c1 ZINC000593739546 358134329 /nfs/dbraw/zinc/13/43/29/358134329.db2.gz AKENARRFFMCTRH-UHFFFAOYSA-N -1 3 320.345 2.296 20 5 DEBDHM COC[C@]1(C(=O)[O-])CCCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000593752591 358137295 /nfs/dbraw/zinc/13/72/95/358137295.db2.gz QVYRJYPSJLEBBZ-WBMJQRKESA-N -1 3 322.361 2.469 20 5 DEBDHM CC1([N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CCC1 ZINC000594765418 358334261 /nfs/dbraw/zinc/33/42/61/358334261.db2.gz MXAHAPCVWKADIO-UHFFFAOYSA-N -1 3 321.358 2.364 20 5 DEBDHM CN(C)c1ccccc1CN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596234481 358648546 /nfs/dbraw/zinc/64/85/46/358648546.db2.gz KMKYWFYXGPKNNC-UHFFFAOYSA-N -1 3 302.334 2.398 20 5 DEBDHM COC(=O)C(C)(C)n1cc([N-]c2nccc(C)c2[N+](=O)[O-])cn1 ZINC000596518318 358705065 /nfs/dbraw/zinc/70/50/65/358705065.db2.gz JQOSWDPQGGCVFE-UHFFFAOYSA-N -1 3 319.321 2.146 20 5 DEBDHM COc1cc(C(=O)[N-]c2nnc(C)s2)cc([N+](=O)[O-])c1C ZINC000189222803 200366197 /nfs/dbraw/zinc/36/61/97/200366197.db2.gz YCGPVENTQPBLJG-UHFFFAOYSA-N -1 3 308.319 2.324 20 5 DEBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000444225273 238155925 /nfs/dbraw/zinc/15/59/25/238155925.db2.gz QNGVVAYIUFIRRG-APPZFPTMSA-N -1 3 304.393 2.432 20 5 DEBDHM O=C(Nc1ccc2ccccc2n1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444824870 238329562 /nfs/dbraw/zinc/32/95/62/238329562.db2.gz IJCWIHUYFBGVEY-UHFFFAOYSA-N -1 3 310.269 2.496 20 5 DEBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1ccccc1 ZINC000619472936 363807462 /nfs/dbraw/zinc/80/74/62/363807462.db2.gz PALOPQPHDHGOBP-UHFFFAOYSA-N -1 3 322.342 2.082 20 5 DEBDHM Cc1sc(S(=O)(=O)[N-]C2CC(C)(F)C2)cc1[N+](=O)[O-] ZINC000451631835 243237106 /nfs/dbraw/zinc/23/71/06/243237106.db2.gz MLJOZTOQQBAGOK-UHFFFAOYSA-N -1 3 308.356 2.134 20 5 DEBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000104763271 194036385 /nfs/dbraw/zinc/03/63/85/194036385.db2.gz YLSHLFASAPXBCW-GXSJLCMTSA-N -1 3 314.363 2.070 20 5 DEBDHM Cc1ccc(S(=O)(=O)[N-]c2cc(C)ncc2C)c([N+](=O)[O-])c1 ZINC000533467740 284786279 /nfs/dbraw/zinc/78/62/79/284786279.db2.gz WNFOUZAZCVFEQV-UHFFFAOYSA-N -1 3 321.358 2.138 20 5 DEBDHM C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269219882 207339581 /nfs/dbraw/zinc/33/95/81/207339581.db2.gz ZXMYKBWHSKARIP-VXGBXAGGSA-N -1 3 321.377 2.151 20 5 DEBDHM COC(=O)c1cnc(SCc2cc([N+](=O)[O-])ccc2OC)[n-]1 ZINC000361995039 133204303 /nfs/dbraw/zinc/20/43/03/133204303.db2.gz BDIVYMKMNNTTMO-UHFFFAOYSA-N -1 3 323.330 2.405 20 5 DEBDHM C[C@]1(C(=O)[O-])CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000564801185 292111424 /nfs/dbraw/zinc/11/14/24/292111424.db2.gz CUXPFSOYLMDYJM-HNNXBMFYSA-N -1 3 308.334 2.160 20 5 DEBDHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCc2ccc(F)cc21 ZINC000192191923 145072381 /nfs/dbraw/zinc/07/23/81/145072381.db2.gz MXSKTAVBEFUJRM-UHFFFAOYSA-N -1 3 303.249 2.037 20 5 DEBDHM COC(=O)c1ccnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000114444052 401799800 /nfs/dbraw/zinc/79/98/00/401799800.db2.gz OTXZCXCITUSBAR-UHFFFAOYSA-N -1 3 319.248 2.168 20 5 DEBDHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC000020479000 401824276 /nfs/dbraw/zinc/82/42/76/401824276.db2.gz ZUCNWBLIVSASJR-UHFFFAOYSA-N -1 3 310.273 2.027 20 5 DEBDHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000020479000 401824278 /nfs/dbraw/zinc/82/42/78/401824278.db2.gz ZUCNWBLIVSASJR-UHFFFAOYSA-N -1 3 310.273 2.027 20 5 DEBDHM Cc1c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000020479281 401824531 /nfs/dbraw/zinc/82/45/31/401824531.db2.gz VYGFWBMRCBRZDM-UHFFFAOYSA-N -1 3 324.300 2.336 20 5 DEBDHM Cc1c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000020479281 401824535 /nfs/dbraw/zinc/82/45/35/401824535.db2.gz VYGFWBMRCBRZDM-UHFFFAOYSA-N -1 3 324.300 2.336 20 5 DEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC1CCC1 ZINC000030360302 401862910 /nfs/dbraw/zinc/86/29/10/401862910.db2.gz MGSVQNCMRSCWCD-UHFFFAOYSA-N -1 3 304.755 2.327 20 5 DEBDHM O=C([N-]c1nc(-c2ccco2)cs1)c1n[nH]cc1[N+](=O)[O-] ZINC000136055628 401958653 /nfs/dbraw/zinc/95/86/53/401958653.db2.gz UKEXZCXACVJCSD-UHFFFAOYSA-N -1 3 305.275 2.287 20 5 DEBDHM CC(C)(C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000048666289 402005573 /nfs/dbraw/zinc/00/55/73/402005573.db2.gz MLMNDWFMIXXWRF-UHFFFAOYSA-N -1 3 304.343 2.448 20 5 DEBDHM Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc([N+](=O)[O-])c1 ZINC000122418246 402077457 /nfs/dbraw/zinc/07/74/57/402077457.db2.gz KPQDWCYTZROEPZ-UHFFFAOYSA-N -1 3 324.300 2.336 20 5 DEBDHM Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc([N+](=O)[O-])c1 ZINC000122418246 402077458 /nfs/dbraw/zinc/07/74/58/402077458.db2.gz KPQDWCYTZROEPZ-UHFFFAOYSA-N -1 3 324.300 2.336 20 5 DEBDHM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000194014545 402781195 /nfs/dbraw/zinc/78/11/95/402781195.db2.gz PWZYFLRZLXTIJV-NXEZZACHSA-N -1 3 316.379 2.316 20 5 DEBDHM Cc1ccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc1[N+](=O)[O-] ZINC000278150527 402860111 /nfs/dbraw/zinc/86/01/11/402860111.db2.gz SOWOGFBOXBVAME-MRVPVSSYSA-N -1 3 317.223 2.280 20 5 DEBDHM COc1ccc(S(=O)(=O)[N-]C2(C)CCCC2)c([N+](=O)[O-])c1 ZINC000299209824 403546875 /nfs/dbraw/zinc/54/68/75/403546875.db2.gz BSRXDGIBIISJCM-UHFFFAOYSA-N -1 3 314.363 2.214 20 5 DEBDHM CC[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000293861557 403584211 /nfs/dbraw/zinc/58/42/11/403584211.db2.gz AEYHBXXSPRZYKQ-NSHDSACASA-N -1 3 316.304 2.352 20 5 DEBDHM CN1CCC2(CCCN2C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000371360190 404457524 /nfs/dbraw/zinc/45/75/24/404457524.db2.gz CZAPRZCUFWDWCU-UHFFFAOYSA-N -1 3 319.361 2.001 20 5 DEBDHM CC[C@@H]1CCCCN1CCNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436923071 405162893 /nfs/dbraw/zinc/16/28/93/405162893.db2.gz AMVAGRTYNXEWFX-GFCCVEGCSA-N -1 3 321.377 2.295 20 5 DEBDHM CN(C)Cc1csc([N-]C(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000457292026 405782576 /nfs/dbraw/zinc/78/25/76/405782576.db2.gz NUIDOAGJCILKJH-UHFFFAOYSA-N -1 3 312.376 2.427 20 5 DEBDHM CC[C@H](C)[C@@H](N)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000423750226 405944647 /nfs/dbraw/zinc/94/46/47/405944647.db2.gz XGVVTBJTMNTDSO-QUBYGPBYSA-N -1 3 301.730 2.266 20 5 DEBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1c([O-])cccc1Cl ZINC000561399970 405924209 /nfs/dbraw/zinc/92/42/09/405924209.db2.gz AACZKTAAXSXCRA-UHFFFAOYSA-N -1 3 310.697 2.097 20 5 DEBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)C(C)(F)F ZINC000451074872 406040148 /nfs/dbraw/zinc/04/01/48/406040148.db2.gz YVVATAJZGAKQGM-MRVPVSSYSA-N -1 3 308.306 2.225 20 5 DEBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)C(F)F ZINC000451088786 406046687 /nfs/dbraw/zinc/04/66/87/406046687.db2.gz ZBLONZWAQMACTE-SECBINFHSA-N -1 3 308.306 2.225 20 5 DEBDHM Cc1ncc(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)c(=O)[n-]1 ZINC000569840004 406311113 /nfs/dbraw/zinc/31/11/13/406311113.db2.gz PLOUMPDQRDAPHQ-UHFFFAOYSA-N -1 3 315.333 2.285 20 5 DEBDHM CC(C)(C)n1cnc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)n1 ZINC000291441593 222391358 /nfs/dbraw/zinc/39/13/58/222391358.db2.gz YPWPHMAPXIQANJ-UHFFFAOYSA-N -1 3 307.285 2.333 20 5 DEBDHM COc1ccc([O-])c(C(=O)NCc2cccc([N+](=O)[O-])c2)c1 ZINC000194951310 424879945 /nfs/dbraw/zinc/87/99/45/424879945.db2.gz DJFAPOJBZMMLJY-UHFFFAOYSA-N -1 3 302.286 2.239 20 5 DEBDHM C[C@H]([N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCCCO1 ZINC000346419149 425004380 /nfs/dbraw/zinc/00/43/80/425004380.db2.gz PBOHFGLTFFBYIB-GWCFXTLKSA-N -1 3 318.333 3.014 20 5 DEBDHM O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NCc1ncccc1[O-] ZINC000491985642 269147341 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O=[N+]([O-])c1cccc(OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000738368100 598644071 /nfs/dbraw/zinc/64/40/71/598644071.db2.gz FBMIBYHFVLSCKP-UHFFFAOYSA-N -1 3 315.264 2.493 20 5 DEBDHM O=[N+]([O-])c1cccc(OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000738368100 598644073 /nfs/dbraw/zinc/64/40/73/598644073.db2.gz FBMIBYHFVLSCKP-UHFFFAOYSA-N -1 3 315.264 2.493 20 5 DEBDHM O=[N+]([O-])c1cnc(NC/C=C\c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000738374217 598794300 /nfs/dbraw/zinc/79/43/00/598794300.db2.gz LGHMXCVXNCIKAS-DAXSKMNVSA-N -1 3 323.316 2.295 20 5 DEBDHM O=[N+]([O-])c1cnc(NC/C=C\c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000738374217 598794302 /nfs/dbraw/zinc/79/43/02/598794302.db2.gz LGHMXCVXNCIKAS-DAXSKMNVSA-N -1 3 323.316 2.295 20 5 DEBDHM C[C@@H]1[C@H](C)SCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736304398 599305871 /nfs/dbraw/zinc/30/58/71/599305871.db2.gz VQXFMBPENFUEFY-BDAKNGLRSA-N -1 3 320.378 2.105 20 5 DEBDHM C[C@@H]1[C@H](C)SCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736304398 599305872 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O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCC1(C2CC2)CC1 ZINC000826497835 607736847 /nfs/dbraw/zinc/73/68/47/607736847.db2.gz WFJRTMWXSZNHBR-UHFFFAOYSA-N -1 3 300.322 2.377 20 5 DEBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CCOCC1 ZINC000820461436 606791544 /nfs/dbraw/zinc/79/15/44/606791544.db2.gz JWSDUCFGFUQOOI-VIFPVBQESA-N -1 3 318.337 2.002 20 5 DEBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CCOCC1 ZINC000820461436 606791545 /nfs/dbraw/zinc/79/15/45/606791545.db2.gz JWSDUCFGFUQOOI-VIFPVBQESA-N -1 3 318.337 2.002 20 5 DEBDHM O=[N+]([O-])c1cccnc1Sc1cccc(-c2nnn[n-]2)c1 ZINC000823648391 606945588 /nfs/dbraw/zinc/94/55/88/606945588.db2.gz VZVUMGVIZHQFDZ-UHFFFAOYSA-N -1 3 300.303 2.321 20 5 DEBDHM O=[N+]([O-])c1cccnc1Sc1cccc(-c2nn[n-]n2)c1 ZINC000823648391 606945589 /nfs/dbraw/zinc/94/55/89/606945589.db2.gz VZVUMGVIZHQFDZ-UHFFFAOYSA-N -1 3 300.303 2.321 20 5 DEBDHM CC1(C)C[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC000824789622 607821291 /nfs/dbraw/zinc/82/12/91/607821291.db2.gz IKYQHLMFAYBGJM-SNVBAGLBSA-N -1 3 318.337 2.144 20 5 DEBDHM CC1(C)C[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC000824789622 607821292 /nfs/dbraw/zinc/82/12/92/607821292.db2.gz IKYQHLMFAYBGJM-SNVBAGLBSA-N -1 3 318.337 2.144 20 5 DEBDHM CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H]1CCCO1 ZINC000825146517 607904446 /nfs/dbraw/zinc/90/44/46/607904446.db2.gz CNSMBYSAZRQLNE-YPMHNXCESA-N -1 3 318.337 2.144 20 5 DEBDHM CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC000825146517 607904447 /nfs/dbraw/zinc/90/44/47/607904447.db2.gz CNSMBYSAZRQLNE-YPMHNXCESA-N -1 3 318.337 2.144 20 5 DEBDHM O=[N+]([O-])c1ccccc1N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826500886 607936069 /nfs/dbraw/zinc/93/60/69/607936069.db2.gz QJRCQAFMXIVORF-UHFFFAOYSA-N -1 3 308.301 2.469 20 5 DEBDHM O=[N+]([O-])c1ccccc1N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826500886 607936070 /nfs/dbraw/zinc/93/60/70/607936070.db2.gz QJRCQAFMXIVORF-UHFFFAOYSA-N -1 3 308.301 2.469 20 5 DEBDHM CC1(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CC1 ZINC000824784507 608158854 /nfs/dbraw/zinc/15/88/54/608158854.db2.gz VLOZQIVHIWRFHX-UHFFFAOYSA-N -1 3 322.712 2.167 20 5 DEBDHM CC1(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CC1 ZINC000824784507 608158857 /nfs/dbraw/zinc/15/88/57/608158857.db2.gz VLOZQIVHIWRFHX-UHFFFAOYSA-N -1 3 322.712 2.167 20 5 DEBDHM O=[N+]([O-])c1ccc2nc(N3CC=CCC3)cc(-c3nnn[n-]3)c2c1 ZINC000826499483 609430879 /nfs/dbraw/zinc/43/08/79/609430879.db2.gz KEJXKBUVSRCBCO-UHFFFAOYSA-N -1 3 323.316 2.089 20 5 DEBDHM O=[N+]([O-])c1ccc2nc(N3CC=CCC3)cc(-c3nn[n-]n3)c2c1 ZINC000826499483 609430880 /nfs/dbraw/zinc/43/08/80/609430880.db2.gz KEJXKBUVSRCBCO-UHFFFAOYSA-N -1 3 323.316 2.089 20 5 DEBDHM O=[N+]([O-])c1cccc([C@H](O)COc2ccc3c([O-])coc3c2)c1 ZINC000755313276 639540716 /nfs/dbraw/zinc/54/07/16/639540716.db2.gz SYHXDBDCXHFXSG-CQSZACIVSA-N -1 3 315.281 2.282 20 5 DEBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2F)cs1 ZINC000841563788 650516166 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CCOC(=O)c1cccc([N+](=O)[O-])c1NCc1ncccc1[O-] ZINC001169733479 785345003 /nfs/dbraw/zinc/34/50/03/785345003.db2.gz VDLUCVXFTKEIFF-UHFFFAOYSA-N -1 3 317.301 2.484 20 5 DEBDHM CC(C)(C)CC(=O)N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001097156061 787995505 /nfs/dbraw/zinc/99/55/05/787995505.db2.gz KTJGLVHIATZJFM-AOOOYVTPSA-N -1 3 322.365 2.191 20 5 DEBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CCCC1CC1 ZINC001101907573 793435475 /nfs/dbraw/zinc/43/54/75/793435475.db2.gz IHZDIWLZDILZMT-UHFFFAOYSA-N -1 3 322.365 2.146 20 5 DEBDHM O=C(Nc1cnn(C2CCCC2)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001184348765 796049147 /nfs/dbraw/zinc/04/91/47/796049147.db2.gz UHDGYFYLTRHFFG-UHFFFAOYSA-N -1 3 317.305 2.259 20 5 DEBDHM CS(=O)(=O)c1cccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201221396 798727294 /nfs/dbraw/zinc/72/72/94/798727294.db2.gz BCKXSILAHVUTNV-UHFFFAOYSA-N -1 3 308.315 2.448 20 5 DEBDHM CCc1cccnc1-c1noc(-c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC001212845009 799457400 /nfs/dbraw/zinc/45/74/00/799457400.db2.gz CYIBVJWJNZVOEW-UHFFFAOYSA-N -1 3 313.273 2.370 20 5 DEBDHM CC(C)Oc1cc(COc2nccc([O-])c2[N+](=O)[O-])ccn1 ZINC001225665268 802999364 /nfs/dbraw/zinc/99/93/64/802999364.db2.gz XJFMUXMDSZOIFW-UHFFFAOYSA-N -1 3 305.290 2.457 20 5 DEBDHM O=c1ccc(OC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n[n-]1 ZINC001227095830 803201303 /nfs/dbraw/zinc/20/13/03/803201303.db2.gz WDYDTKHCNPKPAQ-UHFFFAOYSA-N -1 3 316.317 2.138 20 5 DEBDHM COC[C@H](C)OC[C@H](C)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227743281 803274106 /nfs/dbraw/zinc/27/41/06/803274106.db2.gz KKYRFNKYKDGTNP-UWVGGRQHSA-N -1 3 309.322 2.290 20 5 DEBDHM COC[C@H](C)OC[C@H](C)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227743281 803274111 /nfs/dbraw/zinc/27/41/11/803274111.db2.gz KKYRFNKYKDGTNP-UWVGGRQHSA-N -1 3 309.322 2.290 20 5 DEBDHM Cc1[n-]c(=O)cc(OC[C@H]2Cc3ccccc3O2)c1[N+](=O)[O-] ZINC001228687200 803394118 /nfs/dbraw/zinc/39/41/18/803394118.db2.gz UQWPBWPFOQRTCJ-LLVKDONJSA-N -1 3 302.286 2.386 20 5 DEBDHM CCOC(=O)[C@H]1CCC[C@@H]1Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228686032 803394393 /nfs/dbraw/zinc/39/43/93/803394393.db2.gz LLBJZAWOOPLBLU-UWVGGRQHSA-N -1 3 310.306 2.114 20 5 DEBDHM COc1cc(CN2CC[C@@H](C(=O)[O-])[C@H](C)C2)ccc1[N+](=O)[O-] ZINC001594056698 958043281 /nfs/dbraw/zinc/04/32/81/958043281.db2.gz UWEHIMRMILLSCP-ZYHUDNBSSA-N -1 3 308.334 2.146 20 5 DEBDHM CC[C@@H](C)N(CC(=O)[O-])Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001594979518 982770468 /nfs/dbraw/zinc/77/04/68/982770468.db2.gz USBAJNRYSTXAHI-SECBINFHSA-N -1 3 314.313 2.428 20 5 DEBDHM C[C@@]1(NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC001594060648 997837432 /nfs/dbraw/zinc/83/74/32/997837432.db2.gz SVWBYSNWNCUQNG-GOEBONIOSA-N -1 3 320.345 2.340 20 5 DEBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1ccccn1 ZINC001603682077 1070042730 /nfs/dbraw/zinc/04/27/30/1070042730.db2.gz OBCFDVLVZHELDR-SECBINFHSA-N -1 3 311.305 2.343 20 5 DEBDHM C[C@@H](Nc1ncc([N+](=O)[O-])s1)c1ccc(-c2nnn[n-]2)cc1 ZINC001603688440 1070045187 /nfs/dbraw/zinc/04/51/87/1070045187.db2.gz RVQLOPMWAGTMJV-SSDOTTSWSA-N -1 3 317.334 2.405 20 5 DEBDHM C[C@@H](Nc1ncc([N+](=O)[O-])s1)c1ccc(-c2nn[n-]n2)cc1 ZINC001603688440 1070045209 /nfs/dbraw/zinc/04/52/09/1070045209.db2.gz RVQLOPMWAGTMJV-SSDOTTSWSA-N -1 3 317.334 2.405 20 5 DEBDHM CC([C@@H](OC(=O)[C@H](C)CC(=O)[O-])c1ccccc1F)[N+](=O)[O-] ZINC001604095981 1070211958 /nfs/dbraw/zinc/21/19/58/1070211958.db2.gz JFFOUPCOZNJBFO-VYUIOLGVSA-N -1 3 313.281 2.186 20 5 DEBDHM CC[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001604106599 1070225816 /nfs/dbraw/zinc/22/58/16/1070225816.db2.gz RVKZSIDXXUQSNC-SNVBAGLBSA-N -1 3 302.338 2.320 20 5 DEBDHM CC[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001604106599 1070225840 /nfs/dbraw/zinc/22/58/40/1070225840.db2.gz RVKZSIDXXUQSNC-SNVBAGLBSA-N -1 3 302.338 2.320 20 5 DEBDHM Cc1c(NC(=O)c2cccc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC001605498739 1070736172 /nfs/dbraw/zinc/73/61/72/1070736172.db2.gz JDBJOLPICNCPOG-UHFFFAOYSA-N -1 3 324.300 2.336 20 5 DEBDHM Cc1c(NC(=O)c2cccc(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC001605498739 1070736184 /nfs/dbraw/zinc/73/61/84/1070736184.db2.gz JDBJOLPICNCPOG-UHFFFAOYSA-N -1 3 324.300 2.336 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1Nc1cnn(C(F)F)c1 ZINC001607081625 1071291644 /nfs/dbraw/zinc/29/16/44/1071291644.db2.gz JHTSEODIXPNUHP-UHFFFAOYSA-N -1 3 322.235 2.110 20 5 DEBDHM O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]3CCC[C@@H]32)c(-c2nnn[n-]2)c1 ZINC001607081338 1071290145 /nfs/dbraw/zinc/29/01/45/1071290145.db2.gz BHDMEAHNQJIWIC-DFAYQTQMSA-N -1 3 300.322 2.375 20 5 DEBDHM O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]3CCC[C@@H]32)c(-c2nn[n-]n2)c1 ZINC001607081338 1071290150 /nfs/dbraw/zinc/29/01/50/1071290150.db2.gz BHDMEAHNQJIWIC-DFAYQTQMSA-N -1 3 300.322 2.375 20 5 DEBDHM O=[N+]([O-])c1cc(N[C@@H]2CCC[C@@H](F)C2)ccc1-c1nnn[n-]1 ZINC001607080503 1071290471 /nfs/dbraw/zinc/29/04/71/1071290471.db2.gz VEZODTRBBXYIIU-RKDXNWHRSA-N -1 3 306.301 2.468 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1Nc1cnn(C(F)F)c1 ZINC001607081625 1071291635 /nfs/dbraw/zinc/29/16/35/1071291635.db2.gz JHTSEODIXPNUHP-UHFFFAOYSA-N -1 3 322.235 2.110 20 5 DEBDHM O=C([N-]c1c(Cl)cncc1Cl)c1ccc([N+](=O)[O-])cn1 ZINC001532838483 1071734802 /nfs/dbraw/zinc/73/48/02/1071734802.db2.gz AXDSUSZYWAIGTG-UHFFFAOYSA-N -1 3 313.100 2.366 20 5 DEBDHM O=c1cc(CNc2ccc([N+](=O)[O-])cn2)nc(C2CCC2)[n-]1 ZINC001458518812 1058067679 /nfs/dbraw/zinc/06/76/79/1058067679.db2.gz VJLMWXOVDKRBBR-UHFFFAOYSA-N -1 3 301.306 2.365 20 5 DEBDHM COC(=O)c1[n-]cnc1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC001460018024 1058247164 /nfs/dbraw/zinc/24/71/64/1058247164.db2.gz VFBCQHXLCBLSRK-UHFFFAOYSA-N -1 3 324.680 2.010 20 5 DEBDHM COC(=O)c1nc[n-]c1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC001460018024 1058247185 /nfs/dbraw/zinc/24/71/85/1058247185.db2.gz VFBCQHXLCBLSRK-UHFFFAOYSA-N -1 3 324.680 2.010 20 5 DEBDHM CC(C)[C@@]1(C)C[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001463907167 1059044197 /nfs/dbraw/zinc/04/41/97/1059044197.db2.gz XGARMSWOJWGFSN-QWHCGFSZSA-N -1 3 316.354 2.447 20 5 DEBDHM Cc1cc(S(=O)(=O)[N-]C[C@H]2C=CCC2)c(F)cc1[N+](=O)[O-] ZINC001475625128 1061021101 /nfs/dbraw/zinc/02/11/01/1061021101.db2.gz MOGURVXLQDRORY-JTQLQIEISA-N -1 3 314.338 2.287 20 5 DEBDHM Cc1cc([N+](=O)[O-])c(F)c(C(=O)[N-]c2cccn(C)c2=O)c1F ZINC001616371757 1078131183 /nfs/dbraw/zinc/13/11/83/1078131183.db2.gz PGFXRNZRGIGHRF-UHFFFAOYSA-N -1 3 323.255 2.132 20 5 DEBDHM CCOc1nnc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[n-]1 ZINC001636063833 1078467618 /nfs/dbraw/zinc/46/76/18/1078467618.db2.gz NUYODEGCRIQZAV-UHFFFAOYSA-N -1 3 319.321 2.028 20 5 DEBDHM CCOc1nc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)n[n-]1 ZINC001636063833 1078467621 /nfs/dbraw/zinc/46/76/21/1078467621.db2.gz NUYODEGCRIQZAV-UHFFFAOYSA-N -1 3 319.321 2.028 20 5 DEBDHM CCOc1n[n-]c(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC001636063833 1078467623 /nfs/dbraw/zinc/46/76/23/1078467623.db2.gz NUYODEGCRIQZAV-UHFFFAOYSA-N -1 3 319.321 2.028 20 5 DEBDHM CC(C)c1ncc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)[nH]1 ZINC001639428176 1078612709 /nfs/dbraw/zinc/61/27/09/1078612709.db2.gz WCEOMHKLCIMYGT-UHFFFAOYSA-N -1 3 304.306 2.077 20 5 DEBDHM Nc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1[N+](=O)[O-] ZINC001556894374 1075048466 /nfs/dbraw/zinc/04/84/66/1075048466.db2.gz FBCJMAMGXWNRDL-UHFFFAOYSA-N -1 3 305.265 2.203 20 5 DEBDHM Cc1ccc(CN2CCC(c3n[n-]c(=O)o3)CC2)cc1[N+](=O)[O-] ZINC001559832871 1075128793 /nfs/dbraw/zinc/12/87/93/1075128793.db2.gz CSNXJLNUCZBFGY-UHFFFAOYSA-N -1 3 318.333 2.371 20 5 DEBDHM COc1cc(C(=O)[N-]c2nccc3c2cccc3[N+](=O)[O-])on1 ZINC001587003368 1076410176 /nfs/dbraw/zinc/41/01/76/1076410176.db2.gz WXXBAISLIOJHHX-UHFFFAOYSA-N -1 3 314.257 2.392 20 5 DEBDHM CC(C)OCCCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001589747228 1076508257 /nfs/dbraw/zinc/50/82/57/1076508257.db2.gz IOXWLSQSTMMOJV-UHFFFAOYSA-N -1 3 306.326 2.002 20 5 DEBDHM C[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CS1 ZINC001590207454 1076584559 /nfs/dbraw/zinc/58/45/59/1076584559.db2.gz RZFPKBWKUMLRTQ-IONNQARKSA-N -1 3 306.351 2.081 20 5 DEBDHM C[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CS1 ZINC001590207454 1076584566 /nfs/dbraw/zinc/58/45/66/1076584566.db2.gz RZFPKBWKUMLRTQ-IONNQARKSA-N -1 3 306.351 2.081 20 5 DEBDHM C/C=C(/CC)C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590354637 1076614429 /nfs/dbraw/zinc/61/44/29/1076614429.db2.gz USDSZKYHWMTOHZ-OQFOIZHKSA-N -1 3 317.305 2.174 20 5 DEBDHM C/C=C(/CC)C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590354637 1076614432 /nfs/dbraw/zinc/61/44/32/1076614432.db2.gz USDSZKYHWMTOHZ-OQFOIZHKSA-N -1 3 317.305 2.174 20 5 DEBDHM CC[C@@H](C)[C@@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])OC ZINC001590401522 1076620666 /nfs/dbraw/zinc/62/06/66/1076620666.db2.gz VWHXQYZORNEUKQ-NOZJJQNGSA-N -1 3 320.353 2.248 20 5 DEBDHM CC[C@@H](C)[C@@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])OC ZINC001590401522 1076620667 /nfs/dbraw/zinc/62/06/67/1076620667.db2.gz VWHXQYZORNEUKQ-NOZJJQNGSA-N -1 3 320.353 2.248 20 5 DEBDHM CC[C@H](C)[C@@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])OC ZINC001590401526 1076620767 /nfs/dbraw/zinc/62/07/67/1076620767.db2.gz VWHXQYZORNEUKQ-TVQRCGJNSA-N -1 3 320.353 2.248 20 5 DEBDHM CC[C@H](C)[C@@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])OC ZINC001590401526 1076620768 /nfs/dbraw/zinc/62/07/68/1076620768.db2.gz VWHXQYZORNEUKQ-TVQRCGJNSA-N -1 3 320.353 2.248 20 5 DEBDHM CC[C@@H](CSCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])OC ZINC001590450762 1076629766 /nfs/dbraw/zinc/62/97/66/1076629766.db2.gz YOOXEBPEFMIRSN-VIFPVBQESA-N -1 3 323.378 2.433 20 5 DEBDHM CC[C@@H](CSCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])OC ZINC001590450762 1076629767 /nfs/dbraw/zinc/62/97/67/1076629767.db2.gz YOOXEBPEFMIRSN-VIFPVBQESA-N -1 3 323.378 2.433 20 5 DEBDHM CO[C@](C)(CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])C1CC1 ZINC001591318811 1076721740 /nfs/dbraw/zinc/72/17/40/1076721740.db2.gz WQYIGFBCUJAQAG-CQSZACIVSA-N -1 3 318.337 2.002 20 5 DEBDHM CO[C@](C)(CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])C1CC1 ZINC001591318811 1076721742 /nfs/dbraw/zinc/72/17/42/1076721742.db2.gz WQYIGFBCUJAQAG-CQSZACIVSA-N -1 3 318.337 2.002 20 5 DEBDHM COc1cc(Oc2ncc([N+](=O)[O-])s2)ccc1-c1nnn[n-]1 ZINC001591554796 1076758927 /nfs/dbraw/zinc/75/89/27/1076758927.db2.gz LTCSLCDCHWJDDA-UHFFFAOYSA-N -1 3 320.290 2.032 20 5 DEBDHM COc1cc(Oc2ncc([N+](=O)[O-])s2)ccc1-c1nn[n-]n1 ZINC001591554796 1076758931 /nfs/dbraw/zinc/75/89/31/1076758931.db2.gz LTCSLCDCHWJDDA-UHFFFAOYSA-N -1 3 320.290 2.032 20 5 DEBDHM Cc1cc(N2CCCCCO2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592005959 1076829136 /nfs/dbraw/zinc/82/91/36/1076829136.db2.gz LYYWJIGVXOHTAR-UHFFFAOYSA-N -1 3 304.310 2.005 20 5 DEBDHM Cc1cc(N2CCCCCO2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592005959 1076829142 /nfs/dbraw/zinc/82/91/42/1076829142.db2.gz LYYWJIGVXOHTAR-UHFFFAOYSA-N -1 3 304.310 2.005 20 5 DEBDHM Cc1cnccc1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001592301719 1076892619 /nfs/dbraw/zinc/89/26/19/1076892619.db2.gz HQUJTGSMVCCEBO-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1cnccc1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001592301719 1076892624 /nfs/dbraw/zinc/89/26/24/1076892624.db2.gz HQUJTGSMVCCEBO-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM N#CN(Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])c1ccccc1 ZINC001592680644 1076952172 /nfs/dbraw/zinc/95/21/72/1076952172.db2.gz BIMBGQLWYBBHER-UHFFFAOYSA-N -1 3 321.300 2.263 20 5 DEBDHM N#CN(Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])c1ccccc1 ZINC001592680644 1076952175 /nfs/dbraw/zinc/95/21/75/1076952175.db2.gz BIMBGQLWYBBHER-UHFFFAOYSA-N -1 3 321.300 2.263 20 5 DEBDHM O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001593240814 1076983463 /nfs/dbraw/zinc/98/34/63/1076983463.db2.gz RDXWBRDQIZAMDB-UHFFFAOYSA-N -1 3 310.273 2.027 20 5 DEBDHM O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001593240814 1076983466 /nfs/dbraw/zinc/98/34/66/1076983466.db2.gz RDXWBRDQIZAMDB-UHFFFAOYSA-N -1 3 310.273 2.027 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC001593474089 1077007119 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O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1Oc1ccc2c[nH]nc2c1 ZINC001593482511 1077009976 /nfs/dbraw/zinc/00/99/76/1077009976.db2.gz DCAKKCWJLCLJBC-UHFFFAOYSA-N -1 3 323.272 2.444 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1Oc1ccc2c[nH]nc2c1 ZINC001593482511 1077009978 /nfs/dbraw/zinc/00/99/78/1077009978.db2.gz DCAKKCWJLCLJBC-UHFFFAOYSA-N -1 3 323.272 2.444 20 5 DEBDHM O=[N+]([O-])c1cccc(SCc2ccncc2-c2nnn[n-]2)c1 ZINC001593485342 1077011178 /nfs/dbraw/zinc/01/11/78/1077011178.db2.gz NWFQHJQYKBABQJ-UHFFFAOYSA-N -1 3 314.330 2.462 20 5 DEBDHM O=[N+]([O-])c1cccc(SCc2ccncc2-c2nn[n-]n2)c1 ZINC001593485342 1077011183 /nfs/dbraw/zinc/01/11/83/1077011183.db2.gz NWFQHJQYKBABQJ-UHFFFAOYSA-N -1 3 314.330 2.462 20 5 DEBDHM CO[C@@H]([C@@H](C)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)C1CC1 ZINC001609309516 1077828559 /nfs/dbraw/zinc/82/85/59/1077828559.db2.gz QUAOAHMUBVYYEY-OQPBUACISA-N -1 3 318.337 2.000 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CN1CCCC(F)(F)C1 ZINC001609600087 1077880962 /nfs/dbraw/zinc/88/09/62/1077880962.db2.gz PHZYOFKWKKZKNK-UHFFFAOYSA-N -1 3 324.291 2.006 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CN1CCCC(F)(F)C1 ZINC001609600087 1077880964 /nfs/dbraw/zinc/88/09/64/1077880964.db2.gz PHZYOFKWKKZKNK-UHFFFAOYSA-N -1 3 324.291 2.006 20 5 DEBDHM CCC[C@]1(CO)CCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001609957719 1077958146 /nfs/dbraw/zinc/95/81/46/1077958146.db2.gz OJKYFCMXKGRRLF-MRXNPFEDSA-N -1 3 322.361 2.420 20 5 DEBDHM CCC[C@@]1(CO)CCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001609957717 1077958179 /nfs/dbraw/zinc/95/81/79/1077958179.db2.gz OJKYFCMXKGRRLF-INIZCTEOSA-N -1 3 322.361 2.420 20 5 DEBDHM CN1CC[C@H](Oc2c([O-])cc(Br)cc2[N+](=O)[O-])C1 ZINC001234874909 1084224866 /nfs/dbraw/zinc/22/48/66/1084224866.db2.gz DGYMVLVBLUEQJP-QMMMGPOBSA-N -1 3 317.139 2.146 20 5 DEBDHM CC(C)c1n[nH]c(C(=O)NCc2ccc([O-])c(F)c2)c1[N+](=O)[O-] ZINC000269561832 186385193 /nfs/dbraw/zinc/38/51/93/186385193.db2.gz FSYBWVMBEQXWPN-UHFFFAOYSA-N -1 3 322.296 2.216 20 5 DEBDHM Cc1[nH]nc(C(=O)[N-]c2nc3ccccc3s2)c1[N+](=O)[O-] ZINC000064354422 354664683 /nfs/dbraw/zinc/66/46/83/354664683.db2.gz RPRRZQMZZMMRBV-UHFFFAOYSA-N -1 3 303.303 2.488 20 5 DEBDHM CC1(C(=O)[O-])CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000592399554 357872911 /nfs/dbraw/zinc/87/29/11/357872911.db2.gz VRTOXBOHTXMVFU-UHFFFAOYSA-N -1 3 308.334 2.160 20 5 DEBDHM O=C([O-])C[C@H]1CCCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000593290824 358049555 /nfs/dbraw/zinc/04/95/55/358049555.db2.gz RQSFIWZFLBGZAB-GFCCVEGCSA-N -1 3 308.334 2.303 20 5 DEBDHM COC[C@@]1(C(=O)[O-])CCCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000593752587 358136914 /nfs/dbraw/zinc/13/69/14/358136914.db2.gz QVYRJYPSJLEBBZ-BLLLJJGKSA-N -1 3 322.361 2.469 20 5 DEBDHM O=c1[n-]ccc(N2CCO[C@@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000596070903 358602855 /nfs/dbraw/zinc/60/28/55/358602855.db2.gz IEIDOMVISZNQFG-CYBMUJFWSA-N -1 3 319.292 2.412 20 5 DEBDHM CC[S@](=O)[C@@H]1CCC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596152072 358623808 /nfs/dbraw/zinc/62/38/08/358623808.db2.gz GXIBZFZGEXLPHK-QDXVKYEASA-N -1 3 313.379 2.187 20 5 DEBDHM C[C@]1(c2ccccc2)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596161729 358626578 /nfs/dbraw/zinc/62/65/78/358626578.db2.gz ZGVGFAWRRBYJOQ-MRXNPFEDSA-N -1 3 315.329 2.447 20 5 DEBDHM CO[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])Cc1ccccc1 ZINC000596249625 358651694 /nfs/dbraw/zinc/65/16/94/358651694.db2.gz IXJTVJLHTXERIB-LBPRGKRZSA-N -1 3 303.318 2.365 20 5 DEBDHM Cc1cc(S(=O)(=O)[N-]C2(C3CC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000601371608 360022533 /nfs/dbraw/zinc/02/25/33/360022533.db2.gz OJSFKKKXFFLDIO-UHFFFAOYSA-N -1 3 314.338 2.263 20 5 DEBDHM COc1cccc2c1O[C@@H](c1ccc([N+](=O)[O-])s1)[N-]C2=O ZINC000602761678 360540504 /nfs/dbraw/zinc/54/05/04/360540504.db2.gz SJHFGKIQOWQZDF-ZDUSSCGKSA-N -1 3 306.299 2.486 20 5 DEBDHM CS[C@H](C)C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000158033013 197237791 /nfs/dbraw/zinc/23/77/91/197237791.db2.gz MHVPGFMTBWUURN-SECBINFHSA-N -1 3 318.420 2.241 20 5 DEBDHM CC(C)(O)CON=C([O-])Nc1cccc([N+](=O)[O-])c1Cl ZINC000289540571 221053557 /nfs/dbraw/zinc/05/35/57/221053557.db2.gz DOPOGNNRYMDDDH-UHFFFAOYSA-N -1 3 303.702 2.072 20 5 DEBDHM CC(C)(O)CO[N-]C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289540571 221053558 /nfs/dbraw/zinc/05/35/58/221053558.db2.gz DOPOGNNRYMDDDH-UHFFFAOYSA-N -1 3 303.702 2.072 20 5 DEBDHM C[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000359939863 133153742 /nfs/dbraw/zinc/15/37/42/133153742.db2.gz OQKGOPGLBLZICH-VHSXEESVSA-N -1 3 316.354 2.448 20 5 DEBDHM O=c1[n-]cnc2c1CN(c1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC000301790898 296499411 /nfs/dbraw/zinc/49/94/11/296499411.db2.gz NULFLMXEEOLYRT-UHFFFAOYSA-N -1 3 306.709 2.307 20 5 DEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CC[C@H](F)C2)c1[N+](=O)[O-] ZINC000344925007 292087788 /nfs/dbraw/zinc/08/77/88/292087788.db2.gz XBGNWIVNEDJNPX-QWRGUYRKSA-N -1 3 316.354 2.381 20 5 DEBDHM C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000248604321 145161011 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DEBDHM CCOCC(C)(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000339012933 521671783 /nfs/dbraw/zinc/67/17/83/521671783.db2.gz XOOPEKPCIPNWGM-UHFFFAOYSA-N -1 3 322.408 2.058 20 5 DEBDHM O=C(Nc1ccc2c(c1)CCCO2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193508445 534840905 /nfs/dbraw/zinc/84/09/05/534840905.db2.gz JMACOJIKYSUSSR-UHFFFAOYSA-N -1 3 315.285 2.273 20 5 DEBDHM C[C@@H]1CC(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H](C)C1 ZINC000736222398 598856532 /nfs/dbraw/zinc/85/65/32/598856532.db2.gz CRVQKJUYJXABDF-IUCAKERBSA-N -1 3 317.353 2.407 20 5 DEBDHM C[C@@H]1CC(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H](C)C1 ZINC000736222398 598856533 /nfs/dbraw/zinc/85/65/33/598856533.db2.gz CRVQKJUYJXABDF-IUCAKERBSA-N -1 3 317.353 2.407 20 5 DEBDHM C[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000739030703 597152250 /nfs/dbraw/zinc/15/22/50/597152250.db2.gz DHZQWVXGESXYSH-MRVPVSSYSA-N -1 3 307.331 2.281 20 5 DEBDHM O=[N+]([O-])c1cccc(F)c1COc1ccc(-c2nn[n-]n2)cc1 ZINC000738370712 598733853 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323.312 2.467 20 5 DEBDHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CC2(C)C)c([N+](=O)[O-])s1 ZINC001621777714 1078181112 /nfs/dbraw/zinc/18/11/12/1078181112.db2.gz JFEFMIZEURFOGJ-MRVPVSSYSA-N -1 3 304.393 2.289 20 5 DEBDHM COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(O)cc1[O-] ZINC001633467695 1078406069 /nfs/dbraw/zinc/40/60/69/1078406069.db2.gz XFRZFEWVFIOTLD-UHFFFAOYSA-N -1 3 304.258 2.267 20 5 DEBDHM CN(C)C(=O)c1ccc(Oc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001639210806 1078600516 /nfs/dbraw/zinc/60/05/16/1078600516.db2.gz RAOHERZGZBLYNB-UHFFFAOYSA-N -1 3 303.274 2.190 20 5 DEBDHM CN(C)c1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1F ZINC001643117901 1078785409 /nfs/dbraw/zinc/78/54/09/1078785409.db2.gz CZSSDWCOQNZDBM-UHFFFAOYSA-N -1 3 320.280 2.153 20 5 DEBDHM O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1cc([O-])ccc1C(F)(F)F ZINC001644679126 1078855574 /nfs/dbraw/zinc/85/55/74/1078855574.db2.gz DMAUTMWJMHAODK-UHFFFAOYSA-N -1 3 316.195 2.295 20 5 DEBDHM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCNCC12CCCCC2 ZINC001580821879 1076003393 /nfs/dbraw/zinc/00/33/93/1076003393.db2.gz GDOGSMOEAXYJKX-UHFFFAOYSA-N -1 3 319.361 2.049 20 5 DEBDHM Nc1c([N+](=O)[O-])ccc(N[C@@H]2CCCC[C@@H]2F)c1-c1nnn[n-]1 ZINC001581909605 1076109174 /nfs/dbraw/zinc/10/91/74/1076109174.db2.gz LYUOXVGGNSJMCB-JGVFFNPUSA-N -1 3 321.316 2.050 20 5 DEBDHM Nc1c([N+](=O)[O-])ccc(N[C@@H]2CCCC[C@@H]2F)c1-c1nn[n-]n1 ZINC001581909605 1076109178 /nfs/dbraw/zinc/10/91/78/1076109178.db2.gz LYUOXVGGNSJMCB-JGVFFNPUSA-N -1 3 321.316 2.050 20 5 DEBDHM C[C@H]1CCC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590253914 1076601090 /nfs/dbraw/zinc/60/10/90/1076601090.db2.gz QBSAHNDJLQRZBL-WCBMZHEXSA-N -1 3 303.326 2.161 20 5 DEBDHM C[C@H]1CCC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590253914 1076601093 /nfs/dbraw/zinc/60/10/93/1076601093.db2.gz QBSAHNDJLQRZBL-WCBMZHEXSA-N -1 3 303.326 2.161 20 5 DEBDHM C[C@H]1OCC[C@@H]1SCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590335044 1076613696 /nfs/dbraw/zinc/61/36/96/1076613696.db2.gz GCTCAYPMDOESIA-PELKAZGASA-N -1 3 321.362 2.186 20 5 DEBDHM C[C@H]1OCC[C@@H]1SCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590335044 1076613698 /nfs/dbraw/zinc/61/36/98/1076613698.db2.gz GCTCAYPMDOESIA-PELKAZGASA-N -1 3 321.362 2.186 20 5 DEBDHM CCC[C@@H](CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])OC ZINC001590557157 1076651926 /nfs/dbraw/zinc/65/19/26/1076651926.db2.gz JBKYIEUNVIFGKM-JTQLQIEISA-N -1 3 306.326 2.002 20 5 DEBDHM CCC[C@@H](CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])OC ZINC001590557157 1076651928 /nfs/dbraw/zinc/65/19/28/1076651928.db2.gz JBKYIEUNVIFGKM-JTQLQIEISA-N -1 3 306.326 2.002 20 5 DEBDHM CCSCCCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590853622 1076685127 /nfs/dbraw/zinc/68/51/27/1076685127.db2.gz TXPJFJSNFGDGHI-UHFFFAOYSA-N -1 3 308.367 2.330 20 5 DEBDHM CO[C@H](CNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1)C(C)C ZINC001591330066 1076724962 /nfs/dbraw/zinc/72/49/62/1076724962.db2.gz VBWRYLLFFIBTHJ-CYBMUJFWSA-N -1 3 320.353 2.166 20 5 DEBDHM CO[C@H](CNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1)C(C)C ZINC001591330066 1076724968 /nfs/dbraw/zinc/72/49/68/1076724968.db2.gz VBWRYLLFFIBTHJ-CYBMUJFWSA-N -1 3 320.353 2.166 20 5 DEBDHM CO[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591467505 1076746332 /nfs/dbraw/zinc/74/63/32/1076746332.db2.gz MTXYXQJKMOQRJD-DGCLKSJQSA-N -1 3 318.337 2.144 20 5 DEBDHM CO[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591467505 1076746336 /nfs/dbraw/zinc/74/63/36/1076746336.db2.gz MTXYXQJKMOQRJD-DGCLKSJQSA-N -1 3 318.337 2.144 20 5 DEBDHM Cc1cc(N2CCC[C@@H](CF)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592005275 1076828850 /nfs/dbraw/zinc/82/88/50/1076828850.db2.gz MFAPOROTMXBVMD-JTQLQIEISA-N -1 3 320.328 2.269 20 5 DEBDHM Cc1cc(N2CCC[C@@H](CF)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592005275 1076828858 /nfs/dbraw/zinc/82/88/58/1076828858.db2.gz MFAPOROTMXBVMD-JTQLQIEISA-N -1 3 320.328 2.269 20 5 DEBDHM Cc1cc(N[C@@H](C)CCCCO)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592035007 1076834149 /nfs/dbraw/zinc/83/41/49/1076834149.db2.gz VNOLJKONXRDDKA-JTQLQIEISA-N -1 3 320.353 2.046 20 5 DEBDHM Cc1cc(N[C@@H](C)CCCCO)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592035007 1076834153 /nfs/dbraw/zinc/83/41/53/1076834153.db2.gz VNOLJKONXRDDKA-JTQLQIEISA-N -1 3 320.353 2.046 20 5 DEBDHM Cc1cc(S[C@@H]2CCCOC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592066800 1076843735 /nfs/dbraw/zinc/84/37/35/1076843735.db2.gz CINKKCUKCZCYSM-SECBINFHSA-N -1 3 321.362 2.354 20 5 DEBDHM Cc1cc(S[C@@H]2CCCOC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592066800 1076843741 /nfs/dbraw/zinc/84/37/41/1076843741.db2.gz CINKKCUKCZCYSM-SECBINFHSA-N -1 3 321.362 2.354 20 5 DEBDHM Cc1cccc(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001592230886 1076878836 /nfs/dbraw/zinc/87/88/36/1076878836.db2.gz TUMTVPGYXXVSEB-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1cccc(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001592230886 1076878841 /nfs/dbraw/zinc/87/88/41/1076878841.db2.gz TUMTVPGYXXVSEB-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1nc(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])cs1 ZINC001592361595 1076903704 /nfs/dbraw/zinc/90/37/04/1076903704.db2.gz WBYNPLSLQGUGLQ-UHFFFAOYSA-N -1 3 317.334 2.152 20 5 DEBDHM Cc1nc(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])cs1 ZINC001592361595 1076903707 /nfs/dbraw/zinc/90/37/07/1076903707.db2.gz WBYNPLSLQGUGLQ-UHFFFAOYSA-N -1 3 317.334 2.152 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NC[C@@H]1CCCS1 ZINC001593469363 1077005803 /nfs/dbraw/zinc/00/58/03/1077005803.db2.gz ZINXPUZQPKAJKU-ZETCQYMHSA-N -1 3 324.341 2.222 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NC[C@@H]1CCCS1 ZINC001593469363 1077005808 /nfs/dbraw/zinc/00/58/08/1077005808.db2.gz ZINXPUZQPKAJKU-ZETCQYMHSA-N -1 3 324.341 2.222 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@@H]1CCC[C@@H](F)C1 ZINC001593474832 1077008645 /nfs/dbraw/zinc/00/86/45/1077008645.db2.gz LGSRVRLTSGQAKJ-NXEZZACHSA-N -1 3 306.301 2.468 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@@H]1CCC[C@@H](F)C1 ZINC001593474832 1077008649 /nfs/dbraw/zinc/00/86/49/1077008649.db2.gz LGSRVRLTSGQAKJ-NXEZZACHSA-N -1 3 306.301 2.468 20 5 DEBDHM O=[N+]([O-])c1ccc(NCc2cccc(O)c2)c(-c2nnn[n-]2)c1 ZINC001593479236 1077010065 /nfs/dbraw/zinc/01/00/65/1077010065.db2.gz ZAWWIQFNUBNIMV-UHFFFAOYSA-N -1 3 312.289 2.093 20 5 DEBDHM O=[N+]([O-])c1ccc(NCc2cccc(O)c2)c(-c2nn[n-]n2)c1 ZINC001593479236 1077010067 /nfs/dbraw/zinc/01/00/67/1077010067.db2.gz ZAWWIQFNUBNIMV-UHFFFAOYSA-N -1 3 312.289 2.093 20 5 DEBDHM O=[N+]([O-])c1cccc(CSc2ccc(-c3nnn[n-]3)cn2)c1 ZINC001593484038 1077010755 /nfs/dbraw/zinc/01/07/55/1077010755.db2.gz PQBNNSNMJHONMH-UHFFFAOYSA-N -1 3 314.330 2.462 20 5 DEBDHM O=[N+]([O-])c1cccc(CSc2ccc(-c3nn[n-]n3)cn2)c1 ZINC001593484038 1077010760 /nfs/dbraw/zinc/01/07/60/1077010760.db2.gz PQBNNSNMJHONMH-UHFFFAOYSA-N -1 3 314.330 2.462 20 5 DEBDHM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC001601757655 1077448557 /nfs/dbraw/zinc/44/85/57/1077448557.db2.gz XJCIVYMLXKDGFG-RBZYPMLTSA-N -1 3 308.309 2.419 20 5 DEBDHM O=C([O-])/C=C\c1ccc(N[C@@H]2CN3CCC2CC3)c([N+](=O)[O-])c1 ZINC001601881809 1077469371 /nfs/dbraw/zinc/46/93/71/1077469371.db2.gz DXRBACVHGCGZME-CTGSTSKSSA-N -1 3 317.345 2.199 20 5 DEBDHM C[C@H](Cc1ccco1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609115775 1077765902 /nfs/dbraw/zinc/76/59/02/1077765902.db2.gz KTGQZCPSIHLSTM-SECBINFHSA-N -1 3 314.305 2.411 20 5 DEBDHM C[C@H](Cc1ccco1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609115775 1077765905 /nfs/dbraw/zinc/76/59/05/1077765905.db2.gz KTGQZCPSIHLSTM-SECBINFHSA-N -1 3 314.305 2.411 20 5 DEBDHM C[C@H]1CCSCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609169024 1077783870 /nfs/dbraw/zinc/78/38/70/1077783870.db2.gz AWGKJNYHTAHAAY-VIFPVBQESA-N -1 3 320.378 2.107 20 5 DEBDHM C[C@H]1CCSCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609169024 1077783872 /nfs/dbraw/zinc/78/38/72/1077783872.db2.gz AWGKJNYHTAHAAY-VIFPVBQESA-N -1 3 320.378 2.107 20 5 DEBDHM CO[C@@H](CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])CC(C)C ZINC001609311092 1077829061 /nfs/dbraw/zinc/82/90/61/1077829061.db2.gz STGFVMJWEMEGBX-LLVKDONJSA-N -1 3 320.353 2.248 20 5 DEBDHM CO[C@@H](CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])CC(C)C ZINC001609311092 1077829065 /nfs/dbraw/zinc/82/90/65/1077829065.db2.gz STGFVMJWEMEGBX-LLVKDONJSA-N -1 3 320.353 2.248 20 5 DEBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@H](F)C2)c(-c2nnn[n-]2)c1 ZINC001609601929 1077882053 /nfs/dbraw/zinc/88/20/53/1077882053.db2.gz IGHHVXMPNNHKAQ-DTWKUNHWSA-N -1 3 306.301 2.468 20 5 DEBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@H](F)C2)c(-c2nn[n-]n2)c1 ZINC001609601929 1077882056 /nfs/dbraw/zinc/88/20/56/1077882056.db2.gz IGHHVXMPNNHKAQ-DTWKUNHWSA-N -1 3 306.301 2.468 20 5 DEBDHM O=[N+]([O-])c1cccc(OCc2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001609602899 1077882661 /nfs/dbraw/zinc/88/26/61/1077882661.db2.gz NVGNPNYNFTVACD-UHFFFAOYSA-N -1 3 315.264 2.493 20 5 DEBDHM O=[N+]([O-])c1cccc(OCc2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001609602899 1077882664 /nfs/dbraw/zinc/88/26/64/1077882664.db2.gz NVGNPNYNFTVACD-UHFFFAOYSA-N -1 3 315.264 2.493 20 5 DEBDHM C[C@H](O)[C@H]1C[C@H](C)CCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001609857485 1077939268 /nfs/dbraw/zinc/93/92/68/1077939268.db2.gz ALHMPMZPLXKMRY-JRPNMDOOSA-N -1 3 322.361 2.274 20 5 DEBDHM O=c1[n-]ccc(NCc2ccc(OC(F)F)cn2)c1[N+](=O)[O-] ZINC001307111130 1147398341 /nfs/dbraw/zinc/39/83/41/1147398341.db2.gz YARIGHXHCSMLLT-UHFFFAOYSA-N -1 3 312.232 2.304 20 5 DEBDHM CC(C)(O)CON=C([O-])Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000278672093 214315523 /nfs/dbraw/zinc/31/55/23/214315523.db2.gz RAMRRVIBGXQXLE-UHFFFAOYSA-N -1 3 303.702 2.072 20 5 DEBDHM CC(C)(O)CO[N-]C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000278672093 214315524 /nfs/dbraw/zinc/31/55/24/214315524.db2.gz RAMRRVIBGXQXLE-UHFFFAOYSA-N -1 3 303.702 2.072 20 5 DEBDHM Cc1cc(Cl)cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)c1[O-] ZINC000172082379 198036634 /nfs/dbraw/zinc/03/66/34/198036634.db2.gz LPVRAHRCLUGXPP-UHFFFAOYSA-N -1 3 310.697 2.097 20 5 DEBDHM CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](C(=O)[O-])C(C)C ZINC000277214932 213372549 /nfs/dbraw/zinc/37/25/49/213372549.db2.gz HKZZLBXZGWWDGT-ZDUSSCGKSA-N -1 3 310.350 2.440 20 5 DEBDHM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC2(CC2)c2ccccc21 ZINC000172409332 198093163 /nfs/dbraw/zinc/09/31/63/198093163.db2.gz YCTFILCLYKTKGX-UHFFFAOYSA-N -1 3 311.297 2.387 20 5 DEBDHM O=C([N-]c1n[nH]c(-c2ccccn2)n1)c1csc([N+](=O)[O-])c1 ZINC000053528047 354437594 /nfs/dbraw/zinc/43/75/94/354437594.db2.gz YXVBDKHQFUVBNI-UHFFFAOYSA-N -1 3 316.302 2.089 20 5 DEBDHM COc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c([O-])c1 ZINC000135456963 355865668 /nfs/dbraw/zinc/86/56/68/355865668.db2.gz LRHUWZKQBQRGRD-UHFFFAOYSA-N -1 3 302.286 2.490 20 5 DEBDHM CCN1CCC[C@H](Nc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC000581491235 357196799 /nfs/dbraw/zinc/19/67/99/357196799.db2.gz KEWCTXNPLJDIBI-NSHDSACASA-N -1 3 307.350 2.498 20 5 DEBDHM CC1(C)C[C@@]1(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000595362045 358431664 /nfs/dbraw/zinc/43/16/64/358431664.db2.gz SKAUHLNGOFRTKA-GFCCVEGCSA-N -1 3 302.327 2.201 20 5 DEBDHM 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/nfs/dbraw/zinc/44/42/57/792444257.db2.gz BERBZDPSHYFKEF-UHFFFAOYSA-N -1 3 324.312 2.021 20 5 DEBDHM CCC(C)(C)CC(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093895221 792650010 /nfs/dbraw/zinc/65/00/10/792650010.db2.gz LNAQCINDZDRMPK-UHFFFAOYSA-N -1 3 310.354 2.050 20 5 DEBDHM CCCC(=O)N[C@H]1CC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001103627647 794165670 /nfs/dbraw/zinc/16/56/70/794165670.db2.gz AFMJPEWPDMZZHG-XYPYZODXSA-N -1 3 322.365 2.335 20 5 DEBDHM COC(=O)CC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC001187807928 796580699 /nfs/dbraw/zinc/58/06/99/796580699.db2.gz RZOPRXCVIOREIO-UHFFFAOYSA-N -1 3 309.322 2.231 20 5 DEBDHM CNc1ccc([N+](=O)[O-])cc1NC(=O)/C=C\c1cncc([O-])c1 ZINC001143093588 796801805 /nfs/dbraw/zinc/80/18/05/796801805.db2.gz XFGOJLXTEJCQDM-DJWKRKHSSA-N -1 3 314.301 2.389 20 5 DEBDHM Cc1noc(C2CC2)c1[N-]C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001152310547 797170507 /nfs/dbraw/zinc/17/05/07/797170507.db2.gz OTOZVZHJVMPUAT-UHFFFAOYSA-N -1 3 311.685 2.397 20 5 DEBDHM Cc1ncc(Nc2nc(Cl)cc(Cl)c2[N+](=O)[O-])c(=O)[n-]1 ZINC001162300801 799054251 /nfs/dbraw/zinc/05/42/51/799054251.db2.gz LUEIRUQAHIJYIN-ZCFIWIBFSA-N -1 3 316.104 2.107 20 5 DEBDHM O=c1[nH]ccc(NCCc2c(F)cc([O-])cc2F)c1[N+](=O)[O-] ZINC001164211373 799539560 /nfs/dbraw/zinc/53/95/60/799539560.db2.gz CBPRXZPEKOHIOD-UHFFFAOYSA-N -1 3 311.244 2.334 20 5 DEBDHM O=[N+]([O-])c1cc2[n-]c(O[C@@H]3COC[C@H]3F)nc2cc1Cl ZINC001233497664 802133956 /nfs/dbraw/zinc/13/39/56/802133956.db2.gz HDAHCZGHRVKHKO-LHLIQPBNSA-N -1 3 301.661 2.240 20 5 DEBDHM O=[N+]([O-])c1c([O-])ccnc1OC[C@H]1CC[C@]2(CCCCO2)O1 ZINC001225666675 802999128 /nfs/dbraw/zinc/99/91/28/802999128.db2.gz KUTHOCYDWJONFU-YGRLFVJLSA-N -1 3 310.306 2.150 20 5 DEBDHM O=c1nc2cccnc2c(O[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)[n-]1 ZINC001228000790 803304883 /nfs/dbraw/zinc/30/48/83/803304883.db2.gz ONXUWKSSFZJQSI-LBPRGKRZSA-N -1 3 324.296 2.185 20 5 DEBDHM Cc1[n-]c(=O)cc(O[C@@H](C)C(=O)OCCC(C)C)c1[N+](=O)[O-] ZINC001228689626 803395880 /nfs/dbraw/zinc/39/58/80/803395880.db2.gz UOJGQEUEZAWRFN-JTQLQIEISA-N -1 3 312.322 2.360 20 5 DEBDHM CC[C@@H](C)N(CC(=O)[O-])Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC001594979483 982770384 /nfs/dbraw/zinc/77/03/84/982770384.db2.gz SHLDWXCVYDVIKZ-SNVBAGLBSA-N -1 3 324.333 2.067 20 5 DEBDHM CN(CCc1ccccc1[N+](=O)[O-])C[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001598502429 992451909 /nfs/dbraw/zinc/45/19/09/992451909.db2.gz ZMRUOWLSLNUXBZ-JQWIXIFHSA-N -1 3 314.288 2.035 20 5 DEBDHM CC(C)[C@@H]1C[C@H]1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603386152 1069958213 /nfs/dbraw/zinc/95/82/13/1069958213.db2.gz JHQBFWZEKYFXBV-ONGXEEELSA-N -1 3 302.338 2.479 20 5 DEBDHM CC(C)[C@@H]1C[C@H]1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001603386152 1069958223 /nfs/dbraw/zinc/95/82/23/1069958223.db2.gz JHQBFWZEKYFXBV-ONGXEEELSA-N -1 3 302.338 2.479 20 5 DEBDHM C[C@H]1C[C@@H](CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCO1 ZINC001603849981 1070122034 /nfs/dbraw/zinc/12/20/34/1070122034.db2.gz AVRJJFJWWUKBRI-UWVGGRQHSA-N -1 3 318.337 2.002 20 5 DEBDHM C[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CS1 ZINC001603861572 1070124881 /nfs/dbraw/zinc/12/48/81/1070124881.db2.gz MGATUFONZQQCBK-APPZFPTMSA-N -1 3 306.351 2.081 20 5 DEBDHM CSc1ccnc([N-]C(=O)c2c(F)cccc2[N+](=O)[O-])n1 ZINC001527583474 1070510255 /nfs/dbraw/zinc/51/02/55/1070510255.db2.gz ZGJYPJIBKIARAC-UHFFFAOYSA-N -1 3 308.294 2.498 20 5 DEBDHM CS[C@H]1C[C@H](Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001605381705 1070695517 /nfs/dbraw/zinc/69/55/17/1070695517.db2.gz ZMJQNNSYTAANST-LJGSYFOKSA-N -1 3 324.341 2.220 20 5 DEBDHM CS[C@H]1C[C@H](Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001605381705 1070695520 /nfs/dbraw/zinc/69/55/20/1070695520.db2.gz ZMJQNNSYTAANST-LJGSYFOKSA-N -1 3 324.341 2.220 20 5 DEBDHM CN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@@H](CO)C(C)(C)C ZINC001606147483 1071051293 /nfs/dbraw/zinc/05/12/93/1071051293.db2.gz KQVUJNRAAZXYCY-ZDUSSCGKSA-N -1 3 310.350 2.132 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCc1ccc(O)cc1 ZINC001607082430 1071291179 /nfs/dbraw/zinc/29/11/79/1071291179.db2.gz PJPXAPZMTOYSNC-UHFFFAOYSA-N -1 3 312.289 2.093 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCc1ccc(O)cc1 ZINC001607082430 1071291184 /nfs/dbraw/zinc/29/11/84/1071291184.db2.gz PJPXAPZMTOYSNC-UHFFFAOYSA-N -1 3 312.289 2.093 20 5 DEBDHM O=C(Cc1ccc([O-])c(F)c1)NCCc1cccc([N+](=O)[O-])c1 ZINC001466595694 1059499715 /nfs/dbraw/zinc/49/97/15/1059499715.db2.gz XJIKLQATKNJFLU-UHFFFAOYSA-N -1 3 318.304 2.341 20 5 DEBDHM CCOC(=O)c1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001611866497 1078106573 /nfs/dbraw/zinc/10/65/73/1078106573.db2.gz PKISASJXPGQONJ-UHFFFAOYSA-N -1 3 317.301 2.484 20 5 DEBDHM CN(CCc1nc2ccccc2[nH]1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001612525285 1078111168 /nfs/dbraw/zinc/11/11/68/1078111168.db2.gz BODKUFRYUKOWQZ-UHFFFAOYSA-N -1 3 313.317 2.251 20 5 DEBDHM CNc1nccc(C(=O)Nc2cccc([O-])c2F)c1[N+](=O)[O-] ZINC001623168452 1078198590 /nfs/dbraw/zinc/19/85/90/1078198590.db2.gz HVGDAUTVMARDLI-UHFFFAOYSA-N -1 3 306.253 2.129 20 5 DEBDHM CC(C)Oc1ncccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001630282562 1078336480 /nfs/dbraw/zinc/33/64/80/1078336480.db2.gz OSRUVVJEGMSVEM-UHFFFAOYSA-N -1 3 318.289 2.130 20 5 DEBDHM CN(Cc1nc2ccccc2n1C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001642296013 1078748676 /nfs/dbraw/zinc/74/86/76/1078748676.db2.gz YRJDBUNNNSBFJX-UHFFFAOYSA-N -1 3 313.317 2.219 20 5 DEBDHM COc1cnc(C(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)nc1 ZINC001518873888 1069021182 /nfs/dbraw/zinc/02/11/82/1069021182.db2.gz MJFBOIOUWRNLBE-UHFFFAOYSA-N -1 3 306.253 2.093 20 5 DEBDHM CC(=O)Nc1ccccc1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001559120535 1075113010 /nfs/dbraw/zinc/11/30/10/1075113010.db2.gz DJXFPEKWURZALJ-UHFFFAOYSA-N -1 3 302.290 2.266 20 5 DEBDHM CC(C)[C@]1(C)C[C@@H]1Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589489883 1076491656 /nfs/dbraw/zinc/49/16/56/1076491656.db2.gz FDYYBCXDSFGGAI-GWCFXTLKSA-N -1 3 303.326 2.016 20 5 DEBDHM CC(C)[C@]1(C)C[C@@H]1Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589489883 1076491659 /nfs/dbraw/zinc/49/16/59/1076491659.db2.gz FDYYBCXDSFGGAI-GWCFXTLKSA-N -1 3 303.326 2.016 20 5 DEBDHM C[C@]1(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCCS1 ZINC001590134355 1076570802 /nfs/dbraw/zinc/57/08/02/1076570802.db2.gz WOZSUHYACJVUSZ-CYBMUJFWSA-N -1 3 320.378 2.473 20 5 DEBDHM C[C@]1(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCCS1 ZINC001590134355 1076570806 /nfs/dbraw/zinc/57/08/06/1076570806.db2.gz WOZSUHYACJVUSZ-CYBMUJFWSA-N -1 3 320.378 2.473 20 5 DEBDHM C[C@@]1(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1(F)F ZINC001590136724 1076571673 /nfs/dbraw/zinc/57/16/73/1076571673.db2.gz XWXNOWXOZSXPHA-NSHDSACASA-N -1 3 310.264 2.232 20 5 DEBDHM C[C@@]1(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1(F)F ZINC001590136724 1076571678 /nfs/dbraw/zinc/57/16/78/1076571678.db2.gz XWXNOWXOZSXPHA-NSHDSACASA-N -1 3 310.264 2.232 20 5 DEBDHM C[C@@H]1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@H]1C ZINC001590239045 1076594287 /nfs/dbraw/zinc/59/42/87/1076594287.db2.gz KJXCEHGWGQBSCQ-YWVKMMECSA-N -1 3 317.353 2.407 20 5 DEBDHM C[C@@H]1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@@H]1C ZINC001590239045 1076594289 /nfs/dbraw/zinc/59/42/89/1076594289.db2.gz KJXCEHGWGQBSCQ-YWVKMMECSA-N -1 3 317.353 2.407 20 5 DEBDHM C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1(C)C ZINC001590276135 1076605491 /nfs/dbraw/zinc/60/54/91/1076605491.db2.gz JBEFSSVHNCJJON-SECBINFHSA-N -1 3 317.353 2.042 20 5 DEBDHM C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1(C)C ZINC001590276135 1076605492 /nfs/dbraw/zinc/60/54/92/1076605492.db2.gz JBEFSSVHNCJJON-SECBINFHSA-N -1 3 317.353 2.042 20 5 DEBDHM C[C@@H]1CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C[C@H]1C ZINC001590276915 1076605872 /nfs/dbraw/zinc/60/58/72/1076605872.db2.gz RLEGBZXFUMXTJP-NXEZZACHSA-N -1 3 302.338 2.257 20 5 DEBDHM C[C@@H]1CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C[C@H]1C ZINC001590276915 1076605874 /nfs/dbraw/zinc/60/58/74/1076605874.db2.gz RLEGBZXFUMXTJP-NXEZZACHSA-N -1 3 302.338 2.257 20 5 DEBDHM CC[C@](C)(CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])OC ZINC001590381871 1076618656 /nfs/dbraw/zinc/61/86/56/1076618656.db2.gz OFGJFKAYGGQUND-CYBMUJFWSA-N -1 3 306.326 2.002 20 5 DEBDHM CC[C@](C)(CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])OC ZINC001590381871 1076618658 /nfs/dbraw/zinc/61/86/58/1076618658.db2.gz OFGJFKAYGGQUND-CYBMUJFWSA-N -1 3 306.326 2.002 20 5 DEBDHM CC[C@@H](C)C[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590406395 1076621771 /nfs/dbraw/zinc/62/17/71/1076621771.db2.gz NEEFOCIFSSQPGR-RKDXNWHRSA-N -1 3 305.342 2.407 20 5 DEBDHM CC[C@@H](C)C[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590406395 1076621773 /nfs/dbraw/zinc/62/17/73/1076621773.db2.gz NEEFOCIFSSQPGR-RKDXNWHRSA-N -1 3 305.342 2.407 20 5 DEBDHM CC[C@H]1CCC[C@H]1CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590508746 1076643458 /nfs/dbraw/zinc/64/34/58/1076643458.db2.gz PKDWOABUNXVRTK-UWVGGRQHSA-N -1 3 317.353 2.408 20 5 DEBDHM CC[C@H]1CCC[C@H]1CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590508746 1076643461 /nfs/dbraw/zinc/64/34/61/1076643461.db2.gz PKDWOABUNXVRTK-UWVGGRQHSA-N -1 3 317.353 2.408 20 5 DEBDHM CCOCCCCNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590810927 1076679785 /nfs/dbraw/zinc/67/97/85/1076679785.db2.gz OXYOIAISCNFGGH-UHFFFAOYSA-N -1 3 320.353 2.312 20 5 DEBDHM CCOCCCCNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590810927 1076679788 /nfs/dbraw/zinc/67/97/88/1076679788.db2.gz OXYOIAISCNFGGH-UHFFFAOYSA-N -1 3 320.353 2.312 20 5 DEBDHM COC(C)(C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591316910 1076721102 /nfs/dbraw/zinc/72/11/02/1076721102.db2.gz SENPJOFMCWHYMZ-MRVPVSSYSA-N -1 3 306.326 2.000 20 5 DEBDHM COC(C)(C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591316910 1076721107 /nfs/dbraw/zinc/72/11/07/1076721107.db2.gz SENPJOFMCWHYMZ-MRVPVSSYSA-N -1 3 306.326 2.000 20 5 DEBDHM CSC1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001591688200 1076770927 /nfs/dbraw/zinc/77/09/27/1076770927.db2.gz JLXKIBMSEIMWML-UHFFFAOYSA-N -1 3 306.351 2.082 20 5 DEBDHM CSC1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001591688200 1076770930 /nfs/dbraw/zinc/77/09/30/1076770930.db2.gz JLXKIBMSEIMWML-UHFFFAOYSA-N -1 3 306.351 2.082 20 5 DEBDHM CSC1(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001591688074 1076771064 /nfs/dbraw/zinc/77/10/64/1076771064.db2.gz CEPIPYLOLOSTIO-UHFFFAOYSA-N -1 3 306.351 2.082 20 5 DEBDHM CSC1(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001591688074 1076771066 /nfs/dbraw/zinc/77/10/66/1076771066.db2.gz CEPIPYLOLOSTIO-UHFFFAOYSA-N -1 3 306.351 2.082 20 5 DEBDHM Cc1cc(N(C)C[Si](C)(C)C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591996933 1076827225 /nfs/dbraw/zinc/82/72/25/1076827225.db2.gz QVPYZAYVFDEINY-UHFFFAOYSA-N -1 3 320.429 2.397 20 5 DEBDHM Cc1cc(N(C)C[Si](C)(C)C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591996933 1076827229 /nfs/dbraw/zinc/82/72/29/1076827229.db2.gz QVPYZAYVFDEINY-UHFFFAOYSA-N -1 3 320.429 2.397 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Oc1cncc(F)c1 ZINC001593471666 1077007133 /nfs/dbraw/zinc/00/71/33/1077007133.db2.gz SQIBUPZLIPWAOK-UHFFFAOYSA-N -1 3 302.225 2.101 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Oc1cncc(F)c1 ZINC001593471666 1077007137 /nfs/dbraw/zinc/00/71/37/1077007137.db2.gz SQIBUPZLIPWAOK-UHFFFAOYSA-N -1 3 302.225 2.101 20 5 DEBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCCN2CCC(C)(C)C2)n1 ZINC001600105198 1077137658 /nfs/dbraw/zinc/13/76/58/1077137658.db2.gz CHMDYRZSQKYAHD-UHFFFAOYSA-N -1 3 322.365 2.140 20 5 DEBDHM Cc1cc([N+](=O)[O-])ccc1CN(CCC(=O)[O-])C[C@H]1CCCO1 ZINC001600304945 1077178242 /nfs/dbraw/zinc/17/82/42/1077178242.db2.gz YHFXGAWCXQESMV-OAHLLOKOSA-N -1 3 322.361 2.359 20 5 DEBDHM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC001601757657 1077448564 /nfs/dbraw/zinc/44/85/64/1077448564.db2.gz XJCIVYMLXKDGFG-RULNRJAQSA-N -1 3 308.309 2.419 20 5 DEBDHM CC[C@]1(C)CCCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001609196296 1077793491 /nfs/dbraw/zinc/79/34/91/1077793491.db2.gz ADVGRPPTXUHTKB-CQSZACIVSA-N -1 3 317.353 2.186 20 5 DEBDHM CC[C@]1(C)CCCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001609196296 1077793492 /nfs/dbraw/zinc/79/34/92/1077793492.db2.gz ADVGRPPTXUHTKB-CQSZACIVSA-N -1 3 317.353 2.186 20 5 DEBDHM CCC[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001609206978 1077798915 /nfs/dbraw/zinc/79/89/15/1077798915.db2.gz QBPASOTWZFGXFC-SNVBAGLBSA-N -1 3 317.353 2.186 20 5 DEBDHM CCC[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001609206978 1077798918 /nfs/dbraw/zinc/79/89/18/1077798918.db2.gz QBPASOTWZFGXFC-SNVBAGLBSA-N -1 3 317.353 2.186 20 5 DEBDHM CCC[C@@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])OC ZINC001609205771 1077799379 /nfs/dbraw/zinc/79/93/79/1077799379.db2.gz XQEJSMSIMRADND-VIFPVBQESA-N -1 3 306.326 2.002 20 5 DEBDHM CCC[C@@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])OC ZINC001609205771 1077799383 /nfs/dbraw/zinc/79/93/83/1077799383.db2.gz XQEJSMSIMRADND-VIFPVBQESA-N -1 3 306.326 2.002 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@H](C2CC2)C1 ZINC001609599899 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DEBDHM Cn1ccc2c1cccc2NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000581765186 357243777 /nfs/dbraw/zinc/24/37/77/357243777.db2.gz FBPMYWITKDJHRN-UHFFFAOYSA-N -1 3 312.285 2.439 20 5 DEBDHM CCc1ccc(S(=O)(=O)[N-]CC(C)(F)F)cc1[N+](=O)[O-] ZINC000592053719 357821058 /nfs/dbraw/zinc/82/10/58/357821058.db2.gz OYCRFDPOKBSLKC-UHFFFAOYSA-N -1 3 308.306 2.091 20 5 DEBDHM O=C([O-])C[C@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000593290530 358049497 /nfs/dbraw/zinc/04/94/97/358049497.db2.gz MEWYBJFPOXRHEZ-GFCCVEGCSA-N -1 3 308.334 2.303 20 5 DEBDHM C[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594748091 358332355 /nfs/dbraw/zinc/33/23/55/358332355.db2.gz ICOFGFJCNZFTPT-NXEZZACHSA-N -1 3 321.358 2.077 20 5 DEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@]23C[C@@H]2CCC3)c(Cl)c1 ZINC000594805880 358340465 /nfs/dbraw/zinc/34/04/65/358340465.db2.gz WHOUMVOTIQSKOU-UFBFGSQYSA-N -1 3 316.766 2.469 20 5 DEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCc2ccoc2)c1[N+](=O)[O-] ZINC000594852923 358349033 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CSc1ccc([N+](=O)[O-])c(C(=O)[N-]OC[C@@H]2CCOC2)c1 ZINC000276337602 403164996 /nfs/dbraw/zinc/16/49/96/403164996.db2.gz UKIRQQDYJBJENE-SECBINFHSA-N -1 3 312.347 2.015 20 5 DEBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2F)c([N+](=O)[O-])c1 ZINC000339121908 403362238 /nfs/dbraw/zinc/36/22/38/403362238.db2.gz AKUSQTQXUTZZRG-VHSXEESVSA-N -1 3 302.327 2.072 20 5 DEBDHM Cc1ncc(CNCC=Cc2ccccc2[N+](=O)[O-])c(=O)[n-]1 ZINC000344329037 404060972 /nfs/dbraw/zinc/06/09/72/404060972.db2.gz RYWYPPGIOQVIGL-XQRVVYSFSA-N -1 3 300.318 2.202 20 5 DEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCSC1 ZINC000360788269 404838104 /nfs/dbraw/zinc/83/81/04/404838104.db2.gz PTMUKUQTYJCHFU-MRVPVSSYSA-N -1 3 322.795 2.032 20 5 DEBDHM CC[C@@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436667548 405119627 /nfs/dbraw/zinc/11/96/27/405119627.db2.gz ZECJUAGAKWKRQU-GFCCVEGCSA-N -1 3 321.377 2.295 20 5 DEBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CS[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000416583285 405188988 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20 5 DEBDHM Cc1ncc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])c(=O)[n-]1 ZINC000569019831 292384931 /nfs/dbraw/zinc/38/49/31/292384931.db2.gz PDAKVNJQOICNOC-CYBMUJFWSA-N -1 3 300.318 2.176 20 5 DEBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H](F)C2)c([N+](=O)[O-])c1 ZINC000572399083 292616514 /nfs/dbraw/zinc/61/65/14/292616514.db2.gz QDQOGROWPIYFPQ-QWRGUYRKSA-N -1 3 316.354 2.462 20 5 DEBDHM CCN1C[C@H](C)N(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@@H]1C ZINC000573210542 326033689 /nfs/dbraw/zinc/03/36/89/326033689.db2.gz LYAVZYNOMWTZDE-QWRGUYRKSA-N -1 3 307.350 2.212 20 5 DEBDHM CC(C)(CNC(=O)c1cccc([N+](=O)[O-])c1[O-])N1CCCCC1 ZINC000443959643 527164757 /nfs/dbraw/zinc/16/47/57/527164757.db2.gz IFZUCXKAGULKHC-UHFFFAOYSA-N -1 3 321.377 2.295 20 5 DEBDHM CC[C@@H](C)CO[N-]C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000293738407 529330102 /nfs/dbraw/zinc/33/01/02/529330102.db2.gz NXJKUBKASSOJKM-SECBINFHSA-N -1 3 312.322 2.320 20 5 DEBDHM COc1cc(C(=O)NCc2ccccc2[N+](=O)[O-])ccc1[O-] ZINC000357600972 536496048 /nfs/dbraw/zinc/49/60/48/536496048.db2.gz SLPFSTHOPVMSRI-UHFFFAOYSA-N -1 3 302.286 2.239 20 5 DEBDHM O=[N+]([O-])c1cnc(Nc2ccc3[nH]ccc3c2)c(-c2nnn[n-]2)c1 ZINC000738375374 598914725 /nfs/dbraw/zinc/91/47/25/598914725.db2.gz ZMFNKMVTZAXHMY-UHFFFAOYSA-N -1 3 322.288 2.395 20 5 DEBDHM O=[N+]([O-])c1cnc(Nc2ccc3[nH]ccc3c2)c(-c2nn[n-]n2)c1 ZINC000738375374 598914726 /nfs/dbraw/zinc/91/47/26/598914726.db2.gz ZMFNKMVTZAXHMY-UHFFFAOYSA-N -1 3 322.288 2.395 20 5 DEBDHM COC(C)(C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821672517 599045955 /nfs/dbraw/zinc/04/59/55/599045955.db2.gz NMBNSBUVHIPDKR-SECBINFHSA-N -1 3 320.353 2.390 20 5 DEBDHM COC(C)(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821672517 599045958 /nfs/dbraw/zinc/04/59/58/599045958.db2.gz NMBNSBUVHIPDKR-SECBINFHSA-N -1 3 320.353 2.390 20 5 DEBDHM CC[C@@]1(C)CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820950945 599089670 /nfs/dbraw/zinc/08/96/70/599089670.db2.gz SWSKTYQZDUHMDT-AWEZNQCLSA-N -1 3 317.353 2.186 20 5 DEBDHM CC[C@@]1(C)CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820950945 599089671 /nfs/dbraw/zinc/08/96/71/599089671.db2.gz SWSKTYQZDUHMDT-AWEZNQCLSA-N -1 3 317.353 2.186 20 5 DEBDHM C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000739030704 597303347 /nfs/dbraw/zinc/30/33/47/597303347.db2.gz DHZQWVXGESXYSH-QMMMGPOBSA-N -1 3 307.331 2.281 20 5 DEBDHM C[C@H]1SCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@@H]1C ZINC000736300872 599305366 /nfs/dbraw/zinc/30/53/66/599305366.db2.gz GWZMHHUHQQOXQI-RKDXNWHRSA-N -1 3 320.378 2.105 20 5 DEBDHM C[C@H]1SCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@@H]1C ZINC000736300872 599305369 /nfs/dbraw/zinc/30/53/69/599305369.db2.gz GWZMHHUHQQOXQI-RKDXNWHRSA-N -1 3 320.378 2.105 20 5 DEBDHM C[C@H](Oc1cccnc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000736188021 599286458 /nfs/dbraw/zinc/28/64/58/599286458.db2.gz GUEROVNTFWWLBN-VIFPVBQESA-N -1 3 312.289 2.310 20 5 DEBDHM C[C@H](Oc1cccnc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000736188021 599286462 /nfs/dbraw/zinc/28/64/62/599286462.db2.gz GUEROVNTFWWLBN-VIFPVBQESA-N -1 3 312.289 2.310 20 5 DEBDHM CC1(C)CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000736212054 598394253 /nfs/dbraw/zinc/39/42/53/598394253.db2.gz VRFRHNVJOQDAOA-UHFFFAOYSA-N -1 3 302.338 2.401 20 5 DEBDHM CC1(C)CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000736212054 598394255 /nfs/dbraw/zinc/39/42/55/598394255.db2.gz VRFRHNVJOQDAOA-UHFFFAOYSA-N -1 3 302.338 2.401 20 5 DEBDHM C[C@H]1CCCC[C@H]1Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820703254 599453436 /nfs/dbraw/zinc/45/34/36/599453436.db2.gz DLCDSZASVPUECU-GZMMTYOYSA-N -1 3 303.326 2.161 20 5 DEBDHM C[C@H]1CCCC[C@H]1Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820703254 599453438 /nfs/dbraw/zinc/45/34/38/599453438.db2.gz DLCDSZASVPUECU-GZMMTYOYSA-N -1 3 303.326 2.161 20 5 DEBDHM C[C@H]1CCCC[C@@H]1Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820703257 599453673 /nfs/dbraw/zinc/45/36/73/599453673.db2.gz DLCDSZASVPUECU-KWQFWETISA-N -1 3 303.326 2.161 20 5 DEBDHM C[C@H]1CCCC[C@@H]1Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820703257 599453675 /nfs/dbraw/zinc/45/36/75/599453675.db2.gz DLCDSZASVPUECU-KWQFWETISA-N -1 3 303.326 2.161 20 5 DEBDHM C/C(=C/CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C(=O)[O-] ZINC000825736427 601177935 /nfs/dbraw/zinc/17/79/35/601177935.db2.gz YTJPTVXJKYNCHF-SDQBBNPISA-N -1 3 320.345 2.469 20 5 DEBDHM CC1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCOCC1 ZINC000820623426 606611011 /nfs/dbraw/zinc/61/10/11/606611011.db2.gz PWBSOKAVPNTXAX-UHFFFAOYSA-N -1 3 318.337 2.004 20 5 DEBDHM CC1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCOCC1 ZINC000820623426 606611013 /nfs/dbraw/zinc/61/10/13/606611013.db2.gz PWBSOKAVPNTXAX-UHFFFAOYSA-N -1 3 318.337 2.004 20 5 DEBDHM O=[N+]([O-])c1cc(N2CCc3ccccc3C2)ccc1-c1nnn[n-]1 ZINC000823635209 606644562 /nfs/dbraw/zinc/64/45/62/606644562.db2.gz TZBFRTYTAKUPLA-UHFFFAOYSA-N -1 3 322.328 2.338 20 5 DEBDHM O=[N+]([O-])c1ccc(NC[C@@H]2CCCS2)c(-c2nnn[n-]2)c1 ZINC000823639956 606800299 /nfs/dbraw/zinc/80/02/99/606800299.db2.gz NJDCAIDBXVDNIT-VIFPVBQESA-N -1 3 306.351 2.082 20 5 DEBDHM O=[N+]([O-])c1ccc(NC[C@@H]2CCCS2)c(-c2nn[n-]n2)c1 ZINC000823639956 606800300 /nfs/dbraw/zinc/80/03/00/606800300.db2.gz NJDCAIDBXVDNIT-VIFPVBQESA-N -1 3 306.351 2.082 20 5 DEBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCC(F)(F)C2)c(-c2nnn[n-]2)c1 ZINC000823640217 606882904 /nfs/dbraw/zinc/88/29/04/606882904.db2.gz XXEHVOYJIRSHLB-SSDOTTSWSA-N -1 3 310.264 2.375 20 5 DEBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCC(F)(F)C2)c(-c2nn[n-]n2)c1 ZINC000823640217 606882906 /nfs/dbraw/zinc/88/29/06/606882906.db2.gz XXEHVOYJIRSHLB-SSDOTTSWSA-N -1 3 310.264 2.375 20 5 DEBDHM CC[C@@H](CSC)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825128476 608296979 /nfs/dbraw/zinc/29/69/79/608296979.db2.gz VKUFKUHWJGVKEP-VIFPVBQESA-N -1 3 322.394 2.353 20 5 DEBDHM CC[C@@H](CSC)N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825128476 608296981 /nfs/dbraw/zinc/29/69/81/608296981.db2.gz VKUFKUHWJGVKEP-VIFPVBQESA-N -1 3 322.394 2.353 20 5 DEBDHM C[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@H]1C ZINC000824962368 608302957 /nfs/dbraw/zinc/30/29/57/608302957.db2.gz UCECIHZJTVAZRH-ZJUUUORDSA-N -1 3 302.338 2.257 20 5 DEBDHM C[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@@H]1C ZINC000824962368 608302958 /nfs/dbraw/zinc/30/29/58/608302958.db2.gz UCECIHZJTVAZRH-ZJUUUORDSA-N -1 3 302.338 2.257 20 5 DEBDHM CO[C@@H]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826146677 608417872 /nfs/dbraw/zinc/41/78/72/608417872.db2.gz ZSDXGRKDNFRKJY-NOZJJQNGSA-N -1 3 318.337 2.002 20 5 DEBDHM CO[C@@H]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826146677 608417873 /nfs/dbraw/zinc/41/78/73/608417873.db2.gz ZSDXGRKDNFRKJY-NOZJJQNGSA-N -1 3 318.337 2.002 20 5 DEBDHM O=[N+]([O-])c1ccc(S[C@H]2CCCOC2)c(-c2nnn[n-]2)c1 ZINC000826499678 609579844 /nfs/dbraw/zinc/57/98/44/609579844.db2.gz SCQMJAFAURALFT-VIFPVBQESA-N -1 3 307.335 2.046 20 5 DEBDHM O=[N+]([O-])c1ccc(S[C@H]2CCCOC2)c(-c2nn[n-]n2)c1 ZINC000826499678 609579846 /nfs/dbraw/zinc/57/98/46/609579846.db2.gz SCQMJAFAURALFT-VIFPVBQESA-N -1 3 307.335 2.046 20 5 DEBDHM Cc1cc(S(=O)(=O)[N-]C[C@]23C[C@H]2CCC3)c([N+](=O)[O-])s1 ZINC000921920401 635715199 /nfs/dbraw/zinc/71/51/99/635715199.db2.gz MOZWVBHYRGOKOZ-SKDRFNHKSA-N -1 3 316.404 2.433 20 5 DEBDHM O=c1[n-]ccc(NC[C@H]2CCCN2CC(F)(F)F)c1[N+](=O)[O-] ZINC000896053657 638334246 /nfs/dbraw/zinc/33/42/46/638334246.db2.gz GJWOWQOKSTVPTJ-MRVPVSSYSA-N -1 3 320.271 2.134 20 5 DEBDHM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2ccon2)cc1OC ZINC000771480717 641515865 /nfs/dbraw/zinc/51/58/65/641515865.db2.gz RHQIQALUGHREIC-UHFFFAOYSA-N -1 3 307.262 2.242 20 5 DEBDHM O=C([O-])[C@H]1CSCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000901890020 642811189 /nfs/dbraw/zinc/81/11/89/642811189.db2.gz GISUVTQYMJZHKF-HSBHDXMMSA-N -1 3 322.386 2.358 20 5 DEBDHM COc1cc([N+](=O)[O-])ccc1COC(=O)c1cncc([O-])c1 ZINC000797474275 644885098 /nfs/dbraw/zinc/88/50/98/644885098.db2.gz BYJQAFMGGRJUGG-UHFFFAOYSA-N -1 3 304.258 2.061 20 5 DEBDHM O=C(OCc1cccc([N+](=O)[O-])c1)c1cc(F)cc2[n-]nnc21 ZINC000800260026 645246870 /nfs/dbraw/zinc/24/68/70/645246870.db2.gz SYGYHLRBMSHAAA-UHFFFAOYSA-N -1 3 316.248 2.362 20 5 DEBDHM O=C(OCc1cccc([N+](=O)[O-])c1)c1cc(F)cc2nn[n-]c21 ZINC000800260026 645246874 /nfs/dbraw/zinc/24/68/74/645246874.db2.gz SYGYHLRBMSHAAA-UHFFFAOYSA-N -1 3 316.248 2.362 20 5 DEBDHM O=C(OCc1cccc([N+](=O)[O-])c1)c1cc(F)cc2n[n-]nc21 ZINC000800260026 645246878 /nfs/dbraw/zinc/24/68/78/645246878.db2.gz SYGYHLRBMSHAAA-UHFFFAOYSA-N -1 3 316.248 2.362 20 5 DEBDHM COC(=O)c1cc(C(=O)OCc2cc(F)ccc2[N+](=O)[O-])c[n-]1 ZINC000814533010 646902260 /nfs/dbraw/zinc/90/22/60/646902260.db2.gz KJJNZPFFYIAUEC-UHFFFAOYSA-N -1 3 322.248 2.206 20 5 DEBDHM CCc1cc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])nn1C ZINC000817708574 647346240 /nfs/dbraw/zinc/34/62/40/647346240.db2.gz BGVPNCPBELPZJN-UHFFFAOYSA-N -1 3 306.322 2.217 20 5 DEBDHM CCCO[N-]C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000844085794 651074377 /nfs/dbraw/zinc/07/43/77/651074377.db2.gz KQIWPXKTYGUVEW-UHFFFAOYSA-N -1 3 317.139 2.358 20 5 DEBDHM CCc1ccc([C@H](O)CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000853609845 652578192 /nfs/dbraw/zinc/57/81/92/652578192.db2.gz VMQFWKQUKDDBSW-CYBMUJFWSA-N -1 3 303.318 2.403 20 5 DEBDHM O=[N+]([O-])c1cnc([N-]c2cnn(Cc3cccnc3)c2)s1 ZINC001344595274 1150831051 /nfs/dbraw/zinc/83/10/51/1150831051.db2.gz RDJJORWEIUULHE-UHFFFAOYSA-N -1 3 302.319 2.435 20 5 DEBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1n[nH]c(C(C)C)n1 ZINC001442964658 1182813748 /nfs/dbraw/zinc/81/37/48/1182813748.db2.gz HRDFCYKECOJKTL-UHFFFAOYSA-N -1 3 319.321 2.487 20 5 DEBDHM Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCCc2cccc([O-])c21 ZINC001447112682 1184641403 /nfs/dbraw/zinc/64/14/03/1184641403.db2.gz PRJBXFYBZUQKBW-UHFFFAOYSA-N -1 3 313.313 2.476 20 5 DEBDHM Cc1cc(S(=O)(=O)[N-][C@H]2C=CCCC2)c([N+](=O)[O-])s1 ZINC001331933759 1149781867 /nfs/dbraw/zinc/78/18/67/1149781867.db2.gz CEPYOXJWGXWOSV-VIFPVBQESA-N -1 3 302.377 2.352 20 5 DEBDHM CC/C=C(/C)C(=O)N(C)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001109381408 785831220 /nfs/dbraw/zinc/83/12/20/785831220.db2.gz VBOMXOHLTMGTNL-WDZFZDKYSA-N -1 3 322.365 2.312 20 5 DEBDHM CSc1nnc([N-]c2ccc([N+](=O)[O-])nc2)c(SC)n1 ZINC001203560275 795812257 /nfs/dbraw/zinc/81/22/57/795812257.db2.gz JMRBEVWROSTYRW-UHFFFAOYSA-N -1 3 310.364 2.362 20 5 DEBDHM COc1ccc(NC([O-])=NO[C@@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC001123372691 795902544 /nfs/dbraw/zinc/90/25/44/795902544.db2.gz RIJIAGMFJSCTIC-GFCCVEGCSA-N -1 3 311.294 2.183 20 5 DEBDHM COc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC001123372691 795902548 /nfs/dbraw/zinc/90/25/48/795902548.db2.gz RIJIAGMFJSCTIC-GFCCVEGCSA-N -1 3 311.294 2.183 20 5 DEBDHM Cc1c[nH]c(C[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)n1 ZINC001149597958 796874116 /nfs/dbraw/zinc/87/41/16/796874116.db2.gz PWASTWXFEQQQOW-UHFFFAOYSA-N -1 3 310.260 2.035 20 5 DEBDHM O=C(OCc1ccc([N+](=O)[O-])cc1F)c1cccc2nn[n-]c21 ZINC000800208571 799342448 /nfs/dbraw/zinc/34/24/48/799342448.db2.gz MPOWALPCKFFWBR-UHFFFAOYSA-N -1 3 316.248 2.362 20 5 DEBDHM O=C(OCc1ccc([N+](=O)[O-])cc1F)c1cccc2[n-]nnc21 ZINC000800208571 799342451 /nfs/dbraw/zinc/34/24/51/799342451.db2.gz MPOWALPCKFFWBR-UHFFFAOYSA-N -1 3 316.248 2.362 20 5 DEBDHM O=C(OCc1ccc([N+](=O)[O-])cc1F)c1cccc2n[n-]nc21 ZINC000800208571 799342457 /nfs/dbraw/zinc/34/24/57/799342457.db2.gz MPOWALPCKFFWBR-UHFFFAOYSA-N -1 3 316.248 2.362 20 5 DEBDHM O=c1[nH][n-]cc1CCCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001164370707 799586367 /nfs/dbraw/zinc/58/63/67/799586367.db2.gz KISFEKONZFHEJE-NSHDSACASA-N -1 3 313.317 2.067 20 5 DEBDHM Cc1[nH][n-]c(=O)c1Sc1nc2ccc([N+](=O)[O-])cc2s1 ZINC001164542455 799619936 /nfs/dbraw/zinc/61/99/36/799619936.db2.gz SSBOYGRNIVYZSP-SECBINFHSA-N -1 3 308.344 2.171 20 5 DEBDHM COc1c([O-])ccc(CN2CCC[C@@H]2c2ncon2)c1[N+](=O)[O-] ZINC001204916628 800274022 /nfs/dbraw/zinc/27/40/22/800274022.db2.gz RLIWSSQEGYUWAT-SNVBAGLBSA-N -1 3 320.305 2.029 20 5 DEBDHM Cc1c(Nc2cc(=O)[n-]c(=S)[nH]2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001211291776 801543610 /nfs/dbraw/zinc/54/36/10/801543610.db2.gz CKFVJPXYALYCHS-UHFFFAOYSA-N -1 3 323.290 2.339 20 5 DEBDHM CN(C)c1nc(Nc2c(F)ccc([N+](=O)[O-])c2F)cc(=O)[n-]1 ZINC001215289528 801830489 /nfs/dbraw/zinc/83/04/89/801830489.db2.gz LKQVJJLKVHICGC-UHFFFAOYSA-N -1 3 311.248 2.178 20 5 DEBDHM C=CC(=O)OC[C@@H](C)Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228675075 803392066 /nfs/dbraw/zinc/39/20/66/803392066.db2.gz NPISXDJMILYEKX-SECBINFHSA-N -1 3 305.290 2.276 20 5 DEBDHM COc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001604739260 973949286 /nfs/dbraw/zinc/94/92/86/973949286.db2.gz KYSASFXJFRLWMU-ZYHUDNBSSA-N -1 3 308.334 2.146 20 5 DEBDHM CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc(C(=O)[O-])[nH]1 ZINC001598502384 992450812 /nfs/dbraw/zinc/45/08/12/992450812.db2.gz WNKIEARBTXTTRE-UHFFFAOYSA-N -1 3 303.318 2.296 20 5 DEBDHM CC1(C)C[C@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCO1 ZINC001603765775 1070087015 /nfs/dbraw/zinc/08/70/15/1070087015.db2.gz XMSKLTVZXUIXHZ-SNVBAGLBSA-N -1 3 318.337 2.144 20 5 DEBDHM C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CS1 ZINC001603864395 1070124906 /nfs/dbraw/zinc/12/49/06/1070124906.db2.gz YOZNFMSBMWZSCA-SFYZADRCSA-N -1 3 306.351 2.081 20 5 DEBDHM C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CS1 ZINC001603864395 1070124909 /nfs/dbraw/zinc/12/49/09/1070124909.db2.gz YOZNFMSBMWZSCA-SFYZADRCSA-N -1 3 306.351 2.081 20 5 DEBDHM C[C@@H]1CCCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001603898467 1070144882 /nfs/dbraw/zinc/14/48/82/1070144882.db2.gz NWAAMMPHWLKYBO-MRVPVSSYSA-N -1 3 306.301 2.150 20 5 DEBDHM C[C@@H]1CCCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001603898467 1070144886 /nfs/dbraw/zinc/14/48/86/1070144886.db2.gz NWAAMMPHWLKYBO-MRVPVSSYSA-N -1 3 306.301 2.150 20 5 DEBDHM CO[C@H](CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)CC(C)C ZINC001605008548 1070568527 /nfs/dbraw/zinc/56/85/27/1070568527.db2.gz JDTSFGHPFHUSJJ-NSHDSACASA-N -1 3 320.353 2.248 20 5 DEBDHM COC1(CCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCC1 ZINC001605016190 1070573718 /nfs/dbraw/zinc/57/37/18/1070573718.db2.gz NQVTXNYNEYZQIK-UHFFFAOYSA-N -1 3 318.337 2.146 20 5 DEBDHM COC1(CCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCC1 ZINC001605016190 1070573728 /nfs/dbraw/zinc/57/37/28/1070573728.db2.gz NQVTXNYNEYZQIK-UHFFFAOYSA-N -1 3 318.337 2.146 20 5 DEBDHM C[C@H](Nc1ncccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC001605441812 1070712355 /nfs/dbraw/zinc/71/23/55/1070712355.db2.gz HMEFNEPGEYKMCF-VIFPVBQESA-N -1 3 311.305 2.343 20 5 DEBDHM C[C@H](Nc1ncccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC001605441812 1070712367 /nfs/dbraw/zinc/71/23/67/1070712367.db2.gz HMEFNEPGEYKMCF-VIFPVBQESA-N -1 3 311.305 2.343 20 5 DEBDHM Cc1c(Oc2ncc(-c3nnn[n-]3)cc2F)cccc1[N+](=O)[O-] ZINC001605500716 1070736576 /nfs/dbraw/zinc/73/65/76/1070736576.db2.gz UDUFOPGTWYEVHF-UHFFFAOYSA-N -1 3 316.252 2.410 20 5 DEBDHM Cc1c(Oc2ncc(-c3nn[n-]n3)cc2F)cccc1[N+](=O)[O-] ZINC001605500716 1070736588 /nfs/dbraw/zinc/73/65/88/1070736588.db2.gz UDUFOPGTWYEVHF-UHFFFAOYSA-N -1 3 316.252 2.410 20 5 DEBDHM COc1c([O-])ccc(CNC(C)(C)c2nc(C)no2)c1[N+](=O)[O-] ZINC001621331295 1071105502 /nfs/dbraw/zinc/10/55/02/1071105502.db2.gz HAACJCKJBWVTJJ-UHFFFAOYSA-N -1 3 322.321 2.025 20 5 DEBDHM O=[N+]([O-])c1cnc(NC[C@@H]2CC[C@@H]3C[C@@H]3C2)c(-c2nnn[n-]2)c1 ZINC001607086573 1071292541 /nfs/dbraw/zinc/29/25/41/1071292541.db2.gz OSNXHKYJGDTZCL-BBBLOLIVSA-N -1 3 315.337 2.018 20 5 DEBDHM O=[N+]([O-])c1cnc(NC[C@@H]2CC[C@@H]3C[C@@H]3C2)c(-c2nn[n-]n2)c1 ZINC001607086573 1071292543 /nfs/dbraw/zinc/29/25/43/1071292543.db2.gz OSNXHKYJGDTZCL-BBBLOLIVSA-N -1 3 315.337 2.018 20 5 DEBDHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC001470786386 1060144295 /nfs/dbraw/zinc/14/42/95/1060144295.db2.gz DWZIQPUZXVKQJA-UHFFFAOYSA-N -1 3 310.273 2.027 20 5 DEBDHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC001470786386 1060144303 /nfs/dbraw/zinc/14/43/03/1060144303.db2.gz DWZIQPUZXVKQJA-UHFFFAOYSA-N -1 3 310.273 2.027 20 5 DEBDHM COc1nscc1[N-]C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC001471664002 1060270501 /nfs/dbraw/zinc/27/05/01/1060270501.db2.gz RSQGWKWMTVUBOB-UHFFFAOYSA-N -1 3 309.303 2.321 20 5 DEBDHM CN(C)c1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1F ZINC001472611849 1060552877 /nfs/dbraw/zinc/55/28/77/1060552877.db2.gz HPHCCCODLBESDH-UHFFFAOYSA-N -1 3 320.280 2.153 20 5 DEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC(F)F)c(Cl)c1 ZINC001475783383 1061044480 /nfs/dbraw/zinc/04/44/80/1061044480.db2.gz PSEUNXQTKHUVHX-UHFFFAOYSA-N -1 3 314.697 2.182 20 5 DEBDHM O=c1[n-]ccc(NCc2ccc(-n3cccn3)cc2)c1[N+](=O)[O-] ZINC001611777974 1078105802 /nfs/dbraw/zinc/10/58/02/1078105802.db2.gz YZJKKNBQPVZGHJ-UHFFFAOYSA-N -1 3 311.301 2.493 20 5 DEBDHM O=c1[n-]ccc(NCC[S@](=O)Cc2ccccc2)c1[N+](=O)[O-] ZINC001611948006 1078106560 /nfs/dbraw/zinc/10/65/60/1078106560.db2.gz TVWWKLAMLYUEJW-QFIPXVFZSA-N -1 3 321.358 2.056 20 5 DEBDHM CCOc1nnc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)[n-]1 ZINC001636063920 1078467404 /nfs/dbraw/zinc/46/74/04/1078467404.db2.gz OSDLMBZOWVQGPV-UHFFFAOYSA-N -1 3 319.321 2.487 20 5 DEBDHM CCOc1nc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)n[n-]1 ZINC001636063920 1078467407 /nfs/dbraw/zinc/46/74/07/1078467407.db2.gz OSDLMBZOWVQGPV-UHFFFAOYSA-N -1 3 319.321 2.487 20 5 DEBDHM CCOc1n[n-]c(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC001636063920 1078467409 /nfs/dbraw/zinc/46/74/09/1078467409.db2.gz OSDLMBZOWVQGPV-UHFFFAOYSA-N -1 3 319.321 2.487 20 5 DEBDHM NC(=O)c1cc(NCc2ccc([O-])c(F)c2)ccc1[N+](=O)[O-] ZINC001639522978 1078616256 /nfs/dbraw/zinc/61/62/56/1078616256.db2.gz BXWBZFBFLOWWLS-UHFFFAOYSA-N -1 3 305.265 2.151 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1Cc2ccccc2CO1 ZINC001582804090 1076185079 /nfs/dbraw/zinc/18/50/79/1076185079.db2.gz IKXKIOOVIKJFBI-UHFFFAOYSA-N -1 3 324.300 2.227 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1Cc2ccccc2CO1 ZINC001582804090 1076185084 /nfs/dbraw/zinc/18/50/84/1076185084.db2.gz IKXKIOOVIKJFBI-UHFFFAOYSA-N -1 3 324.300 2.227 20 5 DEBDHM CC(C)(C)CC(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589116491 1076476580 /nfs/dbraw/zinc/47/65/80/1076476580.db2.gz RVIMLYHQAHKWPR-UHFFFAOYSA-N -1 3 319.321 2.254 20 5 DEBDHM CC(C)(C)CC(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589116491 1076476582 /nfs/dbraw/zinc/47/65/82/1076476582.db2.gz RVIMLYHQAHKWPR-UHFFFAOYSA-N -1 3 319.321 2.254 20 5 DEBDHM CC1(C)C(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1(C)C ZINC001590075782 1076556528 /nfs/dbraw/zinc/55/65/28/1076556528.db2.gz BQGBNZWHVDCTKC-UHFFFAOYSA-N -1 3 317.353 2.264 20 5 DEBDHM CC1(C)C(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1(C)C ZINC001590075782 1076556532 /nfs/dbraw/zinc/55/65/32/1076556532.db2.gz BQGBNZWHVDCTKC-UHFFFAOYSA-N -1 3 317.353 2.264 20 5 DEBDHM CC1(C)CO[C@@H](CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001590111406 1076565777 /nfs/dbraw/zinc/56/57/77/1076565777.db2.gz QYIKGSOYUPUBRQ-SNVBAGLBSA-N -1 3 318.337 2.002 20 5 DEBDHM CC1(C)CO[C@@H](CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001590111406 1076565780 /nfs/dbraw/zinc/56/57/80/1076565780.db2.gz QYIKGSOYUPUBRQ-SNVBAGLBSA-N -1 3 318.337 2.002 20 5 DEBDHM C[C@@H]1SCC[C@@H]1Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590340099 1076614616 /nfs/dbraw/zinc/61/46/16/1076614616.db2.gz ZOYKUIPKIRLJJK-CBAPKCEASA-N -1 3 306.351 2.081 20 5 DEBDHM C[C@@H]1SCC[C@@H]1Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590340099 1076614618 /nfs/dbraw/zinc/61/46/18/1076614618.db2.gz ZOYKUIPKIRLJJK-CBAPKCEASA-N -1 3 306.351 2.081 20 5 DEBDHM CCOCCSCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590815226 1076680016 /nfs/dbraw/zinc/68/00/16/1076680016.db2.gz MWTJXPONTSSIIY-UHFFFAOYSA-N -1 3 309.351 2.045 20 5 DEBDHM CCOCCSCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590815226 1076680020 /nfs/dbraw/zinc/68/00/20/1076680020.db2.gz MWTJXPONTSSIIY-UHFFFAOYSA-N -1 3 309.351 2.045 20 5 DEBDHM CCSCCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590852948 1076685462 /nfs/dbraw/zinc/68/54/62/1076685462.db2.gz BCNTYWMGQCYSHL-UHFFFAOYSA-N -1 3 308.367 2.330 20 5 DEBDHM CCSCCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590852948 1076685465 /nfs/dbraw/zinc/68/54/65/1076685465.db2.gz BCNTYWMGQCYSHL-UHFFFAOYSA-N -1 3 308.367 2.330 20 5 DEBDHM CO[C@@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C(C)(C)C ZINC001591329579 1076724348 /nfs/dbraw/zinc/72/43/48/1076724348.db2.gz FTDFWBIITGUQSJ-NSHDSACASA-N -1 3 320.353 2.248 20 5 DEBDHM CO[C@@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C(C)(C)C ZINC001591329579 1076724351 /nfs/dbraw/zinc/72/43/51/1076724351.db2.gz FTDFWBIITGUQSJ-NSHDSACASA-N -1 3 320.353 2.248 20 5 DEBDHM CO[C@@H]1CCC[C@H]1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591362244 1076733697 /nfs/dbraw/zinc/73/36/97/1076733697.db2.gz QUAKWMIMHZQRIG-JOYOIKCWSA-N -1 3 318.337 2.002 20 5 DEBDHM CO[C@@H]1CCC[C@H]1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591362244 1076733699 /nfs/dbraw/zinc/73/36/99/1076733699.db2.gz QUAKWMIMHZQRIG-JOYOIKCWSA-N -1 3 318.337 2.002 20 5 DEBDHM Cc1cc(NCCc2ccco2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592051123 1076838715 /nfs/dbraw/zinc/83/87/15/1076838715.db2.gz KNUOCCVXBYONSJ-UHFFFAOYSA-N -1 3 314.305 2.331 20 5 DEBDHM Cc1cc(NCCc2ccco2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592051123 1076838718 /nfs/dbraw/zinc/83/87/18/1076838718.db2.gz KNUOCCVXBYONSJ-UHFFFAOYSA-N -1 3 314.305 2.331 20 5 DEBDHM Cc1cc(NCc2cccnc2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592052994 1076838936 /nfs/dbraw/zinc/83/89/36/1076838936.db2.gz GWDNMAOUHGNMNG-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1cc(NCc2cccnc2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592052994 1076838941 /nfs/dbraw/zinc/83/89/41/1076838941.db2.gz GWDNMAOUHGNMNG-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1cc([N+](=O)[O-])cnc1NCc1ccc(-c2nnn[n-]2)s1 ZINC001592070881 1076842430 /nfs/dbraw/zinc/84/24/30/1076842430.db2.gz VJSQQCJHCZJYQS-UHFFFAOYSA-N -1 3 317.334 2.152 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1SC[C@@H]1C[C@H]2C[C@H]2C1 ZINC001593473122 1077006998 /nfs/dbraw/zinc/00/69/98/1077006998.db2.gz LYGAWZVFMGVVMN-AYMMMOKOSA-N -1 3 318.362 2.308 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1SC[C@@H]1C[C@H]2C[C@H]2C1 ZINC001593473122 1077007001 /nfs/dbraw/zinc/00/70/01/1077007001.db2.gz LYGAWZVFMGVVMN-AYMMMOKOSA-N -1 3 318.362 2.308 20 5 DEBDHM O=[N+]([O-])c1ccc(N2CC(c3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC001593475737 1077008287 /nfs/dbraw/zinc/00/82/87/1077008287.db2.gz DFCDXNIFKFEDQA-UHFFFAOYSA-N -1 3 322.328 2.379 20 5 DEBDHM O=[N+]([O-])c1ccc(N2CC(c3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC001593475737 1077008289 /nfs/dbraw/zinc/00/82/89/1077008289.db2.gz DFCDXNIFKFEDQA-UHFFFAOYSA-N -1 3 322.328 2.379 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCC[C@H]1CCCCO1 ZINC001593481568 1077010267 /nfs/dbraw/zinc/01/02/67/1077010267.db2.gz RWXLKSNQAABASD-SNVBAGLBSA-N -1 3 318.337 2.146 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCC[C@H]1CCCCO1 ZINC001593481568 1077010273 /nfs/dbraw/zinc/01/02/73/1077010273.db2.gz RWXLKSNQAABASD-SNVBAGLBSA-N -1 3 318.337 2.146 20 5 DEBDHM C[C@@H]1OCC[C@H]1Sc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001609178871 1077786440 /nfs/dbraw/zinc/78/64/40/1077786440.db2.gz GWDXVHTZFQDUJZ-OIBJUYFYSA-N -1 3 307.335 2.044 20 5 DEBDHM C[C@@H]1OCC[C@H]1Sc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609178871 1077786443 /nfs/dbraw/zinc/78/64/43/1077786443.db2.gz GWDXVHTZFQDUJZ-OIBJUYFYSA-N -1 3 307.335 2.044 20 5 DEBDHM Cc1cc(NC[C@H]2CCCCO2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609409664 1077853654 /nfs/dbraw/zinc/85/36/54/1077853654.db2.gz SHFJSJDYZIPKMP-SNVBAGLBSA-N -1 3 318.337 2.064 20 5 DEBDHM Cc1cc(NC[C@H]2CCCCO2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609409664 1077853655 /nfs/dbraw/zinc/85/36/55/1077853655.db2.gz SHFJSJDYZIPKMP-SNVBAGLBSA-N -1 3 318.337 2.064 20 5 DEBDHM Cc1ccnc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001609438579 1077859875 /nfs/dbraw/zinc/85/98/75/1077859875.db2.gz SERLXMDVUOTFBO-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1ccnc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001609438579 1077859877 /nfs/dbraw/zinc/85/98/77/1077859877.db2.gz SERLXMDVUOTFBO-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM O=C(Nc1ccnn1C1CCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001610321704 1078003058 /nfs/dbraw/zinc/00/30/58/1078003058.db2.gz IBRXAYHUUJSEFU-UHFFFAOYSA-N -1 3 317.305 2.259 20 5 DEBDHM COc1c([O-])ccc(CN(C)[C@H](C)c2nc(C)no2)c1[N+](=O)[O-] ZINC001652737017 1079894903 /nfs/dbraw/zinc/89/49/03/1079894903.db2.gz MQBCFBUYGTTXIG-MRVPVSSYSA-N -1 3 322.321 2.193 20 5 DEBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc[nH]2)c([N+](=O)[O-])s1 ZINC001662581071 1080617749 /nfs/dbraw/zinc/61/77/49/1080617749.db2.gz WNXSPEMFPZTAKR-MRVPVSSYSA-N -1 3 315.376 2.332 20 5 DEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCC(F)F ZINC001335150974 1139103995 /nfs/dbraw/zinc/10/39/95/1139103995.db2.gz OZRVKPDKFQWFQX-UHFFFAOYSA-N -1 3 308.306 2.227 20 5 DEBDHM CCCN(CCN1CCCC1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000286636833 219095954 /nfs/dbraw/zinc/09/59/54/219095954.db2.gz DCLBKXRSVTVRBW-UHFFFAOYSA-N -1 3 321.377 2.248 20 5 DEBDHM Cn1c(C(=O)N2CCCc3cccc([O-])c32)ccc1[N+](=O)[O-] ZINC000315851132 282568556 /nfs/dbraw/zinc/56/85/56/282568556.db2.gz GNCWHOOLWSGDKZ-UHFFFAOYSA-N -1 3 301.302 2.232 20 5 DEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc[nH]2)cc1C ZINC000072714257 191220189 /nfs/dbraw/zinc/22/01/89/191220189.db2.gz RTVXNPIVRPFOKD-UHFFFAOYSA-N -1 3 309.347 2.018 20 5 DEBDHM O=C(c1c([O-])cccc1O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000092124512 355619881 /nfs/dbraw/zinc/61/98/81/355619881.db2.gz JUTRAPVFRMQBHD-UHFFFAOYSA-N -1 3 314.297 2.205 20 5 DEBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000594857746 358349620 /nfs/dbraw/zinc/34/96/20/358349620.db2.gz LLKSGSXAKBZHNV-LLVKDONJSA-N -1 3 314.363 2.070 20 5 DEBDHM O=c1[n-]ccc(NCCN2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000596073707 358603620 /nfs/dbraw/zinc/60/36/20/358603620.db2.gz RXRUATAIWMLKBL-UHFFFAOYSA-N -1 3 314.345 2.166 20 5 DEBDHM O=c1[n-]ccc(NCCN2Cc3ccccc3C2)c1[N+](=O)[O-] ZINC000596099989 358610799 /nfs/dbraw/zinc/61/07/99/358610799.db2.gz YHNIBAZFAQIQHV-UHFFFAOYSA-N -1 3 300.318 2.123 20 5 DEBDHM Cc1c(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cnn1C1CCOCC1 ZINC000596259715 358654619 /nfs/dbraw/zinc/65/46/19/358654619.db2.gz UXOADIYWSVNLFG-UHFFFAOYSA-N -1 3 319.321 2.295 20 5 DEBDHM CCOC(=O)[C@]1(C)CCC[C@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596557679 358713020 /nfs/dbraw/zinc/71/30/20/358713020.db2.gz WGKLXZZOGRSXTP-QMTHXVAHSA-N -1 3 309.322 2.229 20 5 DEBDHM Cc1c(CNC(=O)c2c([O-])cccc2O)cccc1[N+](=O)[O-] ZINC000436663401 237759893 /nfs/dbraw/zinc/75/98/93/237759893.db2.gz IWMXUFBKOYVPNQ-UHFFFAOYSA-N -1 3 302.286 2.244 20 5 DEBDHM Cc1cc(S(=O)(=O)[N-][C@@]23C[C@@H]2CCC3)c(F)cc1[N+](=O)[O-] ZINC000601462043 360047298 /nfs/dbraw/zinc/04/72/98/360047298.db2.gz PYORAJRCCXZQPR-ZANVPECISA-N -1 3 314.338 2.263 20 5 DEBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000601521254 360061787 /nfs/dbraw/zinc/06/17/87/360061787.db2.gz LZRAMWJIPZTVLN-RKDXNWHRSA-N -1 3 324.280 2.132 20 5 DEBDHM O=C1[N-]N(c2ccc([N+](=O)[O-])cc2Cl)C(=O)[C@@H]2CCC[C@@H]12 ZINC000601938710 360199422 /nfs/dbraw/zinc/19/94/22/360199422.db2.gz IQWVYNQAFHYNLD-RKDXNWHRSA-N -1 3 309.709 2.042 20 5 DEBDHM O=C([N-]c1nc2ccc(F)cn2n1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000443931636 238130616 /nfs/dbraw/zinc/13/06/16/238130616.db2.gz WKBPTLUHQFFXCM-UHFFFAOYSA-N -1 3 319.227 2.168 20 5 DEBDHM Cc1[nH+][n-]c2nnc([N-]C(=O)c3ccc([N+](=O)[O-])s3)c-2c1C ZINC000609488783 361315586 /nfs/dbraw/zinc/31/55/86/361315586.db2.gz HXYDZESDNMWXBG-UHFFFAOYSA-N -1 3 318.318 2.192 20 5 DEBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cnc(C)[n-]c1=O ZINC000446483807 238744602 /nfs/dbraw/zinc/74/46/02/238744602.db2.gz DXGGGNHSDNVDJJ-UHFFFAOYSA-N -1 3 317.305 2.029 20 5 DEBDHM CCc1cc(C(=O)[N-]c2cc(C(=O)OC)cc([N+](=O)[O-])c2)no1 ZINC001353990424 1151865422 /nfs/dbraw/zinc/86/54/22/1151865422.db2.gz RZEIRSCZFFKUDD-UHFFFAOYSA-N -1 3 319.273 2.184 20 5 DEBDHM Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCc2cccc([O-])c21 ZINC000315875933 291697091 /nfs/dbraw/zinc/69/70/91/291697091.db2.gz JDBYSZDZHRCRAA-UHFFFAOYSA-N -1 3 301.302 2.232 20 5 DEBDHM Cc1ccc(S(=O)(=O)[N-]Cc2ncccc2C)c([N+](=O)[O-])c1 ZINC000355398043 133024314 /nfs/dbraw/zinc/02/43/14/133024314.db2.gz HADSQIPCAXTOTE-UHFFFAOYSA-N -1 3 321.358 2.085 20 5 DEBDHM Cc1ccc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c(=O)[nH]1 ZINC000359641089 133136336 /nfs/dbraw/zinc/13/63/36/133136336.db2.gz MEIWKEUPYDSYPU-UHFFFAOYSA-N -1 3 323.330 2.113 20 5 DEBDHM COc1cc(NCc2nnc(C(F)(F)F)[n-]2)ccc1[N+](=O)[O-] ZINC000359670009 133138230 /nfs/dbraw/zinc/13/82/30/133138230.db2.gz HSASUEVOAFZGGO-UHFFFAOYSA-N -1 3 317.227 2.352 20 5 DEBDHM COc1cc(NCc2n[n-]c(C(F)(F)F)n2)ccc1[N+](=O)[O-] ZINC000359670009 133138231 /nfs/dbraw/zinc/13/82/31/133138231.db2.gz HSASUEVOAFZGGO-UHFFFAOYSA-N -1 3 317.227 2.352 20 5 DEBDHM COc1cc(NCc2nc(C(F)(F)F)n[n-]2)ccc1[N+](=O)[O-] ZINC000359670009 133138232 /nfs/dbraw/zinc/13/82/32/133138232.db2.gz HSASUEVOAFZGGO-UHFFFAOYSA-N -1 3 317.227 2.352 20 5 DEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c1 ZINC000359267553 147295384 /nfs/dbraw/zinc/29/53/84/147295384.db2.gz WXDQRFKMFYJZOP-UHFFFAOYSA-N -1 3 315.211 2.292 20 5 DEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c1 ZINC000359267553 147295387 /nfs/dbraw/zinc/29/53/87/147295387.db2.gz WXDQRFKMFYJZOP-UHFFFAOYSA-N -1 3 315.211 2.292 20 5 DEBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000074174837 401732444 /nfs/dbraw/zinc/73/24/44/401732444.db2.gz ORQHDDRVKMAWEJ-SSDOTTSWSA-N -1 3 304.755 2.325 20 5 DEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCCC(C)C ZINC000032418676 401878609 /nfs/dbraw/zinc/87/86/09/401878609.db2.gz WPXCSTGTIPJUAU-UHFFFAOYSA-N -1 3 316.379 2.318 20 5 DEBDHM Cc1cnccc1C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000188839238 402526683 /nfs/dbraw/zinc/52/66/83/402526683.db2.gz BLPMDEGQTRHJSY-UHFFFAOYSA-N -1 3 321.358 2.085 20 5 DEBDHM CCC[C@H](CC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000195212482 402837072 /nfs/dbraw/zinc/83/70/72/402837072.db2.gz BFJHWGCVPFKJFI-JTQLQIEISA-N -1 3 316.379 2.460 20 5 DEBDHM C[C@H](C1CCN(C)CC1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000274829882 403091914 /nfs/dbraw/zinc/09/19/14/403091914.db2.gz RPXUWYDWZRSQLD-LLVKDONJSA-N -1 3 321.377 2.103 20 5 DEBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000284287012 403260212 /nfs/dbraw/zinc/26/02/12/403260212.db2.gz NSKQKHIHUSQWHF-ZYHUDNBSSA-N -1 3 318.333 2.212 20 5 DEBDHM COc1cc(C(=O)Nc2nc(C)ccc2[O-])ccc1[N+](=O)[O-] ZINC000345946877 403544155 /nfs/dbraw/zinc/54/41/55/403544155.db2.gz UUJFIEGMOKPLPF-UHFFFAOYSA-N -1 3 303.274 2.265 20 5 DEBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCN(C2CCCC2)CC1 ZINC000332455307 403586529 /nfs/dbraw/zinc/58/65/29/403586529.db2.gz NIFVBDLEWRRQHH-UHFFFAOYSA-N -1 3 305.378 2.361 20 5 DEBDHM CCO[C@H]1C[C@](NCc2cccc([N+](=O)[O-])c2)(C(=O)[O-])C1(C)C ZINC000340697586 403650768 /nfs/dbraw/zinc/65/07/68/403650768.db2.gz LPINZQFORZMGCM-BBRMVZONSA-N -1 3 322.361 2.343 20 5 DEBDHM CCO[C@@H]1C[C@@](NCc2cccc([N+](=O)[O-])c2)(C(=O)[O-])C1(C)C ZINC000340697588 403651309 /nfs/dbraw/zinc/65/13/09/403651309.db2.gz LPINZQFORZMGCM-CZUORRHYSA-N -1 3 322.361 2.343 20 5 DEBDHM CC[C@@H](C)CO[N-]C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000295288339 403834435 /nfs/dbraw/zinc/83/44/35/403834435.db2.gz IZCSMGYVWKMFFP-MRVPVSSYSA-N -1 3 300.286 2.450 20 5 DEBDHM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@H](N2CCCCC2)C1 ZINC000324230321 404098987 /nfs/dbraw/zinc/09/89/87/404098987.db2.gz XKNQENHZYNOLCS-ZDUSSCGKSA-N -1 3 319.361 2.001 20 5 DEBDHM COc1ccc([N-]S(=O)(=O)CCCCF)cc1[N+](=O)[O-] ZINC000342439686 404577932 /nfs/dbraw/zinc/57/79/32/404577932.db2.gz ANQWQQDPKWPTQW-UHFFFAOYSA-N -1 3 306.315 2.095 20 5 DEBDHM CCOC(=O)c1ccc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c(O)c1 ZINC000356794009 404693485 /nfs/dbraw/zinc/69/34/85/404693485.db2.gz DBUFLOMRBVLVSR-UHFFFAOYSA-N -1 3 320.257 2.322 20 5 DEBDHM CCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)c([O-])c1 ZINC000356794009 404693488 /nfs/dbraw/zinc/69/34/88/404693488.db2.gz DBUFLOMRBVLVSR-UHFFFAOYSA-N -1 3 320.257 2.322 20 5 DEBDHM Cc1sc(S(=O)(=O)[N-]C[C@H]2CC23CC3)cc1[N+](=O)[O-] ZINC000416654628 405209155 /nfs/dbraw/zinc/20/91/55/405209155.db2.gz WEDKAJJOQDOMOD-MRVPVSSYSA-N -1 3 302.377 2.043 20 5 DEBDHM C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436962524 405169219 /nfs/dbraw/zinc/16/92/19/405169219.db2.gz FGYOGOAICQBOGL-RYUDHWBXSA-N -1 3 321.377 2.151 20 5 DEBDHM O=C([O-])CCN(Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000568521225 292347485 /nfs/dbraw/zinc/34/74/85/292347485.db2.gz UTSQDNYJVMSZJS-CQSZACIVSA-N -1 3 308.334 2.051 20 5 DEBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)C(C)(F)F)ccc1[N+](=O)[O-] ZINC000451073602 406040194 /nfs/dbraw/zinc/04/01/94/406040194.db2.gz RYSJTAGPHNGAFI-MRVPVSSYSA-N -1 3 308.306 2.225 20 5 DEBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)C(C)(F)F ZINC000451074873 406040243 /nfs/dbraw/zinc/04/02/43/406040243.db2.gz YVVATAJZGAKQGM-QMMMGPOBSA-N -1 3 308.306 2.225 20 5 DEBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C)C(F)F ZINC000451087449 406046749 /nfs/dbraw/zinc/04/67/49/406046749.db2.gz WZYUQZHSOXMEHY-VIFPVBQESA-N -1 3 308.306 2.225 20 5 DEBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]CC(C)(F)F)c1C ZINC000549522992 406586102 /nfs/dbraw/zinc/58/61/02/406586102.db2.gz OSEINSXAGVUIIM-UHFFFAOYSA-N -1 3 308.306 2.145 20 5 DEBDHM C[C@@H]1CCC[C@@H](C)N1CCNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000571330843 292542785 /nfs/dbraw/zinc/54/27/85/292542785.db2.gz NGCVITXPEBDSJN-GHMZBOCLSA-N -1 3 322.365 2.363 20 5 DEBDHM CC(C)(C)c1nnc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)s1 ZINC000132378461 196250892 /nfs/dbraw/zinc/25/08/92/196250892.db2.gz MDIRVKJVQUZCJH-UHFFFAOYSA-N -1 3 323.334 2.097 20 5 DEBDHM C[C@H](C1CC1)n1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cn1 ZINC000189033666 225041925 /nfs/dbraw/zinc/04/19/25/225041925.db2.gz MNUKPLSCLOHJAI-MRVPVSSYSA-N -1 3 317.305 2.115 20 5 DEBDHM COc1ccc([O-])c(-c2nc(CCC(C)(C)[N+](=O)[O-])no2)c1 ZINC000291065254 222110705 /nfs/dbraw/zinc/11/07/05/222110705.db2.gz KQWMLQWUMNDCQP-UHFFFAOYSA-N -1 3 307.306 2.439 20 5 DEBDHM COc1cc(C)ccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193440049 533684294 /nfs/dbraw/zinc/68/42/94/533684294.db2.gz HANDCKILYIEQFK-UHFFFAOYSA-N -1 3 303.274 2.265 20 5 DEBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000449549822 280369047 /nfs/dbraw/zinc/36/90/47/280369047.db2.gz ASMSUWYEUNLDEL-MBNYWOFBSA-N -1 3 306.362 2.283 20 5 DEBDHM COc1ccc([O-])c(C(=O)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC000089313001 281614828 /nfs/dbraw/zinc/61/48/28/281614828.db2.gz VFMNGPPJUBSKLB-UHFFFAOYSA-N -1 3 316.313 2.282 20 5 DEBDHM CN(C)Cc1ccccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000576577337 326303621 /nfs/dbraw/zinc/30/36/21/326303621.db2.gz XEYUNOBYDRQBCT-UHFFFAOYSA-N -1 3 316.317 2.009 20 5 DEBDHM C[C@@H](Nc1ccc([N+](=O)[O-])nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820460821 599355181 /nfs/dbraw/zinc/35/51/81/599355181.db2.gz CFBWSBQCEZIHQC-SECBINFHSA-N -1 3 311.305 2.343 20 5 DEBDHM C[C@@H](Nc1ccc([N+](=O)[O-])nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820460821 599355182 /nfs/dbraw/zinc/35/51/82/599355182.db2.gz CFBWSBQCEZIHQC-SECBINFHSA-N -1 3 311.305 2.343 20 5 DEBDHM CO[C@@H]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826146679 608417966 /nfs/dbraw/zinc/41/79/66/608417966.db2.gz ZSDXGRKDNFRKJY-TVQRCGJNSA-N -1 3 318.337 2.002 20 5 DEBDHM CO[C@@H]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826146679 608417967 /nfs/dbraw/zinc/41/79/67/608417967.db2.gz ZSDXGRKDNFRKJY-TVQRCGJNSA-N -1 3 318.337 2.002 20 5 DEBDHM C[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccccc1[N+](=O)[O-] ZINC000824613540 608429025 /nfs/dbraw/zinc/42/90/25/608429025.db2.gz UNTXMPGUIJCCEE-VIFPVBQESA-N -1 3 314.305 2.219 20 5 DEBDHM C[C@H](NCc1ccc(-c2nn[n-]n2)o1)c1ccccc1[N+](=O)[O-] ZINC000824613540 608429031 /nfs/dbraw/zinc/42/90/31/608429031.db2.gz UNTXMPGUIJCCEE-VIFPVBQESA-N -1 3 314.305 2.219 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1S[C@@H]1CCCOC1 ZINC000826497598 609580207 /nfs/dbraw/zinc/58/02/07/609580207.db2.gz MUINNBBIAAWMDI-SECBINFHSA-N -1 3 307.335 2.046 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1S[C@@H]1CCCOC1 ZINC000826497598 609580210 /nfs/dbraw/zinc/58/02/10/609580210.db2.gz MUINNBBIAAWMDI-SECBINFHSA-N -1 3 307.335 2.046 20 5 DEBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1cn(CC2CC2)nn1 ZINC000839352310 637856923 /nfs/dbraw/zinc/85/69/23/637856923.db2.gz AZBHYZSLNLQOEA-UHFFFAOYSA-N -1 3 319.296 2.296 20 5 DEBDHM CC(C)(C)c1cc2n(n1)CCN(c1cc[n-]c(=O)c1[N+](=O)[O-])C2 ZINC000896224803 638419748 /nfs/dbraw/zinc/41/97/48/638419748.db2.gz NNQWYKDWTHMIRD-UHFFFAOYSA-N -1 3 317.349 2.210 20 5 DEBDHM O=C([N-]Cc1ccccc1[N+](=O)[O-])C(F)(F)c1nccs1 ZINC000756658913 639682613 /nfs/dbraw/zinc/68/26/13/639682613.db2.gz NOYMWNJBEHUEPI-UHFFFAOYSA-N -1 3 313.285 2.460 20 5 DEBDHM COCCN(CCC(=O)[O-])Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000901661286 642745767 /nfs/dbraw/zinc/74/57/67/642745767.db2.gz HCYLJPRIVSLZOK-UHFFFAOYSA-N -1 3 316.741 2.171 20 5 DEBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[N-]OC/C=C\Cl ZINC000812408526 646650485 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RZFPKBWKUMLRTQ-CBAPKCEASA-N -1 3 306.351 2.081 20 5 DEBDHM C[C@@H]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590253160 1076601125 /nfs/dbraw/zinc/60/11/25/1076601125.db2.gz QYZYKVHYZPSUOG-NXEZZACHSA-N -1 3 317.353 2.408 20 5 DEBDHM C[C@@H]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590253160 1076601126 /nfs/dbraw/zinc/60/11/26/1076601126.db2.gz QYZYKVHYZPSUOG-NXEZZACHSA-N -1 3 317.353 2.408 20 5 DEBDHM C[C@@H]1OCC[C@@H]1SCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590335056 1076613274 /nfs/dbraw/zinc/61/32/74/1076613274.db2.gz GCTCAYPMDOESIA-UFBFGSQYSA-N -1 3 321.362 2.186 20 5 DEBDHM C[C@@H]1OCC[C@@H]1SCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590335056 1076613277 /nfs/dbraw/zinc/61/32/77/1076613277.db2.gz GCTCAYPMDOESIA-UFBFGSQYSA-N -1 3 321.362 2.186 20 5 DEBDHM CC[C@@H](C)[C@@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])OC ZINC001590401143 1076620718 /nfs/dbraw/zinc/62/07/18/1076620718.db2.gz UQJDYOHDDUUJLI-BXKDBHETSA-N -1 3 320.353 2.248 20 5 DEBDHM CC[C@@H](C)[C@@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])OC ZINC001590401143 1076620720 /nfs/dbraw/zinc/62/07/20/1076620720.db2.gz UQJDYOHDDUUJLI-BXKDBHETSA-N -1 3 320.353 2.248 20 5 DEBDHM CC[C@H](C)C[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590406394 1076621505 /nfs/dbraw/zinc/62/15/05/1076621505.db2.gz NEEFOCIFSSQPGR-IUCAKERBSA-N -1 3 305.342 2.407 20 5 DEBDHM CC[C@H](C)C[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590406394 1076621508 /nfs/dbraw/zinc/62/15/08/1076621508.db2.gz NEEFOCIFSSQPGR-IUCAKERBSA-N -1 3 305.342 2.407 20 5 DEBDHM CN(CCc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC001591121238 1076710033 /nfs/dbraw/zinc/71/00/33/1076710033.db2.gz PSRLGPVJSYPZOX-UHFFFAOYSA-N -1 3 324.344 2.454 20 5 DEBDHM CN(CCc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC001591121238 1076710036 /nfs/dbraw/zinc/71/00/36/1076710036.db2.gz PSRLGPVJSYPZOX-UHFFFAOYSA-N -1 3 324.344 2.454 20 5 DEBDHM CO[C@@H]1CCC[C@H]1CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591361189 1076733656 /nfs/dbraw/zinc/73/36/56/1076733656.db2.gz LEGSEQYIEDLGAJ-GXFFZTMASA-N -1 3 318.337 2.002 20 5 DEBDHM CO[C@@H]1CCC[C@H]1CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591361189 1076733658 /nfs/dbraw/zinc/73/36/58/1076733658.db2.gz LEGSEQYIEDLGAJ-GXFFZTMASA-N -1 3 318.337 2.002 20 5 DEBDHM Cc1cc(NC[C@H]2CCSC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592045739 1076836905 /nfs/dbraw/zinc/83/69/05/1076836905.db2.gz YMXQKARTFPMMCS-SECBINFHSA-N -1 3 320.378 2.248 20 5 DEBDHM Cc1cc(NC[C@H]2CCSC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592045739 1076836907 /nfs/dbraw/zinc/83/69/07/1076836907.db2.gz YMXQKARTFPMMCS-SECBINFHSA-N -1 3 320.378 2.248 20 5 DEBDHM Cc1cc(NCc2ccncc2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592053263 1076840892 /nfs/dbraw/zinc/84/08/92/1076840892.db2.gz UMLVOAOSJXQDSB-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1cc(NCc2ccncc2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592053263 1076840894 /nfs/dbraw/zinc/84/08/94/1076840894.db2.gz UMLVOAOSJXQDSB-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM O=C(CC1CCC1)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001592820023 1076961724 /nfs/dbraw/zinc/96/17/24/1076961724.db2.gz NMSHAZRYEIBAJD-UHFFFAOYSA-N -1 3 317.305 2.008 20 5 DEBDHM O=C(CC1CCC1)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001592820023 1076961728 /nfs/dbraw/zinc/96/17/28/1076961728.db2.gz NMSHAZRYEIBAJD-UHFFFAOYSA-N -1 3 317.305 2.008 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1Sc1cccc(F)c1 ZINC001593472897 1077006519 /nfs/dbraw/zinc/00/65/19/1077006519.db2.gz CCHZMPHVTNFZDZ-UHFFFAOYSA-N -1 3 318.293 2.460 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1Sc1cccc(F)c1 ZINC001593472897 1077006525 /nfs/dbraw/zinc/00/65/25/1077006525.db2.gz CCHZMPHVTNFZDZ-UHFFFAOYSA-N -1 3 318.293 2.460 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCCC1=CCCC1 ZINC001593471428 1077006588 /nfs/dbraw/zinc/00/65/88/1077006588.db2.gz QQQMALXZGLFMCM-UHFFFAOYSA-N -1 3 301.310 2.082 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCCC1=CCCC1 ZINC001593471428 1077006593 /nfs/dbraw/zinc/00/65/93/1077006593.db2.gz QQQMALXZGLFMCM-UHFFFAOYSA-N -1 3 301.310 2.082 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CCC[C@@H](F)C1 ZINC001593471861 1077006683 /nfs/dbraw/zinc/00/66/83/1077006683.db2.gz VOUSIMPQVDOMNQ-NXEZZACHSA-N -1 3 306.301 2.468 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCC[C@@H](F)C1 ZINC001593471861 1077006688 /nfs/dbraw/zinc/00/66/88/1077006688.db2.gz VOUSIMPQVDOMNQ-NXEZZACHSA-N -1 3 306.301 2.468 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CC2(C1)CCCC2 ZINC001593475501 1077008023 /nfs/dbraw/zinc/00/80/23/1077008023.db2.gz PVUHSGKEOCULMB-UHFFFAOYSA-N -1 3 300.322 2.155 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CC2(C1)CCCC2 ZINC001593475501 1077008028 /nfs/dbraw/zinc/00/80/28/1077008028.db2.gz PVUHSGKEOCULMB-UHFFFAOYSA-N -1 3 300.322 2.155 20 5 DEBDHM O=C([O-])C1(CNCc2nc3cc([N+](=O)[O-])ccc3o2)CCCC1 ZINC001601708439 1077438407 /nfs/dbraw/zinc/43/84/07/1077438407.db2.gz OEXAIRRRVVIFGW-UHFFFAOYSA-N -1 3 319.317 2.471 20 5 DEBDHM C[C@H]1CCCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)[C@H]1C ZINC001609166919 1077782273 /nfs/dbraw/zinc/78/22/73/1077782273.db2.gz KAWBCHZMJUETMD-UWVGGRQHSA-N -1 3 302.338 2.400 20 5 DEBDHM CC[C@H]1CCCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001609200923 1077795642 /nfs/dbraw/zinc/79/56/42/1077795642.db2.gz POHQNMCTQHSQLN-JTQLQIEISA-N -1 3 302.338 2.401 20 5 DEBDHM CC[C@H]1CCCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001609200923 1077795647 /nfs/dbraw/zinc/79/56/47/1077795647.db2.gz POHQNMCTQHSQLN-JTQLQIEISA-N -1 3 302.338 2.401 20 5 DEBDHM CS[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001609369743 1077842337 /nfs/dbraw/zinc/84/23/37/1077842337.db2.gz KSDNAUCBVQYHBK-SCZZXKLOSA-N -1 3 320.378 2.471 20 5 DEBDHM CS[C@H]1CC[C@@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001609369670 1077842920 /nfs/dbraw/zinc/84/29/20/1077842920.db2.gz INXKEDOKAPVMQC-BDAKNGLRSA-N -1 3 320.378 2.471 20 5 DEBDHM CS[C@H]1CC[C@@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001609369670 1077842923 /nfs/dbraw/zinc/84/29/23/1077842923.db2.gz INXKEDOKAPVMQC-BDAKNGLRSA-N -1 3 320.378 2.471 20 5 DEBDHM O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]2C2CCC2)c(-c2nnn[n-]2)c1 ZINC001609602093 1077881970 /nfs/dbraw/zinc/88/19/70/1077881970.db2.gz NPEKBXNMJMCZRK-GXFFZTMASA-N -1 3 300.322 2.375 20 5 DEBDHM O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]2C2CCC2)c(-c2nn[n-]n2)c1 ZINC001609602093 1077881973 /nfs/dbraw/zinc/88/19/73/1077881973.db2.gz NPEKBXNMJMCZRK-GXFFZTMASA-N -1 3 300.322 2.375 20 5 DEBDHM O=[N+]([O-])c1ccc(C=Cc2ccncc2-c2nnn[n-]2)c(F)c1 ZINC001609601550 1077882570 /nfs/dbraw/zinc/88/25/70/1077882570.db2.gz NDZZQGILSMDQSN-OWOJBTEDSA-N -1 3 312.264 2.479 20 5 DEBDHM O=[N+]([O-])c1ccc(C=Cc2ccncc2-c2nn[n-]n2)c(F)c1 ZINC001609601550 1077882572 /nfs/dbraw/zinc/88/25/72/1077882572.db2.gz NDZZQGILSMDQSN-OWOJBTEDSA-N -1 3 312.264 2.479 20 5 DEBDHM Cc1ccc(NC(=O)CN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001654946031 1079982875 /nfs/dbraw/zinc/98/28/75/1079982875.db2.gz MTCDUEWGBIORIQ-UHFFFAOYSA-N -1 3 316.317 2.079 20 5 DEBDHM C[S@](=O)Cc1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001655460850 1079998745 /nfs/dbraw/zinc/99/87/45/1079998745.db2.gz OPTUDLOKIKUZNO-QFIPXVFZSA-N -1 3 321.358 2.186 20 5 DEBDHM CC(C)C(=O)N[C@H]1CC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001063349260 1087408469 /nfs/dbraw/zinc/40/84/69/1087408469.db2.gz FKSNJJPWWLUKHZ-XYPYZODXSA-N -1 3 322.365 2.191 20 5 DEBDHM CCCCC(=O)N[C@H]1C[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001114737472 1088332682 /nfs/dbraw/zinc/33/26/82/1088332682.db2.gz GRXBMTJNCSKCCT-XYPYZODXSA-N -1 3 322.365 2.192 20 5 DEBDHM CC(C)Cc1nnc(-c2n[n-]c([N+](=O)[O-])c2Br)o1 ZINC001256471811 1143850390 /nfs/dbraw/zinc/85/03/90/1143850390.db2.gz DUBFEUMWZGCBQG-UHFFFAOYSA-N -1 3 316.115 2.329 20 5 DEBDHM CC(C)Cc1nnc(-c2[n-]nc([N+](=O)[O-])c2Br)o1 ZINC001256471811 1143850391 /nfs/dbraw/zinc/85/03/91/1143850391.db2.gz DUBFEUMWZGCBQG-UHFFFAOYSA-N -1 3 316.115 2.329 20 5 DEBDHM COc1ccc([C@@H]2CCCN2c2cc[n-]c(=O)c2[N+](=O)[O-])nc1 ZINC001307229753 1147408561 /nfs/dbraw/zinc/40/85/61/1147408561.db2.gz GQQVBXGFACBEBW-LBPRGKRZSA-N -1 3 316.317 2.441 20 5 DEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1C=CCC1 ZINC001309805852 1147508195 /nfs/dbraw/zinc/50/81/95/1147508195.db2.gz RUFTZFLJCSCDGX-VIFPVBQESA-N -1 3 316.766 2.493 20 5 DEBDHM Cc1ncc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)s1 ZINC000337302982 282163091 /nfs/dbraw/zinc/16/30/91/282163091.db2.gz QAOSJIMBKHFTFT-UHFFFAOYSA-N -1 3 303.303 2.488 20 5 DEBDHM CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](C(=O)[O-])C(C)C ZINC000277214929 213371914 /nfs/dbraw/zinc/37/19/14/213371914.db2.gz HKZZLBXZGWWDGT-CYBMUJFWSA-N -1 3 310.350 2.440 20 5 DEBDHM CCN1CC[C@H]2CC[C@@H](C1)N2Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000091892266 355611273 /nfs/dbraw/zinc/61/12/73/355611273.db2.gz DQZGOQFTHAZNCE-KGLIPLIRSA-N -1 3 305.378 2.359 20 5 DEBDHM O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc([O-])c(F)c1 ZINC000132715179 355853118 /nfs/dbraw/zinc/85/31/18/355853118.db2.gz NAHYFDIJTKFQAT-UHFFFAOYSA-N -1 3 304.277 2.298 20 5 DEBDHM COc1ccc(CN2C[C@@H](C)[C@@](C)(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000579485218 356983209 /nfs/dbraw/zinc/98/32/09/356983209.db2.gz HGKBYDYUIXAJHR-BMIGLBTASA-N -1 3 308.334 2.146 20 5 DEBDHM COc1cc(CN2CCC[C@](C)(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000581889311 357263819 /nfs/dbraw/zinc/26/38/19/357263819.db2.gz PXCXPLIUQJYSBU-HNNXBMFYSA-N -1 3 308.334 2.290 20 5 DEBDHM O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000594417716 358262973 /nfs/dbraw/zinc/26/29/73/358262973.db2.gz FGLFZHGKKZTIMX-CABCVRRESA-N -1 3 319.361 2.047 20 5 DEBDHM O=C1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CN1C1CCCCC1 ZINC000596166590 358627217 /nfs/dbraw/zinc/62/72/17/358627217.db2.gz WEEAZYGWEYZWTK-JTQLQIEISA-N -1 3 320.349 2.041 20 5 DEBDHM O=c1[n-]ccc(N[C@H]2CCO[C@@]3(CCSC3)C2)c1[N+](=O)[O-] ZINC000596166073 358627275 /nfs/dbraw/zinc/62/72/75/358627275.db2.gz PLYAJTPXWGZYFD-ZANVPECISA-N -1 3 311.363 2.162 20 5 DEBDHM O=c1[n-]ccc(NCc2nnc(C3CC3)n2C2CC2)c1[N+](=O)[O-] ZINC000596195698 358636486 /nfs/dbraw/zinc/63/64/86/358636486.db2.gz VLJCBLXLGCJCIF-UHFFFAOYSA-N -1 3 316.321 2.111 20 5 DEBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])CCC(F)(F)F ZINC000596209215 358640739 /nfs/dbraw/zinc/64/07/39/358640739.db2.gz DFXUFMWRWQJQIG-UHFFFAOYSA-N -1 3 322.287 2.382 20 5 DEBDHM O=c1[n-]ccc(N[C@@H]2CCCN(CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000596235006 358648564 /nfs/dbraw/zinc/64/85/64/358648564.db2.gz POWKNGMTAKZNGY-MRVPVSSYSA-N -1 3 320.271 2.134 20 5 DEBDHM O=c1[n-]ccc(NCC2CCN(CC(F)F)CC2)c1[N+](=O)[O-] ZINC000596240256 358649773 /nfs/dbraw/zinc/64/97/73/358649773.db2.gz VUBCHCVPUHZIQQ-UHFFFAOYSA-N -1 3 316.308 2.084 20 5 DEBDHM COC(=O)c1cc(F)ccc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000603772376 360857607 /nfs/dbraw/zinc/85/76/07/360857607.db2.gz QKVRQBDUERANJV-UHFFFAOYSA-N -1 3 308.221 2.366 20 5 DEBDHM C[C@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@H](C)C1 ZINC000269105630 207245254 /nfs/dbraw/zinc/24/52/54/207245254.db2.gz BGOSULOPNHJQIL-NWDGAFQWSA-N -1 3 321.377 2.151 20 5 DEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1CCCS1 ZINC000152300871 196803945 /nfs/dbraw/zinc/80/39/45/196803945.db2.gz GMGKEZWNNUXTFX-JTQLQIEISA-N -1 3 316.404 2.077 20 5 DEBDHM O=[N+]([O-])c1cccc(NC([O-])=NOC[C@@H]2CCOC2)c1Cl ZINC000289623410 221110343 /nfs/dbraw/zinc/11/03/43/221110343.db2.gz JYHUWJWXZHRQTO-MRVPVSSYSA-N -1 3 315.713 2.338 20 5 DEBDHM O=C([N-]OC[C@@H]1CCOC1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289623410 221110347 /nfs/dbraw/zinc/11/03/47/221110347.db2.gz JYHUWJWXZHRQTO-MRVPVSSYSA-N -1 3 315.713 2.338 20 5 DEBDHM COCCCON=C([O-])Nc1cccc([N+](=O)[O-])c1Cl ZINC000289667574 221142148 /nfs/dbraw/zinc/14/21/48/221142148.db2.gz MQJIWLWPVKDNNZ-UHFFFAOYSA-N -1 3 303.702 2.338 20 5 DEBDHM COCCCO[N-]C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289667574 221142150 /nfs/dbraw/zinc/14/21/50/221142150.db2.gz MQJIWLWPVKDNNZ-UHFFFAOYSA-N -1 3 303.702 2.338 20 5 DEBDHM COc1cccc(C(=O)NCc2ccc([O-])c(F)c2)c1[N+](=O)[O-] ZINC000192791121 533410931 /nfs/dbraw/zinc/41/09/31/533410931.db2.gz WXWMUCJYODXJOJ-UHFFFAOYSA-N -1 3 320.276 2.378 20 5 DEBDHM Cc1ccnc(NCc2nnc(C(F)(F)F)[n-]2)c1[N+](=O)[O-] ZINC000359690748 133139244 /nfs/dbraw/zinc/13/92/44/133139244.db2.gz XCNXXKGAPOSGKK-UHFFFAOYSA-N -1 3 302.216 2.047 20 5 DEBDHM Cc1ccnc(NCc2n[n-]c(C(F)(F)F)n2)c1[N+](=O)[O-] ZINC000359690748 133139245 /nfs/dbraw/zinc/13/92/45/133139245.db2.gz XCNXXKGAPOSGKK-UHFFFAOYSA-N -1 3 302.216 2.047 20 5 DEBDHM Cc1ccnc(NCc2nc(C(F)(F)F)n[n-]2)c1[N+](=O)[O-] ZINC000359690748 133139246 /nfs/dbraw/zinc/13/92/46/133139246.db2.gz XCNXXKGAPOSGKK-UHFFFAOYSA-N -1 3 302.216 2.047 20 5 DEBDHM COc1ccc([N-]C(=O)c2cn(C(C)(C)C)nn2)c([N+](=O)[O-])c1 ZINC000190573319 145044268 /nfs/dbraw/zinc/04/42/68/145044268.db2.gz HEAZIKUBNJJSRW-UHFFFAOYSA-N -1 3 319.321 2.202 20 5 DEBDHM COCc1nsc([N-]C(=O)c2cc(C)ccc2[N+](=O)[O-])n1 ZINC000130223990 401823505 /nfs/dbraw/zinc/82/35/05/401823505.db2.gz SXPQIYCSLMPVFG-UHFFFAOYSA-N -1 3 308.319 2.153 20 5 DEBDHM C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000097667630 402129176 /nfs/dbraw/zinc/12/91/76/402129176.db2.gz SFIBRLTYWMQKPO-VXGBXAGGSA-N -1 3 321.377 2.151 20 5 DEBDHM O=C(N[C@H]1CCN(C2CCCC2)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000106919694 402222188 /nfs/dbraw/zinc/22/21/88/402222188.db2.gz SFBALZXEIODOKG-LBPRGKRZSA-N -1 3 319.361 2.047 20 5 DEBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2CCCS2)cc1[N+](=O)[O-] ZINC000125376111 402228480 /nfs/dbraw/zinc/22/84/80/402228480.db2.gz VDEDTADPGNUCJL-QMMMGPOBSA-N -1 3 322.433 2.139 20 5 DEBDHM Cc1ccc([N+](=O)[O-])c(OCCC(=O)[N-]OC/C=C/Cl)c1 ZINC000292263505 403337134 /nfs/dbraw/zinc/33/71/34/403337134.db2.gz VZDQTTBNQCBGOP-QHHAFSJGSA-N -1 3 314.725 2.472 20 5 DEBDHM Cc1nc([C@@H]2CCCN(Cc3cc([O-])ccc3[N+](=O)[O-])C2)n[nH]1 ZINC000332369694 403562749 /nfs/dbraw/zinc/56/27/49/403562749.db2.gz WLWNNVZUSJPQMV-LLVKDONJSA-N -1 3 317.349 2.107 20 5 DEBDHM Cc1n[nH]c([C@@H]2CCCN(Cc3cc([O-])ccc3[N+](=O)[O-])C2)n1 ZINC000332369694 403562754 /nfs/dbraw/zinc/56/27/54/403562754.db2.gz WLWNNVZUSJPQMV-LLVKDONJSA-N -1 3 317.349 2.107 20 5 DEBDHM Cc1nnc([C@@H]2CCCN(Cc3cc([O-])ccc3[N+](=O)[O-])C2)[nH]1 ZINC000332369694 403562757 /nfs/dbraw/zinc/56/27/57/403562757.db2.gz WLWNNVZUSJPQMV-LLVKDONJSA-N -1 3 317.349 2.107 20 5 DEBDHM CC(C)O[N-]C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000294242658 403681985 /nfs/dbraw/zinc/68/19/85/403681985.db2.gz WETAQJKMHHNLFF-UHFFFAOYSA-N -1 3 303.112 2.427 20 5 DEBDHM CC[C@H](C)[C@H](CNCc1cc(OC)c([O-])cc1[N+](=O)[O-])OC ZINC000294919753 403737704 /nfs/dbraw/zinc/73/77/04/403737704.db2.gz YOILOXFVKQVPFL-BONVTDFDSA-N -1 3 312.366 2.460 20 5 DEBDHM CC(=O)c1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1F ZINC000341068066 403758529 /nfs/dbraw/zinc/75/85/29/403758529.db2.gz AVNJUBQDRRMICO-UHFFFAOYSA-N -1 3 319.248 2.289 20 5 DEBDHM Cc1nc([N-]C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)nn1C ZINC000295234180 403806180 /nfs/dbraw/zinc/80/61/80/403806180.db2.gz CTUNUAXIEZGXIF-UHFFFAOYSA-N -1 3 309.713 2.246 20 5 DEBDHM Cc1[nH]nc(C(=O)[N-]c2cc(F)c(F)c(F)c2)c1[N+](=O)[O-] ZINC000355460196 404340266 /nfs/dbraw/zinc/34/02/66/404340266.db2.gz VYTBZFXWRYBSOD-UHFFFAOYSA-N -1 3 300.196 2.296 20 5 DEBDHM NC(=O)c1ccc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)s1 ZINC000342429413 404572618 /nfs/dbraw/zinc/57/26/18/404572618.db2.gz OSXZCSGCDONXFY-UHFFFAOYSA-N -1 3 309.278 2.147 20 5 DEBDHM Cc1ccc([O-])c(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000435919180 405027442 /nfs/dbraw/zinc/02/74/42/405027442.db2.gz WCKOUORNNKSYQL-UHFFFAOYSA-N -1 3 317.301 2.330 20 5 DEBDHM CC(C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416363748 405121316 /nfs/dbraw/zinc/12/13/16/405121316.db2.gz RHLJODYNNYZRBU-UHFFFAOYSA-N -1 3 312.269 2.300 20 5 DEBDHM C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436884113 405157110 /nfs/dbraw/zinc/15/71/10/405157110.db2.gz JPUPJCKYROILTO-NWDGAFQWSA-N -1 3 321.377 2.151 20 5 DEBDHM CCN1CCC[C@H]1CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000569931190 406323393 /nfs/dbraw/zinc/32/33/93/406323393.db2.gz WAQXQLDELXDEOI-LBPRGKRZSA-N -1 3 307.350 2.118 20 5 DEBDHM CSc1nnc(NC(=O)C=Cc2cccc([N+](=O)[O-])c2)[n-]1 ZINC000491364440 406577632 /nfs/dbraw/zinc/57/76/32/406577632.db2.gz FKDLXMUEDKBRBT-AATRIKPKSA-N -1 3 305.319 2.087 20 5 DEBDHM CSc1n[n-]c(NC(=O)C=Cc2cccc([N+](=O)[O-])c2)n1 ZINC000491364440 406577634 /nfs/dbraw/zinc/57/76/34/406577634.db2.gz FKDLXMUEDKBRBT-AATRIKPKSA-N -1 3 305.319 2.087 20 5 DEBDHM CSc1nc(NC(=O)C=Cc2cccc([N+](=O)[O-])c2)n[n-]1 ZINC000491364440 406577637 /nfs/dbraw/zinc/57/76/37/406577637.db2.gz FKDLXMUEDKBRBT-AATRIKPKSA-N -1 3 305.319 2.087 20 5 DEBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000132005122 196217623 /nfs/dbraw/zinc/21/76/23/196217623.db2.gz YOLGMQJIUSESJE-NXEZZACHSA-N -1 3 314.363 2.070 20 5 DEBDHM O=C([O-])c1cnc(NC[C@H]2CCCCN2C2CC2)c([N+](=O)[O-])c1 ZINC000516185083 269359005 /nfs/dbraw/zinc/35/90/05/269359005.db2.gz QSEMUHMGZVNVBF-GFCCVEGCSA-N -1 3 320.349 2.117 20 5 DEBDHM CCc1ccc(S(=O)(=O)[N-][C@@H](C)C(C)(F)F)cc1[N+](=O)[O-] ZINC000517027125 269375063 /nfs/dbraw/zinc/37/50/63/269375063.db2.gz MODNLEACQMFXTC-QMMMGPOBSA-N -1 3 322.333 2.479 20 5 DEBDHM O=C(COc1ccccc1[N+](=O)[O-])Nc1cccc([O-])c1F ZINC000128704938 281892367 /nfs/dbraw/zinc/89/23/67/281892367.db2.gz ZTVQHDRUXVKHOU-UHFFFAOYSA-N -1 3 306.249 2.457 20 5 DEBDHM O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)c2ccco2)c(Cl)c1 ZINC000188836040 333056204 /nfs/dbraw/zinc/05/62/04/333056204.db2.gz CYZMLGIEUFKYCQ-UHFFFAOYSA-N -1 3 316.722 2.320 20 5 DEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C1Cc2ccccc2C1 ZINC000107323347 527405653 /nfs/dbraw/zinc/40/56/53/527405653.db2.gz RKNRUSXBNLZOMF-UHFFFAOYSA-N -1 3 318.354 2.041 20 5 DEBDHM O=[N+]([O-])c1ccc(NCC2CCSCC2)c(-c2nnn[n-]2)c1 ZINC000738371853 598829394 /nfs/dbraw/zinc/82/93/94/598829394.db2.gz XYTUFPKATGILNF-UHFFFAOYSA-N -1 3 320.378 2.330 20 5 DEBDHM O=[N+]([O-])c1ccc(NCC2CCSCC2)c(-c2nn[n-]n2)c1 ZINC000738371853 598829395 /nfs/dbraw/zinc/82/93/95/598829395.db2.gz XYTUFPKATGILNF-UHFFFAOYSA-N -1 3 320.378 2.330 20 5 DEBDHM Cc1ccc2c(c1)N(c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)CC2 ZINC000737379387 598500671 /nfs/dbraw/zinc/50/06/71/598500671.db2.gz WMVAQCKJOMVTKH-UHFFFAOYSA-N -1 3 323.316 2.173 20 5 DEBDHM Cc1ccc2c(c1)N(c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)CC2 ZINC000737379387 598500673 /nfs/dbraw/zinc/50/06/73/598500673.db2.gz WMVAQCKJOMVTKH-UHFFFAOYSA-N -1 3 323.316 2.173 20 5 DEBDHM CCCC[C@@H](COC)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736436221 599442715 /nfs/dbraw/zinc/44/27/15/599442715.db2.gz BKFHORXDIDMJDU-NSHDSACASA-N -1 3 320.353 2.392 20 5 DEBDHM CCCC[C@@H](COC)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736436221 599442717 /nfs/dbraw/zinc/44/27/17/599442717.db2.gz BKFHORXDIDMJDU-NSHDSACASA-N -1 3 320.353 2.392 20 5 DEBDHM C[C@H](NC(=O)[O-])[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000825262940 604242401 /nfs/dbraw/zinc/24/24/01/604242401.db2.gz DDZUCGRUQCAREE-WCQYABFASA-N -1 3 307.350 2.463 20 5 DEBDHM C[C@H](C[C@H]1CCOC1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820231162 607115523 /nfs/dbraw/zinc/11/55/23/607115523.db2.gz BOBFYOXRWWHTCD-NXEZZACHSA-N -1 3 318.337 2.002 20 5 DEBDHM C[C@H](C[C@H]1CCOC1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820231162 607115524 /nfs/dbraw/zinc/11/55/24/607115524.db2.gz BOBFYOXRWWHTCD-NXEZZACHSA-N -1 3 318.337 2.002 20 5 DEBDHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2F)ncc1[N+](=O)[O-] ZINC000822212002 607128920 /nfs/dbraw/zinc/12/89/20/607128920.db2.gz XYZCHRIQPFMXPO-UHFFFAOYSA-N -1 3 316.252 2.410 20 5 DEBDHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2F)ncc1[N+](=O)[O-] ZINC000822212002 607128921 /nfs/dbraw/zinc/12/89/21/607128921.db2.gz XYZCHRIQPFMXPO-UHFFFAOYSA-N -1 3 316.252 2.410 20 5 DEBDHM CC[C@H](CSC)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825128475 608296904 /nfs/dbraw/zinc/29/69/04/608296904.db2.gz VKUFKUHWJGVKEP-SECBINFHSA-N -1 3 322.394 2.353 20 5 DEBDHM CC[C@H](CSC)N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825128475 608296907 /nfs/dbraw/zinc/29/69/07/608296907.db2.gz VKUFKUHWJGVKEP-SECBINFHSA-N -1 3 322.394 2.353 20 5 DEBDHM CO[C@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826145965 608415000 /nfs/dbraw/zinc/41/50/00/608415000.db2.gz OCOUSRWCYJGNDD-MFKMUULPSA-N -1 3 318.337 2.002 20 5 DEBDHM CO[C@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826145965 608415002 /nfs/dbraw/zinc/41/50/02/608415002.db2.gz OCOUSRWCYJGNDD-MFKMUULPSA-N -1 3 318.337 2.002 20 5 DEBDHM C[C@@H]1CC(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H](C)O1 ZINC000824892812 608444912 /nfs/dbraw/zinc/44/49/12/608444912.db2.gz MZBZXMZJRTZHMD-RKDXNWHRSA-N -1 3 318.337 2.143 20 5 DEBDHM C[C@@H]1CC(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H](C)O1 ZINC000824892812 608444913 /nfs/dbraw/zinc/44/49/13/608444913.db2.gz MZBZXMZJRTZHMD-RKDXNWHRSA-N -1 3 318.337 2.143 20 5 DEBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CC[C@H](C)C2)c([N+](=O)[O-])s1 ZINC000867151277 650012028 /nfs/dbraw/zinc/01/20/28/650012028.db2.gz DVWHGMOVGYQWSC-CBAPKCEASA-N -1 3 304.393 2.432 20 5 DEBDHM O=C(CCCNc1ccc([N+](=O)[O-])cc1)[N-]OC1CCOCC1 ZINC000775247651 642021448 /nfs/dbraw/zinc/02/14/48/642021448.db2.gz KFNFQICVXFRGMX-UHFFFAOYSA-N -1 3 323.349 2.014 20 5 DEBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@H]3CCC[C@H]32)c([N+](=O)[O-])s1 ZINC000907956227 644701223 /nfs/dbraw/zinc/70/12/23/644701223.db2.gz AAGGRCJJHYRSIU-OPRDCNLKSA-N -1 3 316.404 2.432 20 5 DEBDHM CC(C)(CCc1noc(-c2cc3c(cc2[O-])OCO3)n1)[N+](=O)[O-] ZINC000812814028 646701475 /nfs/dbraw/zinc/70/14/75/646701475.db2.gz UAAGIEJOYOCHDU-UHFFFAOYSA-N -1 3 321.289 2.159 20 5 DEBDHM O=[N+]([O-])c1ccc(C=Cc2cc(-c3nnn[n-]3)cs2)nc1 ZINC000823634814 648459571 /nfs/dbraw/zinc/45/95/71/648459571.db2.gz MNAFTGFWLWLVKQ-RQOWECAXSA-N -1 3 300.303 2.402 20 5 DEBDHM O=[N+]([O-])c1ccc(C=Cc2cc(-c3nn[n-]n3)cs2)nc1 ZINC000823634814 648459572 /nfs/dbraw/zinc/45/95/72/648459572.db2.gz MNAFTGFWLWLVKQ-RQOWECAXSA-N -1 3 300.303 2.402 20 5 DEBDHM O=c1[n-]ccc(NC[C@]2(O)CCCc3ccccc32)c1[N+](=O)[O-] ZINC000853303010 652535489 /nfs/dbraw/zinc/53/54/89/652535489.db2.gz INOULLLAFWOBOC-MRXNPFEDSA-N -1 3 315.329 2.331 20 5 DEBDHM O=C1[N-]C(=O)C(=CNc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000016718950 683854754 /nfs/dbraw/zinc/85/47/54/683854754.db2.gz RPMTUIJSZMQOQL-NTEUORMPSA-N -1 3 309.281 2.318 20 5 DEBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CC[C@@H]3CSC[C@@H]3C2)c1 ZINC000872164771 688942668 /nfs/dbraw/zinc/94/26/68/688942668.db2.gz VRLCOXHZHRBRQN-YPMHNXCESA-N -1 3 322.386 2.478 20 5 DEBDHM Cc1nc2c(c(=O)[n-]1)CN([C@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000931322117 694367903 /nfs/dbraw/zinc/36/79/03/694367903.db2.gz ZOAADSYVSNZXNC-SECBINFHSA-N -1 3 300.318 2.476 20 5 DEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2C=CCC2)c(Cl)c1 ZINC000882561450 691314185 /nfs/dbraw/zinc/31/41/85/691314185.db2.gz SNKJATJHDUYSKK-VIFPVBQESA-N -1 3 316.766 2.493 20 5 DEBDHM CC/C(C)=C/C(=O)N(CC)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001106747258 782911233 /nfs/dbraw/zinc/91/12/33/782911233.db2.gz YVJPAZKJGXXBOV-ZHACJKMWSA-N -1 3 322.365 2.312 20 5 DEBDHM CC1(CCC(=O)NCCCNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001094554689 792998358 /nfs/dbraw/zinc/99/83/58/792998358.db2.gz PXLFHFHIKUJQRP-UHFFFAOYSA-N -1 3 322.365 2.194 20 5 DEBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C1CCCCC1 ZINC001101478691 793175024 /nfs/dbraw/zinc/17/50/24/793175024.db2.gz BDVWEBFDNUFDBG-UHFFFAOYSA-N -1 3 322.365 2.146 20 5 DEBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CCC(C)(C)C ZINC001101722430 793341260 /nfs/dbraw/zinc/34/12/60/793341260.db2.gz BJWRDDORWMUHQS-UHFFFAOYSA-N -1 3 324.381 2.392 20 5 DEBDHM CCC(=O)c1ccc(NCCCc2c[n-][nH]c2=O)c([N+](=O)[O-])c1 ZINC001187174645 796500531 /nfs/dbraw/zinc/50/05/31/796500531.db2.gz PPMTWYVEXLOGLY-LLVKDONJSA-N -1 3 318.333 2.111 20 5 DEBDHM NC(=O)c1nc(Cl)ccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199801474 798541512 /nfs/dbraw/zinc/54/15/12/798541512.db2.gz FEAOSMWWJVLIBL-UHFFFAOYSA-N -1 3 308.681 2.191 20 5 DEBDHM COC(=O)c1ccc(N)c(N(C)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201229166 798723156 /nfs/dbraw/zinc/72/31/56/798723156.db2.gz FZLOOZBXNZPHCG-UHFFFAOYSA-N -1 3 317.301 2.437 20 5 DEBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc3c(cnn3CCO)c2)c1 ZINC001201222503 798727223 /nfs/dbraw/zinc/72/72/23/798727223.db2.gz NLMVMLUASPZKPN-UHFFFAOYSA-N -1 3 314.301 2.386 20 5 DEBDHM COc1ccc(C(N)=O)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201223675 798727303 /nfs/dbraw/zinc/72/73/03/798727303.db2.gz DWODXERSMRIDDK-UHFFFAOYSA-N -1 3 303.274 2.152 20 5 DEBDHM O=c1[nH][n-]cc1CCCNc1ccnc2c1cccc2[N+](=O)[O-] ZINC001164397046 799592515 /nfs/dbraw/zinc/59/25/15/799592515.db2.gz XQTXRYPXRMFLMR-SNVBAGLBSA-N -1 3 313.317 2.067 20 5 DEBDHM CCc1onc(C)c1CNCc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC001203819616 800126886 /nfs/dbraw/zinc/12/68/86/800126886.db2.gz HPZBGHWKGUPZJL-UHFFFAOYSA-N -1 3 321.333 2.458 20 5 DEBDHM COC(=O)c1cnc(=O)[n-]c1O[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001229872044 801330170 /nfs/dbraw/zinc/33/01/70/801330170.db2.gz FNDYJFVKEAFTPI-MRVPVSSYSA-N -1 3 319.273 2.017 20 5 DEBDHM C[C@@H]1c2cnccc2C[C@@H]1Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227692621 803267731 /nfs/dbraw/zinc/26/77/31/803267731.db2.gz AQAAMTGBNSHOHE-PELKAZGASA-N -1 3 311.301 2.368 20 5 DEBDHM Cc1nn(C)cc1[C@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227692993 803268196 /nfs/dbraw/zinc/26/81/96/803268196.db2.gz IGQKENXERALXAC-QMMMGPOBSA-N -1 3 302.294 2.048 20 5 DEBDHM Cc1[n-]c(=O)cc(O[C@H](C)C(=O)OCCC(C)C)c1[N+](=O)[O-] ZINC001228689628 803395110 /nfs/dbraw/zinc/39/51/10/803395110.db2.gz UOJGQEUEZAWRFN-SNVBAGLBSA-N -1 3 312.322 2.360 20 5 DEBDHM CCOC(=O)[C@H]1CC[C@H](Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])C1 ZINC001228688644 803395116 /nfs/dbraw/zinc/39/51/16/803395116.db2.gz LYRDZIJJIOLQKM-UWVGGRQHSA-N -1 3 310.306 2.114 20 5 DEBDHM Cc1[n-]c(=O)cc(O[C@H]2CCCC3(C2)OCCO3)c1[N+](=O)[O-] ZINC001228689068 803395630 /nfs/dbraw/zinc/39/56/30/803395630.db2.gz PKRDMSRAOVOADL-JTQLQIEISA-N -1 3 310.306 2.068 20 5 DEBDHM O=[N+]([O-])c1ccc2c(c1)C[C@@H](Oc1nnc(-c3cccnc3)[n-]1)C2 ZINC001228695616 803397406 /nfs/dbraw/zinc/39/74/06/803397406.db2.gz NRCBCWOIZRPXTA-AWEZNQCLSA-N -1 3 323.312 2.321 20 5 DEBDHM O=[N+]([O-])c1ccc2c(c1)C[C@@H](Oc1nc(-c3cccnc3)n[n-]1)C2 ZINC001228695616 803397411 /nfs/dbraw/zinc/39/74/11/803397411.db2.gz NRCBCWOIZRPXTA-AWEZNQCLSA-N -1 3 323.312 2.321 20 5 DEBDHM O=[N+]([O-])c1ccc2c(c1)C[C@@H](Oc1n[n-]c(-c3cccnc3)n1)C2 ZINC001228695616 803397413 /nfs/dbraw/zinc/39/74/13/803397413.db2.gz NRCBCWOIZRPXTA-AWEZNQCLSA-N -1 3 323.312 2.321 20 5 DEBDHM CN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1O ZINC001598507419 992523692 /nfs/dbraw/zinc/52/36/92/992523692.db2.gz PWBJDWGHURQDHA-ZIAGYGMSSA-N -1 3 308.334 2.028 20 5 DEBDHM O=c1cc(CN2Cc3ccc([N+](=O)[O-])cc3C2)nc(C2CC2)[n-]1 ZINC001328215525 1148742134 /nfs/dbraw/zinc/74/21/34/1148742134.db2.gz OHOSTFGMGRHQJE-UHFFFAOYSA-N -1 3 312.329 2.484 20 5 DEBDHM COc1ccc(CN[C@@H](CC(F)(F)F)C(=O)[O-])cc1[N+](=O)[O-] ZINC001599571322 998369494 /nfs/dbraw/zinc/36/94/94/998369494.db2.gz PKGTVPCYOVHERE-QMMMGPOBSA-N -1 3 322.239 2.099 20 5 DEBDHM CC(F)(F)CCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001603595091 1070001052 /nfs/dbraw/zinc/00/10/52/1070001052.db2.gz GHBLLQRNCSKXDD-UHFFFAOYSA-N -1 3 313.268 2.017 20 5 DEBDHM CC(F)(F)CCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001603595091 1070001069 /nfs/dbraw/zinc/00/10/69/1070001069.db2.gz GHBLLQRNCSKXDD-UHFFFAOYSA-N -1 3 313.268 2.017 20 5 DEBDHM CC[C@](C)(CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)OC ZINC001603987713 1070165195 /nfs/dbraw/zinc/16/51/95/1070165195.db2.gz WLWAAMYEWWTALY-CYBMUJFWSA-N -1 3 306.326 2.002 20 5 DEBDHM CC[C@](C)(CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)OC ZINC001603987713 1070165196 /nfs/dbraw/zinc/16/51/96/1070165196.db2.gz WLWAAMYEWWTALY-CYBMUJFWSA-N -1 3 306.326 2.002 20 5 DEBDHM COC[C@@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(C)C ZINC001605055932 1070598242 /nfs/dbraw/zinc/59/82/42/1070598242.db2.gz MBMIMHHTOKDWOM-LLVKDONJSA-N -1 3 320.353 2.105 20 5 DEBDHM COC[C@@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(C)C ZINC001605055932 1070598253 /nfs/dbraw/zinc/59/82/53/1070598253.db2.gz MBMIMHHTOKDWOM-LLVKDONJSA-N -1 3 320.353 2.105 20 5 DEBDHM Cc1cc(N2CC3(CC(F)C3)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605691819 1070845059 /nfs/dbraw/zinc/84/50/59/1070845059.db2.gz KQDVCWXERACNOY-UHFFFAOYSA-N -1 3 318.312 2.022 20 5 DEBDHM Cc1cc(N2CC3(CC(F)C3)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605691819 1070845092 /nfs/dbraw/zinc/84/50/92/1070845092.db2.gz KQDVCWXERACNOY-UHFFFAOYSA-N -1 3 318.312 2.022 20 5 DEBDHM O=[N+]([O-])c1ccc(NCCOCC2CCC2)c(-c2nnn[n-]2)c1 ZINC001607082732 1071291467 /nfs/dbraw/zinc/29/14/67/1071291467.db2.gz UJPUELWGKMVNKZ-UHFFFAOYSA-N -1 3 318.337 2.004 20 5 DEBDHM O=[N+]([O-])c1ccc(NCCOCC2CCC2)c(-c2nn[n-]n2)c1 ZINC001607082732 1071291476 /nfs/dbraw/zinc/29/14/76/1071291476.db2.gz UJPUELWGKMVNKZ-UHFFFAOYSA-N -1 3 318.337 2.004 20 5 DEBDHM O=[N+]([O-])c1cnc(NCC[C@@H]2C[C@H]2C2CC2)c(-c2nnn[n-]2)c1 ZINC001607086963 1071293960 /nfs/dbraw/zinc/29/39/60/1071293960.db2.gz WAGLBUGMCXCVAY-KOLCDFICSA-N -1 3 315.337 2.018 20 5 DEBDHM O=[N+]([O-])c1cnc(NCC[C@@H]2C[C@H]2C2CC2)c(-c2nn[n-]n2)c1 ZINC001607086963 1071293976 /nfs/dbraw/zinc/29/39/76/1071293976.db2.gz WAGLBUGMCXCVAY-KOLCDFICSA-N -1 3 315.337 2.018 20 5 DEBDHM CC(C)OC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2)[n-]n1 ZINC001456336886 1057846448 /nfs/dbraw/zinc/84/64/48/1057846448.db2.gz SCMHGEGZSKSMIM-UHFFFAOYSA-N -1 3 318.289 2.135 20 5 DEBDHM CC(C)OC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2)n[n-]1 ZINC001456336886 1057846453 /nfs/dbraw/zinc/84/64/53/1057846453.db2.gz SCMHGEGZSKSMIM-UHFFFAOYSA-N -1 3 318.289 2.135 20 5 DEBDHM C[C@@H]1[C@H](C)OC[C@]12CC[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])O2 ZINC001643199985 1078790171 /nfs/dbraw/zinc/79/01/71/1078790171.db2.gz QZTULMKWPGFVPJ-JNIYBQFBSA-N -1 3 323.349 2.080 20 5 DEBDHM Cc1ccnc(N2Cc3nc(C4CC4)[n-]c(=O)c3C2)c1[N+](=O)[O-] ZINC001559270724 1075117780 /nfs/dbraw/zinc/11/77/80/1075117780.db2.gz BQZCHOYOQOPEGD-UHFFFAOYSA-N -1 3 313.317 2.191 20 5 DEBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC001589981845 1076541957 /nfs/dbraw/zinc/54/19/57/1076541957.db2.gz KHNNIGYOQOSWJK-VHSXEESVSA-N 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1076679319 /nfs/dbraw/zinc/67/93/19/1076679319.db2.gz KRZVNNORTNIQGS-UHFFFAOYSA-N -1 3 320.353 2.250 20 5 DEBDHM CCOCC(C)(C)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590799643 1076679323 /nfs/dbraw/zinc/67/93/23/1076679323.db2.gz KRZVNNORTNIQGS-UHFFFAOYSA-N -1 3 320.353 2.250 20 5 DEBDHM COC(C)(C)[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591315526 1076719961 /nfs/dbraw/zinc/71/99/61/1076719961.db2.gz AZZNSYYVYIZXOS-MRVPVSSYSA-N -1 3 306.326 2.000 20 5 DEBDHM COC(C)(C)[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591315526 1076719963 /nfs/dbraw/zinc/71/99/63/1076719963.db2.gz AZZNSYYVYIZXOS-MRVPVSSYSA-N -1 3 306.326 2.000 20 5 DEBDHM COc1cc(C=Cc2ccncc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591523461 1076753327 /nfs/dbraw/zinc/75/33/27/1076753327.db2.gz VQPYCLTZIFBEPE-DUXPYHPUSA-N -1 3 324.300 2.349 20 5 DEBDHM COc1cc(C=Cc2ccncc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591523461 1076753328 /nfs/dbraw/zinc/75/33/28/1076753328.db2.gz VQPYCLTZIFBEPE-DUXPYHPUSA-N -1 3 324.300 2.349 20 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DEBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3C[C@@H]32)cc1[N+](=O)[O-] ZINC000416554355 405176689 /nfs/dbraw/zinc/17/66/89/405176689.db2.gz DDBGYVFGKQNOJW-KXUCPTDWSA-N -1 3 316.404 2.432 20 5 DEBDHM C[C@H]1C[C@@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CN1C1CC1 ZINC000580434703 405613832 /nfs/dbraw/zinc/61/38/32/405613832.db2.gz SFHPKEIRAZQZDX-GXSJLCMTSA-N -1 3 305.334 2.330 20 5 DEBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000449472673 405575952 /nfs/dbraw/zinc/57/59/52/405575952.db2.gz QFQGQFLSCHXHAI-NUEKZKHPSA-N -1 3 306.362 2.426 20 5 DEBDHM CC[C@@H](C)[C@H](N)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000423750224 405944151 /nfs/dbraw/zinc/94/41/51/405944151.db2.gz XGVVTBJTMNTDSO-LDWIPMOCSA-N -1 3 301.730 2.266 20 5 DEBDHM O=C([O-])CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000572609114 406702823 /nfs/dbraw/zinc/70/28/23/406702823.db2.gz BIWUYIKTKOWMNM-CQSZACIVSA-N -1 3 308.334 2.051 20 5 DEBDHM CO[C@H]1CCCC[C@@H]1[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1 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310.306 2.114 20 5 DEBDHM Cc1[n-]c(=O)cc(O[C@@H]2CCCC3(C2)OCCO3)c1[N+](=O)[O-] ZINC001228689069 803395686 /nfs/dbraw/zinc/39/56/86/803395686.db2.gz PKRDMSRAOVOADL-SNVBAGLBSA-N -1 3 310.306 2.068 20 5 DEBDHM C[C@@H]1CCC[C@H](CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001576156888 949462955 /nfs/dbraw/zinc/46/29/55/949462955.db2.gz XLOOQJGUFCPRFD-ZJUUUORDSA-N -1 3 317.353 2.408 20 5 DEBDHM C[C@@H]1CCC[C@H](CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001576156888 949462962 /nfs/dbraw/zinc/46/29/62/949462962.db2.gz XLOOQJGUFCPRFD-ZJUUUORDSA-N -1 3 317.353 2.408 20 5 DEBDHM C[C@@H]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001576156989 949468550 /nfs/dbraw/zinc/46/85/50/949468550.db2.gz OOAKUCBMQLQMAF-RKDXNWHRSA-N -1 3 317.353 2.205 20 5 DEBDHM C[C@@H]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001576156989 949468564 /nfs/dbraw/zinc/46/85/64/949468564.db2.gz OOAKUCBMQLQMAF-RKDXNWHRSA-N -1 3 317.353 2.205 20 5 DEBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC001329674856 961296947 /nfs/dbraw/zinc/29/69/47/961296947.db2.gz CDPYIEYMSXDTGX-DOMZBBRYSA-N -1 3 320.345 2.294 20 5 DEBDHM CCN(CCC(=O)[O-])Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC001596316090 983748642 /nfs/dbraw/zinc/74/86/42/983748642.db2.gz RLIMYYPHFWLOSB-UHFFFAOYSA-N -1 3 306.322 2.007 20 5 DEBDHM C[C@H](Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])c1ccccn1 ZINC001603679179 1070038821 /nfs/dbraw/zinc/03/88/21/1070038821.db2.gz QBECEDXSHRCMTO-VIFPVBQESA-N -1 3 311.305 2.343 20 5 DEBDHM C[C@H](Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])c1ccccn1 ZINC001603679179 1070038832 /nfs/dbraw/zinc/03/88/32/1070038832.db2.gz QBECEDXSHRCMTO-VIFPVBQESA-N -1 3 311.305 2.343 20 5 DEBDHM CC[C@@H]1[C@H](C)CCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604096325 1070212482 /nfs/dbraw/zinc/21/24/82/1070212482.db2.gz HBFSLDRBTDKKBA-MWLCHTKSSA-N -1 3 302.338 2.400 20 5 DEBDHM CC[C@@H]1[C@H](C)CCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604096325 1070212497 /nfs/dbraw/zinc/21/24/97/1070212497.db2.gz HBFSLDRBTDKKBA-MWLCHTKSSA-N -1 3 302.338 2.400 20 5 DEBDHM CC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H]1C ZINC001604105509 1070222341 /nfs/dbraw/zinc/22/23/41/1070222341.db2.gz JCRSEWWNZPBDNB-VHSXEESVSA-N -1 3 302.338 2.400 20 5 DEBDHM CC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@H]1C ZINC001604105509 1070222355 /nfs/dbraw/zinc/22/23/55/1070222355.db2.gz JCRSEWWNZPBDNB-VHSXEESVSA-N -1 3 302.338 2.400 20 5 DEBDHM CCN1C[C@H](C)N(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H]1C ZINC001605468987 1070723869 /nfs/dbraw/zinc/72/38/69/1070723869.db2.gz BOYLXUAUMYZOMK-RYUDHWBXSA-N -1 3 321.377 2.208 20 5 DEBDHM Cc1coc(SCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC001605996411 1071002700 /nfs/dbraw/zinc/00/27/00/1071002700.db2.gz UPAASTLJAUBJSK-UHFFFAOYSA-N -1 3 318.318 2.364 20 5 DEBDHM Cc1coc(SCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC001605996411 1071002720 /nfs/dbraw/zinc/00/27/20/1071002720.db2.gz UPAASTLJAUBJSK-UHFFFAOYSA-N -1 3 318.318 2.364 20 5 DEBDHM O=[N+]([O-])c1ccccc1N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001607084967 1071292410 /nfs/dbraw/zinc/29/24/10/1071292410.db2.gz GCIDEKSRTXIRGB-UHFFFAOYSA-N -1 3 308.301 2.295 20 5 DEBDHM O=[N+]([O-])c1ccccc1N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001607084967 1071292413 /nfs/dbraw/zinc/29/24/13/1071292413.db2.gz GCIDEKSRTXIRGB-UHFFFAOYSA-N -1 3 308.301 2.295 20 5 DEBDHM O=[N+]([O-])c1ccccc1Oc1ncc(-c2nnn[n-]2)cc1F ZINC001607085363 1071293324 /nfs/dbraw/zinc/29/33/24/1071293324.db2.gz QPWKHEFBIPACOS-UHFFFAOYSA-N -1 3 302.225 2.101 20 5 DEBDHM O=[N+]([O-])c1ccccc1Oc1ncc(-c2nn[n-]n2)cc1F ZINC001607085363 1071293329 /nfs/dbraw/zinc/29/33/29/1071293329.db2.gz QPWKHEFBIPACOS-UHFFFAOYSA-N -1 3 302.225 2.101 20 5 DEBDHM Nc1ccc([N-]C(=O)c2ocnc2C(F)(F)F)cc1[N+](=O)[O-] ZINC001450773878 1056497568 /nfs/dbraw/zinc/49/75/68/1056497568.db2.gz YDZDCMFCCWQBBW-UHFFFAOYSA-N -1 3 316.195 2.436 20 5 DEBDHM O=C([N-]c1cc(Cl)cc2c[nH]nc21)c1n[nH]cc1[N+](=O)[O-] ZINC001472315300 1060471538 /nfs/dbraw/zinc/47/15/38/1060471538.db2.gz VUWIVPGESOAYEN-UHFFFAOYSA-N -1 3 306.669 2.100 20 5 DEBDHM C[C@@H]1Cc2cc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)ccc2O1 ZINC001611674923 1078105087 /nfs/dbraw/zinc/10/50/87/1078105087.db2.gz YTHXWZMYTXTRCK-MRVPVSSYSA-N -1 3 315.285 2.271 20 5 DEBDHM COC(=O)C[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])C(C)(C)C ZINC001620613786 1078165780 /nfs/dbraw/zinc/16/57/80/1078165780.db2.gz QDAHVMOOYMSAFO-ZDUSSCGKSA-N -1 3 310.350 2.368 20 5 DEBDHM O=C(c1cc(=O)[n-]cn1)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001629866674 1078328007 /nfs/dbraw/zinc/32/80/07/1078328007.db2.gz JRQKMQSJDPJPMR-UHFFFAOYSA-N -1 3 314.301 2.074 20 5 DEBDHM O=c1[n-]ccc(NC[C@@H](O)c2ccccc2Cl)c1[N+](=O)[O-] ZINC001642289612 1078749094 /nfs/dbraw/zinc/74/90/94/1078749094.db2.gz WYDBFEBCGLATNA-LLVKDONJSA-N -1 3 309.709 2.494 20 5 DEBDHM C[C@@H](Nc1ncc([N+](=O)[O-])s1)c1nc(C(F)(F)F)n[n-]1 ZINC001643234384 1078792120 /nfs/dbraw/zinc/79/21/20/1078792120.db2.gz DSVHVAMBUWNZOD-GSVOUGTGSA-N -1 3 308.245 2.361 20 5 DEBDHM C[C@H](Nc1ccc([N+](=O)[O-])cn1)c1nc(C(F)(F)F)n[n-]1 ZINC001559288966 1075119101 /nfs/dbraw/zinc/11/91/01/1075119101.db2.gz AUVRUUPSKOAPQJ-YFKPBYRVSA-N -1 3 302.216 2.300 20 5 DEBDHM CC(C)(C)OCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589197646 1076479080 /nfs/dbraw/zinc/47/90/80/1076479080.db2.gz PTJLMNYHMMAVMI-UHFFFAOYSA-N -1 3 306.326 2.002 20 5 DEBDHM CC(C)(C)OCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589197646 1076479084 /nfs/dbraw/zinc/47/90/84/1076479084.db2.gz PTJLMNYHMMAVMI-UHFFFAOYSA-N -1 3 306.326 2.002 20 5 DEBDHM CN(Cc1ccsc1)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591149885 1076715005 /nfs/dbraw/zinc/71/50/05/1076715005.db2.gz FGOFXGAUVOQXCG-UHFFFAOYSA-N -1 3 316.346 2.473 20 5 DEBDHM CN(Cc1ccsc1)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591149885 1076715006 /nfs/dbraw/zinc/71/50/06/1076715006.db2.gz FGOFXGAUVOQXCG-UHFFFAOYSA-N -1 3 316.346 2.473 20 5 DEBDHM CSC1(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001591691159 1076772936 /nfs/dbraw/zinc/77/29/36/1076772936.db2.gz AWQNRXGAZLJAJY-UHFFFAOYSA-N -1 3 306.351 2.082 20 5 DEBDHM CSC1(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001591691159 1076772938 /nfs/dbraw/zinc/77/29/38/1076772938.db2.gz AWQNRXGAZLJAJY-UHFFFAOYSA-N -1 3 306.351 2.082 20 5 DEBDHM Cc1cc(N2CCC[C@H](CF)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592005276 1076828957 /nfs/dbraw/zinc/82/89/57/1076828957.db2.gz MFAPOROTMXBVMD-SNVBAGLBSA-N -1 3 320.328 2.269 20 5 DEBDHM Cc1cc(N2CCC[C@H](CF)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592005276 1076828961 /nfs/dbraw/zinc/82/89/61/1076828961.db2.gz MFAPOROTMXBVMD-SNVBAGLBSA-N -1 3 320.328 2.269 20 5 DEBDHM Cc1ccc(Oc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])cn1 ZINC001592191551 1076872929 /nfs/dbraw/zinc/87/29/29/1076872929.db2.gz VDPRXXBJJHPNNW-UHFFFAOYSA-N -1 3 316.252 2.410 20 5 DEBDHM Cc1ccc(Oc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])cn1 ZINC001592191551 1076872933 /nfs/dbraw/zinc/87/29/33/1076872933.db2.gz VDPRXXBJJHPNNW-UHFFFAOYSA-N -1 3 316.252 2.410 20 5 DEBDHM Cc1cccc(Oc2ncc(-c3nnn[n-]3)cc2F)c1[N+](=O)[O-] ZINC001592238974 1076880023 /nfs/dbraw/zinc/88/00/23/1076880023.db2.gz XEGSUSGWSDWLGZ-UHFFFAOYSA-N -1 3 316.252 2.410 20 5 DEBDHM Cc1cccc(Oc2ncc(-c3nn[n-]n3)cc2F)c1[N+](=O)[O-] ZINC001592238974 1076880028 /nfs/dbraw/zinc/88/00/28/1076880028.db2.gz XEGSUSGWSDWLGZ-UHFFFAOYSA-N -1 3 316.252 2.410 20 5 DEBDHM O=[N+]([O-])c1cc(C=Cc2ccncc2-c2nnn[n-]2)cs1 ZINC001593473221 1077006549 /nfs/dbraw/zinc/00/65/49/1077006549.db2.gz QRMYIFWUYRQTOA-UPHRSURJSA-N -1 3 300.303 2.402 20 5 DEBDHM O=[N+]([O-])c1cc(C=Cc2ccncc2-c2nn[n-]n2)cs1 ZINC001593473221 1077006553 /nfs/dbraw/zinc/00/65/53/1077006553.db2.gz QRMYIFWUYRQTOA-UPHRSURJSA-N -1 3 300.303 2.402 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1SCc1ccncc1 ZINC001593471738 1077006840 /nfs/dbraw/zinc/00/68/40/1077006840.db2.gz XOUTWUPUENYJDL-UHFFFAOYSA-N -1 3 314.330 2.462 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1SCc1ccncc1 ZINC001593471738 1077006847 /nfs/dbraw/zinc/00/68/47/1077006847.db2.gz XOUTWUPUENYJDL-UHFFFAOYSA-N -1 3 314.330 2.462 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@@H]1CCc2ccccc21 ZINC001593471437 1077007478 /nfs/dbraw/zinc/00/74/78/1077007478.db2.gz QZMOEWMXKMPEQF-GFCCVEGCSA-N -1 3 323.316 2.269 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@@H]1CCc2ccccc21 ZINC001593471437 1077007484 /nfs/dbraw/zinc/00/74/84/1077007484.db2.gz QZMOEWMXKMPEQF-GFCCVEGCSA-N -1 3 323.316 2.269 20 5 DEBDHM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC001601757651 1077449027 /nfs/dbraw/zinc/44/90/27/1077449027.db2.gz XJCIVYMLXKDGFG-BFVZDQMLSA-N -1 3 308.309 2.419 20 5 DEBDHM C[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)[C@@H]1C ZINC001609166918 1077781548 /nfs/dbraw/zinc/78/15/48/1077781548.db2.gz KAWBCHZMJUETMD-NXEZZACHSA-N -1 3 302.338 2.400 20 5 DEBDHM CC[C@@H]1[C@H](C)CCN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609198550 1077795211 /nfs/dbraw/zinc/79/52/11/1077795211.db2.gz DDCZKAJMZQSUBI-BXKDBHETSA-N -1 3 302.338 2.400 20 5 DEBDHM CSC1(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCC1 ZINC001609369449 1077843030 /nfs/dbraw/zinc/84/30/30/1077843030.db2.gz AXKXPEIKCPGPSK-UHFFFAOYSA-N -1 3 320.378 2.473 20 5 DEBDHM CSC1(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCC1 ZINC001609369449 1077843032 /nfs/dbraw/zinc/84/30/32/1077843032.db2.gz AXKXPEIKCPGPSK-UHFFFAOYSA-N -1 3 320.378 2.473 20 5 DEBDHM Cc1csc(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001609442310 1077860849 /nfs/dbraw/zinc/86/08/49/1077860849.db2.gz BZMYUTBZVURVNC-UHFFFAOYSA-N -1 3 317.334 2.152 20 5 DEBDHM Cc1csc(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001609442310 1077860853 /nfs/dbraw/zinc/86/08/53/1077860853.db2.gz BZMYUTBZVURVNC-UHFFFAOYSA-N -1 3 317.334 2.152 20 5 DEBDHM O=C(Nc1cccc([N+](=O)[O-])c1)c1cscc1-c1nnn[n-]1 ZINC001609567595 1077876340 /nfs/dbraw/zinc/87/63/40/1077876340.db2.gz YJVFKJYPSRUPJE-UHFFFAOYSA-N -1 3 316.302 2.089 20 5 DEBDHM O=C(Nc1cccc([N+](=O)[O-])c1)c1cscc1-c1nn[n-]n1 ZINC001609567595 1077876342 /nfs/dbraw/zinc/87/63/42/1077876342.db2.gz YJVFKJYPSRUPJE-UHFFFAOYSA-N -1 3 316.302 2.089 20 5 DEBDHM O=C1CCN1c1cccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001651027174 1079785425 /nfs/dbraw/zinc/78/54/25/1079785425.db2.gz HJNJYDOJBXVTHG-UHFFFAOYSA-N -1 3 300.274 2.176 20 5 DEBDHM O=c1cc([C@@H]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])C2)[n-][nH]1 ZINC001651203159 1079794557 /nfs/dbraw/zinc/79/45/57/1079794557.db2.gz XVCMTWULBLTFGK-SSDOTTSWSA-N -1 3 309.713 2.066 20 5 DEBDHM COc1cncc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])c1 ZINC001663020879 1080687033 /nfs/dbraw/zinc/68/70/33/1080687033.db2.gz HMTOHYFMOWNVNJ-UHFFFAOYSA-N -1 3 305.290 2.325 20 5 DEBDHM Nc1ccc([N-]C(=O)c2ncoc2C(F)(F)F)cc1[N+](=O)[O-] ZINC001298876475 1140092896 /nfs/dbraw/zinc/09/28/96/1140092896.db2.gz XTRHCCZFWSAAON-UHFFFAOYSA-N -1 3 316.195 2.436 20 5 DEBDHM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC001292104339 1146850192 /nfs/dbraw/zinc/85/01/92/1146850192.db2.gz NZIHHUZIXAHOEH-UHFFFAOYSA-N -1 3 309.228 2.250 20 5 DEBDHM Cc1c2cc[nH]c2ncc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001303976071 1147340851 /nfs/dbraw/zinc/34/08/51/1147340851.db2.gz JMNPDGNVKCVFKY-UHFFFAOYSA-N -1 3 313.273 2.084 20 5 DEBDHM COC(=O)c1ccccc1CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001307218487 1147407623 /nfs/dbraw/zinc/40/76/23/1147407623.db2.gz JQEJHONTWRMSIF-UHFFFAOYSA-N -1 3 317.301 2.137 20 5 DEBDHM Cc1ncoc1C(=O)[N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000356755398 282228761 /nfs/dbraw/zinc/22/87/61/282228761.db2.gz FWZLQFWZCIDWQV-UHFFFAOYSA-N -1 3 319.273 2.305 20 5 DEBDHM CCc1[nH]nc(C(=O)Nc2cc(CC)ccc2[O-])c1[N+](=O)[O-] ZINC000174091615 198290045 /nfs/dbraw/zinc/29/00/45/198290045.db2.gz XUWHTXROWUJOSM-UHFFFAOYSA-N -1 3 304.306 2.401 20 5 DEBDHM Cc1ccc([O-])c(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000009890425 354014872 /nfs/dbraw/zinc/01/48/72/354014872.db2.gz XFRCGLCHFQCJFN-UHFFFAOYSA-N -1 3 315.329 2.451 20 5 DEBDHM CCC[C@@H](C)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000073435308 354959115 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O=[N+]([O-])c1ccccc1CSc1cc(-c2nnn[n-]2)ccn1 ZINC001609603639 1077881998 /nfs/dbraw/zinc/88/19/98/1077881998.db2.gz UCSNOYXBNKJAOE-UHFFFAOYSA-N -1 3 314.330 2.462 20 5 DEBDHM O=[N+]([O-])c1ccccc1CSc1cc(-c2nn[n-]n2)ccn1 ZINC001609603639 1077882000 /nfs/dbraw/zinc/88/20/00/1077882000.db2.gz UCSNOYXBNKJAOE-UHFFFAOYSA-N -1 3 314.330 2.462 20 5 DEBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001610515095 1078033056 /nfs/dbraw/zinc/03/30/56/1078033056.db2.gz OXHKOYZONMFJNG-IAQYHMDHSA-N -1 3 322.361 2.122 20 5 DEBDHM O=c1[n-]cnc(O[C@H](C[N+](=O)[O-])C2CC2)c1-c1ccccc1 ZINC001234690197 1084197895 /nfs/dbraw/zinc/19/78/95/1084197895.db2.gz ACOQBFKMCFKNHE-GFCCVEGCSA-N -1 3 301.302 2.283 20 5 DEBDHM C[C@@H](Nc1ncccc1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001307219460 1139829433 /nfs/dbraw/zinc/82/94/33/1139829433.db2.gz NLXQBUVMODMEMH-RXMQYKEDSA-N -1 3 302.216 2.300 20 5 DEBDHM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc(C)n1 ZINC001323947050 1141911017 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MFVAIBXUFQZNBL-UHFFFAOYSA-N -1 3 304.241 2.119 20 5 DEBDHM O=[N+]([O-])c1cc(NCC[C@H]2CCCOC2)ccc1-c1nnn[n-]1 ZINC001593474572 1077007959 /nfs/dbraw/zinc/00/79/59/1077007959.db2.gz TZYDLJSDZVCZQY-SNVBAGLBSA-N -1 3 318.337 2.004 20 5 DEBDHM O=[N+]([O-])c1ccc(C=Cc2cccc(F)c2-c2nnn[n-]2)nc1 ZINC001593475068 1077008505 /nfs/dbraw/zinc/00/85/05/1077008505.db2.gz GSZAIVLXQFUFPR-PLNGDYQASA-N -1 3 312.264 2.479 20 5 DEBDHM O=[N+]([O-])c1ccc(C=Cc2cccc(F)c2-c2nn[n-]n2)nc1 ZINC001593475068 1077008509 /nfs/dbraw/zinc/00/85/09/1077008509.db2.gz GSZAIVLXQFUFPR-PLNGDYQASA-N -1 3 312.264 2.479 20 5 DEBDHM O=[N+]([O-])c1ccc(NCC[C@H]2CCCS2)c(-c2nnn[n-]2)c1 ZINC001593477980 1077009017 /nfs/dbraw/zinc/00/90/17/1077009017.db2.gz NAZFEBBQQPZVCJ-SNVBAGLBSA-N -1 3 320.378 2.473 20 5 DEBDHM O=[N+]([O-])c1ccc(NCC[C@H]2CCCS2)c(-c2nn[n-]n2)c1 ZINC001593477980 1077009023 /nfs/dbraw/zinc/00/90/23/1077009023.db2.gz NAZFEBBQQPZVCJ-SNVBAGLBSA-N -1 3 320.378 2.473 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@H]1CCCSC1 ZINC001593482367 1077009402 /nfs/dbraw/zinc/00/94/02/1077009402.db2.gz ZBHHIMDBAOTRJP-QMMMGPOBSA-N -1 3 306.351 2.082 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@H]1CCCSC1 ZINC001593482367 1077009410 /nfs/dbraw/zinc/00/94/10/1077009410.db2.gz ZBHHIMDBAOTRJP-QMMMGPOBSA-N -1 3 306.351 2.082 20 5 DEBDHM O=[N+]([O-])c1ccc(N[C@H]2C[C@@H]3[C@H](C2)C3(F)F)c(-c2nnn[n-]2)c1 ZINC001593478238 1077009535 /nfs/dbraw/zinc/00/95/35/1077009535.db2.gz RSJCMAQBVKEEDZ-DSIYZXSISA-N -1 3 322.275 2.231 20 5 DEBDHM O=[N+]([O-])c1ccc(N[C@H]2C[C@@H]3[C@H](C2)C3(F)F)c(-c2nn[n-]n2)c1 ZINC001593478238 1077009541 /nfs/dbraw/zinc/00/95/41/1077009541.db2.gz RSJCMAQBVKEEDZ-DSIYZXSISA-N -1 3 322.275 2.231 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1C[C@@H]2CCCC[C@@H]21 ZINC001593480052 1077009913 /nfs/dbraw/zinc/00/99/13/1077009913.db2.gz DHJRSPORUHEJGQ-ONGXEEELSA-N -1 3 300.322 2.154 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1C[C@@H]2CCCC[C@@H]21 ZINC001593480052 1077009917 /nfs/dbraw/zinc/00/99/17/1077009917.db2.gz DHJRSPORUHEJGQ-ONGXEEELSA-N -1 3 300.322 2.154 20 5 DEBDHM CCC[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)OC ZINC001609205668 1077798761 /nfs/dbraw/zinc/79/87/61/1077798761.db2.gz UIZQEHCXVCDNOY-SNVBAGLBSA-N -1 3 306.326 2.002 20 5 DEBDHM CCC[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)OC ZINC001609205668 1077798763 /nfs/dbraw/zinc/79/87/63/1077798763.db2.gz UIZQEHCXVCDNOY-SNVBAGLBSA-N -1 3 306.326 2.002 20 5 DEBDHM CSCCCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001609370968 1077843584 /nfs/dbraw/zinc/84/35/84/1077843584.db2.gz JNBOIBKAFMYPSA-UHFFFAOYSA-N -1 3 308.367 2.330 20 5 DEBDHM CSCCCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609370968 1077843587 /nfs/dbraw/zinc/84/35/87/1077843587.db2.gz JNBOIBKAFMYPSA-UHFFFAOYSA-N -1 3 308.367 2.330 20 5 DEBDHM Cc1cc(N2CC[C@H](C)[C@@H](F)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609404982 1077852106 /nfs/dbraw/zinc/85/21/06/1077852106.db2.gz ROICJIYEKDUFQI-KWQFWETISA-N -1 3 320.328 2.268 20 5 DEBDHM Cc1cc(N2CC[C@H](C)[C@@H](F)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609404982 1077852107 /nfs/dbraw/zinc/85/21/07/1077852107.db2.gz ROICJIYEKDUFQI-KWQFWETISA-N -1 3 320.328 2.268 20 5 DEBDHM Cc1cc(NC[C@@H]2CCCCO2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609409663 1077853841 /nfs/dbraw/zinc/85/38/41/1077853841.db2.gz SHFJSJDYZIPKMP-JTQLQIEISA-N -1 3 318.337 2.064 20 5 DEBDHM Cc1cc(NC[C@@H]2CCCCO2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609409663 1077853843 /nfs/dbraw/zinc/85/38/43/1077853843.db2.gz SHFJSJDYZIPKMP-JTQLQIEISA-N -1 3 318.337 2.064 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1S[C@@H]1CCCOC1 ZINC001609602808 1077882489 /nfs/dbraw/zinc/88/24/89/1077882489.db2.gz IWYSIYIGOJNHPZ-MRVPVSSYSA-N -1 3 307.335 2.046 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1S[C@@H]1CCCOC1 ZINC001609602808 1077882492 /nfs/dbraw/zinc/88/24/92/1077882492.db2.gz IWYSIYIGOJNHPZ-MRVPVSSYSA-N -1 3 307.335 2.046 20 5 DEBDHM Cc1ccncc1C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC001662094423 1080568440 /nfs/dbraw/zinc/56/84/40/1080568440.db2.gz GUMSNMLEANXEAT-UHFFFAOYSA-N -1 3 321.358 2.085 20 5 DEBDHM COc1cccc(NCc2ccc([O-])c(OC)c2[N+](=O)[O-])n1 ZINC001665218223 1081001255 /nfs/dbraw/zinc/00/12/55/1081001255.db2.gz SAYBPHKVRHJKBV-UHFFFAOYSA-N -1 3 305.290 2.325 20 5 DEBDHM CSc1nc(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)n[n-]1 ZINC001626105278 1086384340 /nfs/dbraw/zinc/38/43/40/1086384340.db2.gz AMJMAIBHVBDSCW-VHSXEESVSA-N -1 3 319.346 2.177 20 5 DEBDHM Cc1nc[n-]c(=O)c1CCC(=O)OCc1csc([N+](=O)[O-])c1 ZINC001319584468 1140620479 /nfs/dbraw/zinc/62/04/79/1140620479.db2.gz ZHTJZNBSNPXBFS-UHFFFAOYSA-N -1 3 323.330 2.136 20 5 DEBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1)c1nc(-c2cccnc2)no1 ZINC001248001058 1141668024 /nfs/dbraw/zinc/66/80/24/1141668024.db2.gz YBHRTPKZPLPLIG-UHFFFAOYSA-N -1 3 311.257 2.292 20 5 DEBDHM O=c1[n-]ccc(N2Cc3ccc([N+](=O)[O-])cc3C2)c1[N+](=O)[O-] ZINC001306984579 1147395887 /nfs/dbraw/zinc/39/58/87/1147395887.db2.gz QFZLFJBQZPVKHA-UHFFFAOYSA-N -1 3 302.246 2.124 20 5 DEBDHM CCC[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000042985578 354210122 /nfs/dbraw/zinc/21/01/22/354210122.db2.gz ZAZWCRXYTJGBCD-VIFPVBQESA-N -1 3 302.352 2.070 20 5 DEBDHM O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc([O-])cc1 ZINC000053639094 354440790 /nfs/dbraw/zinc/44/07/90/354440790.db2.gz BMEBCFXXUXNVJX-UHFFFAOYSA-N -1 3 301.302 2.142 20 5 DEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccccn2)cc1C ZINC000060496195 354616321 /nfs/dbraw/zinc/61/63/21/354616321.db2.gz HTJVZCFDGUGWCN-UHFFFAOYSA-N -1 3 321.358 2.085 20 5 DEBDHM Cc1nc([N+](=O)[O-])cn1CCc1nc(-c2ccc([O-])cc2)no1 ZINC000350589166 356546313 /nfs/dbraw/zinc/54/63/13/356546313.db2.gz UZUIUWXEZZOINL-UHFFFAOYSA-N -1 3 315.289 2.098 20 5 DEBDHM Cc1nc([N+](=O)[O-])c(-c2noc(-c3cc(C)ccc3[O-])n2)n1C ZINC000350926682 356588453 /nfs/dbraw/zinc/58/84/53/356588453.db2.gz NGGVPPZGFHIPIM-UHFFFAOYSA-N -1 3 315.289 2.368 20 5 DEBDHM O=C([O-])c1ccnc(NC2CCN(C3CCC3)CC2)c1[N+](=O)[O-] ZINC000581194226 357146551 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DEBDHM COc1cc(CNCC2([C@H](O)C(C)C)CC2)c([N+](=O)[O-])cc1[O-] ZINC000271916717 209320590 /nfs/dbraw/zinc/32/05/90/209320590.db2.gz BEHFEERNTUIEEE-OAHLLOKOSA-N -1 3 324.377 2.196 20 5 DEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCC(F)(F)C1 ZINC000610785318 361467019 /nfs/dbraw/zinc/46/70/19/361467019.db2.gz HOTFKKRQUDUMMG-MRVPVSSYSA-N -1 3 306.290 2.061 20 5 DEBDHM COC(=O)c1csc([N-]C(=O)c2n[nH]c(C)c2[N+](=O)[O-])c1C ZINC000611461650 361603059 /nfs/dbraw/zinc/60/30/59/361603059.db2.gz WTLHLKCSEQLXFS-UHFFFAOYSA-N -1 3 324.318 2.035 20 5 DEBDHM O=C([N-]O[C@@H]1CCCCO1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000267410856 206046414 /nfs/dbraw/zinc/04/64/14/206046414.db2.gz ZPZWKIYEOWKWLH-SNVBAGLBSA-N -1 3 300.698 2.436 20 5 DEBDHM O=C([N-]c1nc(-c2cccnc2)cs1)c1n[nH]cc1[N+](=O)[O-] ZINC000159363996 291653251 /nfs/dbraw/zinc/65/32/51/291653251.db2.gz JBKRNRPMMJEGBE-UHFFFAOYSA-N -1 3 316.302 2.089 20 5 DEBDHM CCCCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])n[nH]2)s1 ZINC000285049961 218271156 /nfs/dbraw/zinc/27/11/56/218271156.db2.gz HLLXWNKSLUCVQE-UHFFFAOYSA-N -1 3 310.339 2.154 20 5 DEBDHM CCc1c([N-]C(=O)c2c[nH]nc2[N+](=O)[O-])onc1C(F)(F)F ZINC000557778658 291877638 /nfs/dbraw/zinc/87/76/38/291877638.db2.gz AITNXDMNPCOJFK-UHFFFAOYSA-N -1 3 319.199 2.139 20 5 DEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000358275560 147104623 /nfs/dbraw/zinc/10/46/23/147104623.db2.gz HAEZHICNLODVJN-UHFFFAOYSA-N -1 3 324.300 2.336 20 5 DEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000358275560 147104627 /nfs/dbraw/zinc/10/46/27/147104627.db2.gz HAEZHICNLODVJN-UHFFFAOYSA-N -1 3 324.300 2.336 20 5 DEBDHM CCN1CCc2nc([N-]C(=O)c3ccc([N+](=O)[O-])o3)sc2C1 ZINC000042136975 401931774 /nfs/dbraw/zinc/93/17/74/401931774.db2.gz BKEDRYFKUMDSAC-UHFFFAOYSA-N -1 3 322.346 2.275 20 5 DEBDHM Cc1ccc(S(=O)(=O)[N-]C(C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000101570102 402149556 /nfs/dbraw/zinc/14/95/56/402149556.db2.gz QCIBKIKXAKWBII-UHFFFAOYSA-N -1 3 310.375 2.370 20 5 DEBDHM COc1cc(C(=O)[N-]OC/C=C/Cl)c([N+](=O)[O-])cc1OC ZINC000291719429 404492108 /nfs/dbraw/zinc/49/21/08/404492108.db2.gz DSMRWFNMIGYSTF-ONEGZZNKSA-N -1 3 316.697 2.026 20 5 DEBDHM CCc1[nH]nc(C(=O)[N-]c2nc3c(s2)CCCC3)c1[N+](=O)[O-] ZINC000171750063 402618178 /nfs/dbraw/zinc/61/81/78/402618178.db2.gz QAYKKPSHXAVNSL-UHFFFAOYSA-N -1 3 321.362 2.468 20 5 DEBDHM COC(=O)c1cc([N-]C(=O)c2csnc2C)cc([N+](=O)[O-])c1 ZINC000182033260 402664799 /nfs/dbraw/zinc/66/47/99/402664799.db2.gz KOSIOXSVJKGKIN-UHFFFAOYSA-N -1 3 321.314 2.399 20 5 DEBDHM C[C@H]1C[C@@H](C(=O)[O-])CN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000263378037 402764078 /nfs/dbraw/zinc/76/40/78/402764078.db2.gz WVOWGCOEMWHUKV-NWDGAFQWSA-N -1 3 308.334 2.016 20 5 DEBDHM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCc2ccc(F)cc21 ZINC000195108187 402832238 /nfs/dbraw/zinc/83/22/38/402832238.db2.gz ZTQAYFOIAOTOTQ-UHFFFAOYSA-N -1 3 303.249 2.037 20 5 DEBDHM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC[C@@H](N2CCCCC2)C1 ZINC000272475845 402941575 /nfs/dbraw/zinc/94/15/75/402941575.db2.gz FFPGDODZELXLGP-CYBMUJFWSA-N -1 3 319.361 2.001 20 5 DEBDHM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@@H](N2CCCCC2)C1 ZINC000272378206 402930029 /nfs/dbraw/zinc/93/00/29/402930029.db2.gz IKVRRVIMLGTGGO-CYBMUJFWSA-N -1 3 319.361 2.001 20 5 DEBDHM Cc1nn(C)cc1C[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000274772693 403086136 /nfs/dbraw/zinc/08/61/36/403086136.db2.gz JZOKFLIQEPSXLQ-UHFFFAOYSA-N -1 3 324.287 2.045 20 5 DEBDHM COc1ccc(S(=O)(=O)[N-]CCC=C(C)C)c([N+](=O)[O-])c1 ZINC000276567858 403187112 /nfs/dbraw/zinc/18/71/12/403187112.db2.gz AGLJMSXMFUATBN-UHFFFAOYSA-N -1 3 314.363 2.238 20 5 DEBDHM Cc1[nH]nc(C(=O)[N-]c2nc3c(s2)C[C@@H](C)CC3)c1[N+](=O)[O-] ZINC000331805875 403457098 /nfs/dbraw/zinc/45/70/98/403457098.db2.gz SZAPZSMCNOAQEP-LURJTMIESA-N -1 3 321.362 2.460 20 5 DEBDHM CC1(C)C[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000352470730 404394228 /nfs/dbraw/zinc/39/42/28/404394228.db2.gz MLUVOWYXXXBIHV-QMMMGPOBSA-N -1 3 302.327 2.058 20 5 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O=[N+]([O-])c1cnc(NCCC2=CCCC2)c(-c2nnn[n-]2)c1 ZINC000826500914 607810089 /nfs/dbraw/zinc/81/00/89/607810089.db2.gz RJFXXTZZIFAGKZ-UHFFFAOYSA-N -1 3 301.310 2.082 20 5 DEBDHM O=[N+]([O-])c1cnc(NCCC2=CCCC2)c(-c2nn[n-]n2)c1 ZINC000826500914 607810090 /nfs/dbraw/zinc/81/00/90/607810090.db2.gz RJFXXTZZIFAGKZ-UHFFFAOYSA-N -1 3 301.310 2.082 20 5 DEBDHM C[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC000824883450 608195589 /nfs/dbraw/zinc/19/55/89/608195589.db2.gz HCWIIPQTGMLZLP-VHSXEESVSA-N -1 3 318.337 2.002 20 5 DEBDHM C[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC000824883450 608195590 /nfs/dbraw/zinc/19/55/90/608195590.db2.gz HCWIIPQTGMLZLP-VHSXEESVSA-N -1 3 318.337 2.002 20 5 DEBDHM CC1([C@@H]2CCCN(Cc3cc([O-])ccc3[N+](=O)[O-])C2)OCCO1 ZINC000753597585 639318862 /nfs/dbraw/zinc/31/88/62/639318862.db2.gz YINVUKZVFDUIGW-CYBMUJFWSA-N -1 3 322.361 2.275 20 5 DEBDHM O=c1[n-]ccc(N2CCCC[C@H]([C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000897563309 640804411 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CC(C)OCCCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824314800 648564810 /nfs/dbraw/zinc/56/48/10/648564810.db2.gz GPXWFAUJXMNIIU-UHFFFAOYSA-N -1 3 320.353 2.392 20 5 DEBDHM CC(C)OCCCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824314800 648564811 /nfs/dbraw/zinc/56/48/11/648564811.db2.gz GPXWFAUJXMNIIU-UHFFFAOYSA-N -1 3 320.353 2.392 20 5 DEBDHM Cc1nc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])ccc1[C@H](C)O ZINC000853466153 652550495 /nfs/dbraw/zinc/55/04/95/652550495.db2.gz TZEKSWGXGWEMSL-VIFPVBQESA-N -1 3 304.306 2.064 20 5 DEBDHM C[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000853558315 652568238 /nfs/dbraw/zinc/56/82/38/652568238.db2.gz HEYXPNLQNYGXPT-MRVPVSSYSA-N -1 3 312.326 2.021 20 5 DEBDHM CCc1ccc([C@@H](O)CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000853609846 652578145 /nfs/dbraw/zinc/57/81/45/652578145.db2.gz VMQFWKQUKDDBSW-ZDUSSCGKSA-N -1 3 303.318 2.403 20 5 DEBDHM C[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC[C@H](C(F)(F)F)O1 ZINC000872752185 689084121 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DEBDHM CC(C)(C(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC001094716631 793048116 /nfs/dbraw/zinc/04/81/16/793048116.db2.gz CWDRCRZWPZVOEO-UHFFFAOYSA-N -1 3 322.365 2.050 20 5 DEBDHM O=c1[nH][n-]cc1CCCNc1ccc2cccc([N+](=O)[O-])c2n1 ZINC001156277847 797963554 /nfs/dbraw/zinc/96/35/54/797963554.db2.gz BWAZJWVQJZGDPV-NSHDSACASA-N -1 3 313.317 2.067 20 5 DEBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(N3CCOCC3)nc2)c1 ZINC001199802643 798541602 /nfs/dbraw/zinc/54/16/02/798541602.db2.gz WGAXLLOXZPBVJK-UHFFFAOYSA-N -1 3 316.317 2.276 20 5 DEBDHM O=c1[nH][n-]cc1CCCNc1nccc2c1cccc2[N+](=O)[O-] ZINC001163823902 799440788 /nfs/dbraw/zinc/44/07/88/799440788.db2.gz VKABABBWNSSUIL-JTQLQIEISA-N -1 3 313.317 2.067 20 5 DEBDHM O=c1[n-]cc(-c2nc(-c3cccn4ccnc34)no2)cc1[N+](=O)[O-] ZINC001212844462 799457094 /nfs/dbraw/zinc/45/70/94/799457094.db2.gz VGBATJCTITYNQD-UHFFFAOYSA-N -1 3 324.256 2.060 20 5 DEBDHM O=c1[nH][n-]cc1CCCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC001164382225 799590232 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DEBDHM CN1CCC[C@@H](Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])C1 ZINC001228861884 803422862 /nfs/dbraw/zinc/42/28/62/803422862.db2.gz IMZXAMVDGPDWEA-SSDOTTSWSA-N -1 3 321.255 2.187 20 5 DEBDHM CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)(C)CC(=O)[O-] ZINC001598537494 992857889 /nfs/dbraw/zinc/85/78/89/992857889.db2.gz GEICIARXPJUEDD-UHFFFAOYSA-N -1 3 306.322 2.156 20 5 DEBDHM C[C@@H](O)C[C@@H]1CCCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001593449414 995339079 /nfs/dbraw/zinc/33/90/79/995339079.db2.gz DOFMSACESNQQTA-RISCZKNCSA-N -1 3 322.361 2.418 20 5 DEBDHM C/C(=C\Cl)CSc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001602902141 1069790612 /nfs/dbraw/zinc/79/06/12/1069790612.db2.gz RXCVKFARZMTIJA-ZZXKWVIFSA-N -1 3 312.742 2.405 20 5 DEBDHM C/C(=C\Cl)CSc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001602902141 1069790620 /nfs/dbraw/zinc/79/06/20/1069790620.db2.gz RXCVKFARZMTIJA-ZZXKWVIFSA-N -1 3 312.742 2.405 20 5 DEBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1ccccn1 ZINC001603682078 1070044264 /nfs/dbraw/zinc/04/42/64/1070044264.db2.gz OBCFDVLVZHELDR-VIFPVBQESA-N -1 3 311.305 2.343 20 5 DEBDHM C[C@@H]1CCC[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603892140 1070140794 /nfs/dbraw/zinc/14/07/94/1070140794.db2.gz ZIBPCNSKOMESHI-RKDXNWHRSA-N -1 3 303.326 2.018 20 5 DEBDHM C[C@@H]1CCC[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603892140 1070140801 /nfs/dbraw/zinc/14/08/01/1070140801.db2.gz ZIBPCNSKOMESHI-RKDXNWHRSA-N -1 3 303.326 2.018 20 5 DEBDHM CO[C@@H](C)CSCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605005548 1070565377 /nfs/dbraw/zinc/56/53/77/1070565377.db2.gz MLETVLQRAVOWCY-QMMMGPOBSA-N -1 3 309.351 2.043 20 5 DEBDHM CO[C@@H](C)CSCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605005548 1070565386 /nfs/dbraw/zinc/56/53/86/1070565386.db2.gz MLETVLQRAVOWCY-QMMMGPOBSA-N -1 3 309.351 2.043 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCCC(F)(F)F ZINC001607084395 1071292567 /nfs/dbraw/zinc/29/25/67/1071292567.db2.gz CUJVZMMNHVZTQK-UHFFFAOYSA-N -1 3 302.216 2.139 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCCC(F)(F)F ZINC001607084395 1071292570 /nfs/dbraw/zinc/29/25/70/1071292570.db2.gz CUJVZMMNHVZTQK-UHFFFAOYSA-N -1 3 302.216 2.139 20 5 DEBDHM NC(=O)c1ccc([N-]C(=O)c2c(F)cccc2[N+](=O)[O-])c(F)c1 ZINC001532809093 1071728783 /nfs/dbraw/zinc/72/87/83/1071728783.db2.gz KWBRSBPKKZCUPR-UHFFFAOYSA-N -1 3 321.239 2.224 20 5 DEBDHM CC(C)OC(=O)c1cc(NC(=O)c2csc([N+](=O)[O-])c2)[n-]n1 ZINC001472090414 1060403092 /nfs/dbraw/zinc/40/30/92/1060403092.db2.gz BPAAUVBOTZPSAZ-UHFFFAOYSA-N -1 3 324.318 2.197 20 5 DEBDHM CC(C)OC(=O)c1cc(NC(=O)c2csc([N+](=O)[O-])c2)n[n-]1 ZINC001472090414 1060403109 /nfs/dbraw/zinc/40/31/09/1060403109.db2.gz BPAAUVBOTZPSAZ-UHFFFAOYSA-N -1 3 324.318 2.197 20 5 DEBDHM O=C(CCc1cc(F)ccc1[N+](=O)[O-])[N-]OCc1ccccn1 ZINC001629525840 1078320370 /nfs/dbraw/zinc/32/03/70/1078320370.db2.gz SEFHSMRIIPFVCS-UHFFFAOYSA-N -1 3 319.292 2.310 20 5 DEBDHM CSc1cncc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC001630325242 1078338317 /nfs/dbraw/zinc/33/83/17/1078338317.db2.gz NJJOXAAPOVVDSJ-UHFFFAOYSA-N -1 3 306.303 2.065 20 5 DEBDHM CCOc1cc(C(=O)[N-]c2n[nH]c3ccc([N+](=O)[O-])cc32)on1 ZINC001637906213 1078538573 /nfs/dbraw/zinc/53/85/73/1078538573.db2.gz DALBCVLEWUVGOC-UHFFFAOYSA-N -1 3 317.261 2.110 20 5 DEBDHM COc1ccc(OCCNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001639204930 1078600860 /nfs/dbraw/zinc/60/08/60/1078600860.db2.gz YSLZHKZMMZYUPX-UHFFFAOYSA-N -1 3 305.290 2.195 20 5 DEBDHM C[C@H](Nc1ncc([N+](=O)[O-])s1)c1nc(C(F)(F)F)n[n-]1 ZINC001643234385 1078792352 /nfs/dbraw/zinc/79/23/52/1078792352.db2.gz DSVHVAMBUWNZOD-VKHMYHEASA-N -1 3 308.245 2.361 20 5 DEBDHM CC(C)(C)[C@@H](N)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001573458401 1069004021 /nfs/dbraw/zinc/00/40/21/1069004021.db2.gz UGHPERMVAGGNDX-JTQLQIEISA-N -1 3 301.730 2.266 20 5 DEBDHM CC1(C)C[C@]1(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001671221505 1078947639 /nfs/dbraw/zinc/94/76/39/1078947639.db2.gz RKNOGOLCPDQSDR-CYBMUJFWSA-N -1 3 316.354 2.448 20 5 DEBDHM COC(=O)c1[n-]cnc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001587265387 1076415646 /nfs/dbraw/zinc/41/56/46/1076415646.db2.gz LTSZFQMBDPSMKA-UHFFFAOYSA-N -1 3 324.680 2.010 20 5 DEBDHM COC(=O)c1nc[n-]c1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001587265387 1076415649 /nfs/dbraw/zinc/41/56/49/1076415649.db2.gz LTSZFQMBDPSMKA-UHFFFAOYSA-N -1 3 324.680 2.010 20 5 DEBDHM CC1(C)SC[C@H]1Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590117227 1076567885 /nfs/dbraw/zinc/56/78/85/1076567885.db2.gz JBUMZVPFNCITGZ-SNVBAGLBSA-N -1 3 306.351 2.081 20 5 DEBDHM CC1(C)SC[C@H]1Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590117227 1076567888 /nfs/dbraw/zinc/56/78/88/1076567888.db2.gz JBUMZVPFNCITGZ-SNVBAGLBSA-N -1 3 306.351 2.081 20 5 DEBDHM CC1(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCOCC1 ZINC001590133935 1076570258 /nfs/dbraw/zinc/57/02/58/1076570258.db2.gz JWJNHDNEGITOCH-UHFFFAOYSA-N -1 3 318.337 2.004 20 5 DEBDHM C[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001590261283 1076603106 /nfs/dbraw/zinc/60/31/06/1076603106.db2.gz MCFYALCKVJATPU-JTQLQIEISA-N -1 3 302.338 2.401 20 5 DEBDHM C[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001590261283 1076603107 /nfs/dbraw/zinc/60/31/07/1076603107.db2.gz MCFYALCKVJATPU-JTQLQIEISA-N -1 3 302.338 2.401 20 5 DEBDHM CN(C[C@H]1CC1(C)C)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591053998 1076707222 /nfs/dbraw/zinc/70/72/22/1076707222.db2.gz ZUEKYNFQXHFATO-SNVBAGLBSA-N -1 3 302.338 2.257 20 5 DEBDHM CN(C[C@H]1CC1(C)C)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591053998 1076707225 /nfs/dbraw/zinc/70/72/25/1076707225.db2.gz ZUEKYNFQXHFATO-SNVBAGLBSA-N -1 3 302.338 2.257 20 5 DEBDHM CN(CCC(C)(C)C)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591064950 1076708744 /nfs/dbraw/zinc/70/87/44/1076708744.db2.gz ZVYIRAAPGYSPQF-UHFFFAOYSA-N -1 3 305.342 2.042 20 5 DEBDHM CN(CCC(C)(C)C)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591064950 1076708746 /nfs/dbraw/zinc/70/87/46/1076708746.db2.gz ZVYIRAAPGYSPQF-UHFFFAOYSA-N -1 3 305.342 2.042 20 5 DEBDHM CO[C@@H]([C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CC1 ZINC001591325970 1076723480 /nfs/dbraw/zinc/72/34/80/1076723480.db2.gz DZAFWWVBTQFYLL-OQPBUACISA-N -1 3 318.337 2.000 20 5 DEBDHM CO[C@@H]([C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CC1 ZINC001591325970 1076723485 /nfs/dbraw/zinc/72/34/85/1076723485.db2.gz DZAFWWVBTQFYLL-OQPBUACISA-N -1 3 318.337 2.000 20 5 DEBDHM Cc1ccsc1CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592284232 1076889783 /nfs/dbraw/zinc/88/97/83/1076889783.db2.gz XPFBPRMLYDZVKJ-UHFFFAOYSA-N -1 3 317.334 2.152 20 5 DEBDHM Cc1ccsc1CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592284232 1076889788 /nfs/dbraw/zinc/88/97/88/1076889788.db2.gz XPFBPRMLYDZVKJ-UHFFFAOYSA-N -1 3 317.334 2.152 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@H]1CCC[C@H](F)C1 ZINC001593474834 1077008598 /nfs/dbraw/zinc/00/85/98/1077008598.db2.gz LGSRVRLTSGQAKJ-UWVGGRQHSA-N -1 3 306.301 2.468 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@H]1CCC[C@H](F)C1 ZINC001593474834 1077008607 /nfs/dbraw/zinc/00/86/07/1077008607.db2.gz LGSRVRLTSGQAKJ-UWVGGRQHSA-N -1 3 306.301 2.468 20 5 DEBDHM O=[N+]([O-])c1ccc2c(c1)CN(c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC001593479504 1077009704 /nfs/dbraw/zinc/00/97/04/1077009704.db2.gz HOYYWZLJGIHZSA-UHFFFAOYSA-N -1 3 322.328 2.338 20 5 DEBDHM Cc1oc(C(=O)[O-])cc1CNCCOc1ccc([N+](=O)[O-])cc1 ZINC001600831669 1077283094 /nfs/dbraw/zinc/28/30/94/1077283094.db2.gz XUQIORBFTORIQS-UHFFFAOYSA-N -1 3 320.301 2.363 20 5 DEBDHM C[C@@H](Cc1ccco1)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609115520 1077765088 /nfs/dbraw/zinc/76/50/88/1077765088.db2.gz AASQCCKOCAAJPO-VIFPVBQESA-N -1 3 314.305 2.411 20 5 DEBDHM COCC1(CCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001609319289 1077833361 /nfs/dbraw/zinc/83/33/61/1077833361.db2.gz OTRGOQZBUUBPMG-UHFFFAOYSA-N -1 3 318.337 2.004 20 5 DEBDHM COCC1(CCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001609319289 1077833367 /nfs/dbraw/zinc/83/33/67/1077833367.db2.gz OTRGOQZBUUBPMG-UHFFFAOYSA-N -1 3 318.337 2.004 20 5 DEBDHM CS[C@@H]1CC[C@@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001609369673 1077842190 /nfs/dbraw/zinc/84/21/90/1077842190.db2.gz INXKEDOKAPVMQC-RKDXNWHRSA-N -1 3 320.378 2.471 20 5 DEBDHM CS[C@@H]1CC[C@@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001609369673 1077842193 /nfs/dbraw/zinc/84/21/93/1077842193.db2.gz INXKEDOKAPVMQC-RKDXNWHRSA-N -1 3 320.378 2.471 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCC(C2CC2)CC1 ZINC001609603007 1077882172 /nfs/dbraw/zinc/88/21/72/1077882172.db2.gz UXMLOLMSVOYAMQ-UHFFFAOYSA-N -1 3 314.349 2.401 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCC(C2CC2)CC1 ZINC001609603007 1077882175 /nfs/dbraw/zinc/88/21/75/1077882175.db2.gz UXMLOLMSVOYAMQ-UHFFFAOYSA-N -1 3 314.349 2.401 20 5 DEBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001610515097 1078032845 /nfs/dbraw/zinc/03/28/45/1078032845.db2.gz OXHKOYZONMFJNG-XHDPSFHLSA-N -1 3 322.361 2.122 20 5 DEBDHM COc1c(F)nccc1[N-]C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC001653376501 1079927216 /nfs/dbraw/zinc/92/72/16/1079927216.db2.gz OOWYPDZHXZGPJL-UHFFFAOYSA-N -1 3 323.284 2.236 20 5 DEBDHM C[C@H](CN(C)c1ccc([N+](=O)[O-])cc1C(F)F)c1nnn[n-]1 ZINC001655357031 1079995092 /nfs/dbraw/zinc/99/50/92/1079995092.db2.gz NVDPXBKIABOVRP-SSDOTTSWSA-N -1 3 312.280 2.285 20 5 DEBDHM C[C@H](CN(C)c1ccc([N+](=O)[O-])cc1C(F)F)c1nn[n-]n1 ZINC001655357031 1079995097 /nfs/dbraw/zinc/99/50/97/1079995097.db2.gz NVDPXBKIABOVRP-SSDOTTSWSA-N -1 3 312.280 2.285 20 5 DEBDHM O=c1[n-]ccc(NCc2nc3cnccc3s2)c1[N+](=O)[O-] ZINC001655853943 1080022823 /nfs/dbraw/zinc/02/28/23/1080022823.db2.gz VGCPJAVECHCRII-UHFFFAOYSA-N -1 3 303.303 2.312 20 5 DEBDHM COc1cc([O-])c(C)c(O[C@H](C[N+](=O)[O-])C2CC2)c1C(C)=O ZINC001234792275 1084210365 /nfs/dbraw/zinc/21/03/65/1084210365.db2.gz YCFNBWQJCBOFFD-CYBMUJFWSA-N -1 3 309.318 2.346 20 5 DEBDHM COc1nscc1[N-]C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC001303229062 1147323262 /nfs/dbraw/zinc/32/32/62/1147323262.db2.gz NDCAKRMOHHYANV-UHFFFAOYSA-N -1 3 309.303 2.321 20 5 DEBDHM O=c1cc([C@@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)C2)[n-][nH]1 ZINC001307157832 1147400727 /nfs/dbraw/zinc/40/07/27/1147400727.db2.gz ZRWNIQJDKSUUSA-SSDOTTSWSA-N -1 3 309.713 2.066 20 5 DEBDHM CSCCO[N-]C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000279959556 215271734 /nfs/dbraw/zinc/27/17/34/215271734.db2.gz JNGPLUWFVMUBQK-UHFFFAOYSA-N -1 3 304.755 2.202 20 5 DEBDHM O=C(N[C@@H]1CCN(C2CCCC2)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000331892408 234244457 /nfs/dbraw/zinc/24/44/57/234244457.db2.gz FQZQLRZTALDCBZ-GFCCVEGCSA-N -1 3 319.361 2.047 20 5 DEBDHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000047343237 354314248 /nfs/dbraw/zinc/31/42/48/354314248.db2.gz JZLUYXQIMBCRFH-UHFFFAOYSA-N -1 3 310.273 2.027 20 5 DEBDHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000047343237 354314251 /nfs/dbraw/zinc/31/42/51/354314251.db2.gz JZLUYXQIMBCRFH-UHFFFAOYSA-N -1 3 310.273 2.027 20 5 DEBDHM COc1ccc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)c([O-])c1 ZINC000054168292 354454762 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COC(=O)[C@@H]1CCC[C@H](Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])C1 ZINC001228688625 803395664 /nfs/dbraw/zinc/39/56/64/803395664.db2.gz LKUZWFUXPGUNRM-ZJUUUORDSA-N -1 3 310.306 2.114 20 5 DEBDHM COc1cc(CN2CC[C@H](C(=O)[O-])[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC001594056695 958041508 /nfs/dbraw/zinc/04/15/08/958041508.db2.gz UWEHIMRMILLSCP-JQWIXIFHSA-N -1 3 308.334 2.146 20 5 DEBDHM CN(CCc1ccccc1[N+](=O)[O-])C[C@@H]1[C@H](C(=O)[O-])C1(F)F ZINC001598502431 992452115 /nfs/dbraw/zinc/45/21/15/992452115.db2.gz ZMRUOWLSLNUXBZ-ZYHUDNBSSA-N -1 3 314.288 2.035 20 5 DEBDHM CC(C)CCSc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001603284648 1069932380 /nfs/dbraw/zinc/93/23/80/1069932380.db2.gz IAJWSENBCVFHQP-UHFFFAOYSA-N -1 3 308.367 2.495 20 5 DEBDHM CC(C)CCSc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001603284648 1069932384 /nfs/dbraw/zinc/93/23/84/1069932384.db2.gz IAJWSENBCVFHQP-UHFFFAOYSA-N -1 3 308.367 2.495 20 5 DEBDHM CC(C)OCCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001603354601 1069954719 /nfs/dbraw/zinc/95/47/19/1069954719.db2.gz RYKWYSTVAFTASQ-UHFFFAOYSA-N -1 3 306.326 2.002 20 5 DEBDHM CC(C)OCCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001603354601 1069954729 /nfs/dbraw/zinc/95/47/29/1069954729.db2.gz RYKWYSTVAFTASQ-UHFFFAOYSA-N -1 3 306.326 2.002 20 5 DEBDHM CC1(C)C[C@]1(C)CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001603765289 1070086399 /nfs/dbraw/zinc/08/63/99/1070086399.db2.gz PVFLEAFEAZBHDW-CQSZACIVSA-N -1 3 317.353 2.205 20 5 DEBDHM CC1(C)C[C@]1(C)CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001603765289 1070086413 /nfs/dbraw/zinc/08/64/13/1070086413.db2.gz PVFLEAFEAZBHDW-CQSZACIVSA-N -1 3 317.353 2.205 20 5 DEBDHM C[C@H]1CC[C@@H](CNc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001603877931 1070131495 /nfs/dbraw/zinc/13/14/95/1070131495.db2.gz FEHLOADXCQOPCO-DTWKUNHWSA-N -1 3 317.353 2.205 20 5 DEBDHM C[C@H]1CC[C@@H](CNc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001603877931 1070131498 /nfs/dbraw/zinc/13/14/98/1070131498.db2.gz FEHLOADXCQOPCO-DTWKUNHWSA-N -1 3 317.353 2.205 20 5 DEBDHM C[C@H]1CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC[C@@H]1C ZINC001603911443 1070145741 /nfs/dbraw/zinc/14/57/41/1070145741.db2.gz NZYLTBQWYNHEFP-UWVGGRQHSA-N -1 3 302.338 2.257 20 5 DEBDHM C[C@H]1CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC[C@@H]1C ZINC001603911443 1070145743 /nfs/dbraw/zinc/14/57/43/1070145743.db2.gz NZYLTBQWYNHEFP-UWVGGRQHSA-N -1 3 302.338 2.257 20 5 DEBDHM CC[C@H]1CCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001604105462 1070221659 /nfs/dbraw/zinc/22/16/59/1070221659.db2.gz HLMSXUSVYRLMRG-QMMMGPOBSA-N -1 3 306.301 2.150 20 5 DEBDHM CC[C@H]1CCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001604105462 1070221672 /nfs/dbraw/zinc/22/16/72/1070221672.db2.gz HLMSXUSVYRLMRG-QMMMGPOBSA-N -1 3 306.301 2.150 20 5 DEBDHM CCC[C@H](C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604135216 1070238512 /nfs/dbraw/zinc/23/85/12/1070238512.db2.gz QYCKHOYWJNGHCC-VIFPVBQESA-N -1 3 319.321 2.254 20 5 DEBDHM CCC[C@H](C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604135216 1070238526 /nfs/dbraw/zinc/23/85/26/1070238526.db2.gz QYCKHOYWJNGHCC-VIFPVBQESA-N -1 3 319.321 2.254 20 5 DEBDHM CCOCCCSCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604431302 1070383032 /nfs/dbraw/zinc/38/30/32/1070383032.db2.gz URXMGPIYYOEDHF-UHFFFAOYSA-N -1 3 323.378 2.435 20 5 DEBDHM CCOCCCSCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604431302 1070383044 /nfs/dbraw/zinc/38/30/44/1070383044.db2.gz URXMGPIYYOEDHF-UHFFFAOYSA-N -1 3 323.378 2.435 20 5 DEBDHM COC(C)(C)CCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001604995670 1070558373 /nfs/dbraw/zinc/55/83/73/1070558373.db2.gz LVNPJNKCSVWSEA-UHFFFAOYSA-N -1 3 306.326 2.002 20 5 DEBDHM COC(C)(C)CCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001604995670 1070558380 /nfs/dbraw/zinc/55/83/80/1070558380.db2.gz LVNPJNKCSVWSEA-UHFFFAOYSA-N -1 3 306.326 2.002 20 5 DEBDHM Cc1cc(N(C)CCC2CC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605688509 1070842462 /nfs/dbraw/zinc/84/24/62/1070842462.db2.gz RUSWOQCINRPPHS-UHFFFAOYSA-N -1 3 302.338 2.320 20 5 DEBDHM Cc1cc(N(C)CCC2CC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605688509 1070842488 /nfs/dbraw/zinc/84/24/88/1070842488.db2.gz RUSWOQCINRPPHS-UHFFFAOYSA-N -1 3 302.338 2.320 20 5 DEBDHM O=C(Nc1ccc([N+](=O)[O-])cc1)c1csc(-c2nnn[n-]2)c1 ZINC001606928980 1071246535 /nfs/dbraw/zinc/24/65/35/1071246535.db2.gz LTXPDNNQJIGFCS-UHFFFAOYSA-N -1 3 316.302 2.089 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCCC[C@H]1CCOC1 ZINC001607084498 1071292597 /nfs/dbraw/zinc/29/25/97/1071292597.db2.gz JDQZQRLAHMAGTL-JTQLQIEISA-N -1 3 318.337 2.004 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCCC[C@H]1CCOC1 ZINC001607084498 1071292601 /nfs/dbraw/zinc/29/26/01/1071292601.db2.gz JDQZQRLAHMAGTL-JTQLQIEISA-N -1 3 318.337 2.004 20 5 DEBDHM COc1nscc1[N-]C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC001455355726 1057700919 /nfs/dbraw/zinc/70/09/19/1057700919.db2.gz OZXWLASRRXKKHV-UHFFFAOYSA-N -1 3 312.282 2.034 20 5 DEBDHM O=C([N-]c1ccnc(F)c1F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001461695505 1058698261 /nfs/dbraw/zinc/69/82/61/1058698261.db2.gz RXEJYBTVDWEAGP-UHFFFAOYSA-N -1 3 324.199 2.429 20 5 DEBDHM Cc1cccc([O-])c1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001463740671 1059017201 /nfs/dbraw/zinc/01/72/01/1059017201.db2.gz KLNSAGCFVOPQQT-UHFFFAOYSA-N -1 3 315.329 2.451 20 5 DEBDHM COc1ccc(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1O ZINC001612852927 1078114313 /nfs/dbraw/zinc/11/43/13/1078114313.db2.gz FOUZUAGQVJSKSV-UHFFFAOYSA-N -1 3 305.290 2.064 20 5 DEBDHM Cc1cc(S(=O)(=O)[N-]C/C=C/C2CC2)c(F)cc1[N+](=O)[O-] ZINC001622165215 1078185432 /nfs/dbraw/zinc/18/54/32/1078185432.db2.gz GUCVSLPIKZHOGW-NSCUHMNNSA-N -1 3 314.338 2.287 20 5 DEBDHM O=c1[n-]ccc(NCc2nnc3ccc(Cl)cn32)c1[N+](=O)[O-] ZINC001640333375 1078654750 /nfs/dbraw/zinc/65/47/50/1078654750.db2.gz IMPCAMFDYFSGFO-UHFFFAOYSA-N -1 3 320.696 2.004 20 5 DEBDHM CCOc1ccccc1N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001566432501 1075243836 /nfs/dbraw/zinc/24/38/36/1075243836.db2.gz SGWWSMNRIOCZKS-UHFFFAOYSA-N -1 3 317.301 2.371 20 5 DEBDHM CC(C)(C)[C@H]1CCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589104127 1076475953 /nfs/dbraw/zinc/47/59/53/1076475953.db2.gz AMJWGMDMFDUPCJ-GFCCVEGCSA-N -1 3 302.338 2.400 20 5 DEBDHM CC(C)(C)[C@H]1CCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589104127 1076475957 /nfs/dbraw/zinc/47/59/57/1076475957.db2.gz AMJWGMDMFDUPCJ-GFCCVEGCSA-N -1 3 302.338 2.400 20 5 DEBDHM CC(C)C1CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001589509781 1076494950 /nfs/dbraw/zinc/49/49/50/1076494950.db2.gz VOAJVKDNBHFVBE-UHFFFAOYSA-N -1 3 317.353 2.042 20 5 DEBDHM CC(C)C1CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001589509781 1076494953 /nfs/dbraw/zinc/49/49/53/1076494953.db2.gz VOAJVKDNBHFVBE-UHFFFAOYSA-N -1 3 317.353 2.042 20 5 DEBDHM C[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CS1 ZINC001590207455 1076584161 /nfs/dbraw/zinc/58/41/61/1076584161.db2.gz RZFPKBWKUMLRTQ-VXNVDRBHSA-N -1 3 306.351 2.081 20 5 DEBDHM C[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CS1 ZINC001590207455 1076584165 /nfs/dbraw/zinc/58/41/65/1076584165.db2.gz RZFPKBWKUMLRTQ-VXNVDRBHSA-N -1 3 306.351 2.081 20 5 DEBDHM C[C@@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CS1 ZINC001590207757 1076584577 /nfs/dbraw/zinc/58/45/77/1076584577.db2.gz UGWFDUYPRPKWAA-VXNVDRBHSA-N -1 3 306.351 2.081 20 5 DEBDHM C[C@@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CS1 ZINC001590207757 1076584581 /nfs/dbraw/zinc/58/45/81/1076584581.db2.gz UGWFDUYPRPKWAA-VXNVDRBHSA-N -1 3 306.351 2.081 20 5 DEBDHM C[C@@H]1CCC[C@@H](CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])O1 ZINC001590240121 1076595022 /nfs/dbraw/zinc/59/50/22/1076595022.db2.gz CIIHVNOZNBNSQL-ZJUUUORDSA-N -1 3 318.337 2.144 20 5 DEBDHM C[C@@H]1CCC[C@@H](CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])O1 ZINC001590240121 1076595025 /nfs/dbraw/zinc/59/50/25/1076595025.db2.gz CIIHVNOZNBNSQL-ZJUUUORDSA-N -1 3 318.337 2.144 20 5 DEBDHM C[C@H]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590253161 1076601027 /nfs/dbraw/zinc/60/10/27/1076601027.db2.gz QYZYKVHYZPSUOG-UWVGGRQHSA-N -1 3 317.353 2.408 20 5 DEBDHM C[C@H]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590253161 1076601028 /nfs/dbraw/zinc/60/10/28/1076601028.db2.gz QYZYKVHYZPSUOG-UWVGGRQHSA-N -1 3 317.353 2.408 20 5 DEBDHM C[C@@H]1CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC001590313194 1076610335 /nfs/dbraw/zinc/61/03/35/1076610335.db2.gz LVLMXUOKCYWFCY-UTLUCORTSA-N -1 3 302.338 2.256 20 5 DEBDHM C[C@@H]1CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC001590313194 1076610337 /nfs/dbraw/zinc/61/03/37/1076610337.db2.gz LVLMXUOKCYWFCY-UTLUCORTSA-N -1 3 302.338 2.256 20 5 DEBDHM C/C=C(/CC)C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590351510 1076614540 /nfs/dbraw/zinc/61/45/40/1076614540.db2.gz GWIYHKDNLPJPQB-OQFOIZHKSA-N -1 3 317.305 2.174 20 5 DEBDHM C/C=C(/CC)C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590351510 1076614544 /nfs/dbraw/zinc/61/45/44/1076614544.db2.gz GWIYHKDNLPJPQB-OQFOIZHKSA-N -1 3 317.305 2.174 20 5 DEBDHM CC[C@H](C)[C@@H](CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)OC ZINC001590399629 1076620638 /nfs/dbraw/zinc/62/06/38/1076620638.db2.gz JURFCIHMRRDCIY-TVQRCGJNSA-N -1 3 320.353 2.248 20 5 DEBDHM CC[C@@H]1C[C@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCO1 ZINC001590503723 1076641447 /nfs/dbraw/zinc/64/14/47/1076641447.db2.gz AQTWQUQZKKFWLV-NXEZZACHSA-N -1 3 318.337 2.144 20 5 DEBDHM CC[C@@H]1C[C@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCO1 ZINC001590503723 1076641448 /nfs/dbraw/zinc/64/14/48/1076641448.db2.gz AQTWQUQZKKFWLV-NXEZZACHSA-N -1 3 318.337 2.144 20 5 DEBDHM CCOCCCSCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590810923 1076680344 /nfs/dbraw/zinc/68/03/44/1076680344.db2.gz VGIMPJIUOIJILT-UHFFFAOYSA-N -1 3 323.378 2.435 20 5 DEBDHM CCOCCCSCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590810923 1076680347 /nfs/dbraw/zinc/68/03/47/1076680347.db2.gz VGIMPJIUOIJILT-UHFFFAOYSA-N -1 3 323.378 2.435 20 5 DEBDHM CO[C@@](C)(CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)C1CC1 ZINC001591318260 1076722388 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O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@H]1CCCSC1 ZINC001593475705 1077008000 /nfs/dbraw/zinc/00/80/00/1077008000.db2.gz SEZDJFWPUDSYDV-SECBINFHSA-N -1 3 320.378 2.330 20 5 DEBDHM O=[N+]([O-])c1ccc(N2CCC23CCCC3)c(-c2nnn[n-]2)c1 ZINC001593476774 1077008618 /nfs/dbraw/zinc/00/86/18/1077008618.db2.gz ZCKIBLYHSGZSOY-UHFFFAOYSA-N -1 3 300.322 2.298 20 5 DEBDHM O=[N+]([O-])c1ccc(N2CCC23CCCC3)c(-c2nn[n-]n2)c1 ZINC001593476774 1077008623 /nfs/dbraw/zinc/00/86/23/1077008623.db2.gz ZCKIBLYHSGZSOY-UHFFFAOYSA-N -1 3 300.322 2.298 20 5 DEBDHM O=C([O-])COc1ccc(CNCCC(F)(F)F)cc1[N+](=O)[O-] ZINC001602083066 1077503472 /nfs/dbraw/zinc/50/34/72/1077503472.db2.gz GXFMVSOXDCLXIU-UHFFFAOYSA-N -1 3 322.239 2.100 20 5 DEBDHM C[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)[C@H]1C ZINC001609166921 1077782634 /nfs/dbraw/zinc/78/26/34/1077782634.db2.gz KAWBCHZMJUETMD-ZJUUUORDSA-N -1 3 302.338 2.400 20 5 DEBDHM CS[C@@H]1CC[C@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001609369671 1077842724 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O=C([O-])CCC1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000846225656 651316671 /nfs/dbraw/zinc/31/66/71/651316671.db2.gz PFJHJBFYJYKUII-OAHLLOKOSA-N -1 3 322.361 2.205 20 5 DEBDHM O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[N-]OCC1CCC1 ZINC000856350061 651902964 /nfs/dbraw/zinc/90/29/64/651902964.db2.gz QHSBKUKGAVEFOG-UHFFFAOYSA-N -1 3 323.305 2.284 20 5 DEBDHM O=[N+]([O-])c1ccc(SCCc2nnn[n-]2)c(C(F)F)c1 ZINC000882473019 691289061 /nfs/dbraw/zinc/28/90/61/691289061.db2.gz HPXFJNSWQQURTN-UHFFFAOYSA-N -1 3 301.278 2.380 20 5 DEBDHM O=[N+]([O-])c1ccc(SCCc2nn[n-]n2)c(C(F)F)c1 ZINC000882473019 691289065 /nfs/dbraw/zinc/28/90/65/691289065.db2.gz HPXFJNSWQQURTN-UHFFFAOYSA-N -1 3 301.278 2.380 20 5 DEBDHM Cc1cc([N-]C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)no1 ZINC001125343065 776795140 /nfs/dbraw/zinc/79/51/40/776795140.db2.gz USYUHQBSONLAQD-UHFFFAOYSA-N -1 3 319.273 2.305 20 5 DEBDHM CC(C)CC(=O)N(C)CCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001112019964 778026463 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CCC(CC)CC(=O)N(C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101735364 793351667 /nfs/dbraw/zinc/35/16/67/793351667.db2.gz MUFXRMOUSOODSG-UHFFFAOYSA-N -1 3 324.381 2.392 20 5 DEBDHM C=C/C(C)=C/CC(=O)N(C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101895519 793429936 /nfs/dbraw/zinc/42/99/36/793429936.db2.gz SGWBBSNFCOEBLH-VZUCSPMQSA-N -1 3 320.349 2.088 20 5 DEBDHM CCCc1[nH]nc(C(=O)[N-]c2cc(OC)cnc2F)c1[N+](=O)[O-] ZINC001150011317 796913748 /nfs/dbraw/zinc/91/37/48/796913748.db2.gz KZRFOGQNZSOIEP-UHFFFAOYSA-N -1 3 323.284 2.065 20 5 DEBDHM CCOc1cnc(C(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)cn1 ZINC000800151850 799324505 /nfs/dbraw/zinc/32/45/05/799324505.db2.gz OWLMMHWBJDEEQX-UHFFFAOYSA-N -1 3 320.280 2.483 20 5 DEBDHM O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1cccc2nn[n-]c21 ZINC000800208593 799340975 /nfs/dbraw/zinc/34/09/75/799340975.db2.gz KVTJQWDVAFABRL-UHFFFAOYSA-N -1 3 316.248 2.362 20 5 DEBDHM O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1cccc2[n-]nnc21 ZINC000800208593 799340982 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DEBDHM Cc1nc(O[C@H]2CCN(c3ccccc3[N+](=O)[O-])C2)cc(=O)[n-]1 ZINC001226512060 803118547 /nfs/dbraw/zinc/11/85/47/803118547.db2.gz MJARFCPQMSYIKH-NSHDSACASA-N -1 3 316.317 2.057 20 5 DEBDHM C[C@@H](Oc1[n-]c(=O)nc2nccnc21)c1cccc([N+](=O)[O-])c1 ZINC001226990477 803187298 /nfs/dbraw/zinc/18/72/98/803187298.db2.gz WFTTWIUEFMERLC-MRVPVSSYSA-N -1 3 313.273 2.174 20 5 DEBDHM CC1(C)C(=O)CCC[C@@H]1Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227691411 803267978 /nfs/dbraw/zinc/26/79/78/803267978.db2.gz OAPYVIJKKICKPF-JTQLQIEISA-N -1 3 304.306 2.393 20 5 DEBDHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H](C[N+](=O)[O-])C1CC1 ZINC001228622004 803382229 /nfs/dbraw/zinc/38/22/29/803382229.db2.gz GHGUPWLTTFKNAV-LBPRGKRZSA-N -1 3 305.286 2.241 20 5 DEBDHM CC(C)CCN(C)c1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001574195455 950989261 /nfs/dbraw/zinc/98/92/61/950989261.db2.gz OXZOPVWKTHJKKB-UHFFFAOYSA-N -1 3 308.317 2.396 20 5 DEBDHM CC(C)CCN(C)c1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001574195455 950989270 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CC(C)CCCNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001603279326 1069929473 /nfs/dbraw/zinc/92/94/73/1069929473.db2.gz IBVUMTKBHKZOTN-UHFFFAOYSA-N -1 3 305.342 2.205 20 5 DEBDHM CC(C)CCCNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001603279326 1069929480 /nfs/dbraw/zinc/92/94/80/1069929480.db2.gz IBVUMTKBHKZOTN-UHFFFAOYSA-N -1 3 305.342 2.205 20 5 DEBDHM C[C@H](C[C@H]1CCOC1)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603465697 1069974100 /nfs/dbraw/zinc/97/41/00/1069974100.db2.gz HGPULORZXTWTST-NXEZZACHSA-N -1 3 318.337 2.002 20 5 DEBDHM C[C@H](C[C@H]1CCOC1)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001603465697 1069974111 /nfs/dbraw/zinc/97/41/11/1069974111.db2.gz HGPULORZXTWTST-NXEZZACHSA-N -1 3 318.337 2.002 20 5 DEBDHM C[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CS1 ZINC001603861573 1070124889 /nfs/dbraw/zinc/12/48/89/1070124889.db2.gz MGATUFONZQQCBK-CBAPKCEASA-N -1 3 306.351 2.081 20 5 DEBDHM C[C@@H]1[C@@H](C)[C@H](C)CN1c1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603938979 1070153123 /nfs/dbraw/zinc/15/31/23/1070153123.db2.gz IDOWNNXLBAUQDP-HRDYMLBCSA-N -1 3 320.328 2.395 20 5 DEBDHM C[C@@H]1[C@@H](C)[C@H](C)CN1c1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603938979 1070153127 /nfs/dbraw/zinc/15/31/27/1070153127.db2.gz IDOWNNXLBAUQDP-HRDYMLBCSA-N -1 3 320.328 2.395 20 5 DEBDHM C[C@H]1SCC[C@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603956468 1070159584 /nfs/dbraw/zinc/15/95/84/1070159584.db2.gz QPFUDSHXOUBYJN-VXNVDRBHSA-N -1 3 306.351 2.081 20 5 DEBDHM C[C@H]1SCC[C@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603956468 1070159587 /nfs/dbraw/zinc/15/95/87/1070159587.db2.gz QPFUDSHXOUBYJN-VXNVDRBHSA-N -1 3 306.351 2.081 20 5 DEBDHM CCc1ccc(Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001604524961 1070421692 /nfs/dbraw/zinc/42/16/92/1070421692.db2.gz PHRHZJDHNHFJIG-UHFFFAOYSA-N -1 3 311.305 2.476 20 5 DEBDHM CCc1ccc(Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001604524961 1070421696 /nfs/dbraw/zinc/42/16/96/1070421696.db2.gz PHRHZJDHNHFJIG-UHFFFAOYSA-N -1 3 311.305 2.476 20 5 DEBDHM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1Nc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605426346 1070708065 /nfs/dbraw/zinc/70/80/65/1070708065.db2.gz IQWMGOWTHMXEJL-HGIWHZBTSA-N -1 3 318.312 2.370 20 5 DEBDHM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1Nc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605426346 1070708073 /nfs/dbraw/zinc/70/80/73/1070708073.db2.gz IQWMGOWTHMXEJL-HGIWHZBTSA-N -1 3 318.312 2.370 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1Nc1ccc(F)cc1 ZINC001607078494 1071287799 /nfs/dbraw/zinc/28/77/99/1071287799.db2.gz CUPRWNLRIOEVLW-UHFFFAOYSA-N -1 3 301.241 2.053 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1Nc1ccc(F)cc1 ZINC001607078494 1071287804 /nfs/dbraw/zinc/28/78/04/1071287804.db2.gz CUPRWNLRIOEVLW-UHFFFAOYSA-N -1 3 301.241 2.053 20 5 DEBDHM O=[N+]([O-])c1cc(NCC[C@@H]2CCCS2)ccc1-c1nnn[n-]1 ZINC001607078932 1071288563 /nfs/dbraw/zinc/28/85/63/1071288563.db2.gz CCASLHFNYGUKQU-JTQLQIEISA-N -1 3 320.378 2.473 20 5 DEBDHM O=[N+]([O-])c1cnc(N[C@@H]2CCc3ccccc32)c(-c2nnn[n-]2)c1 ZINC001607085750 1071292549 /nfs/dbraw/zinc/29/25/49/1071292549.db2.gz MLTTWHZGRAMHCZ-CYBMUJFWSA-N -1 3 323.316 2.269 20 5 DEBDHM O=[N+]([O-])c1cnc(N[C@@H]2CCc3ccccc32)c(-c2nn[n-]n2)c1 ZINC001607085750 1071292552 /nfs/dbraw/zinc/29/25/52/1071292552.db2.gz MLTTWHZGRAMHCZ-CYBMUJFWSA-N -1 3 323.316 2.269 20 5 DEBDHM CCOC(=O)c1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])o1 ZINC001458222843 1058050885 /nfs/dbraw/zinc/05/08/85/1058050885.db2.gz UTZDWCQLKDJWAD-UHFFFAOYSA-N -1 3 307.262 2.077 20 5 DEBDHM O=[N+]([O-])c1cc(Cl)ccc1N1CCC(c2nnn[n-]2)CC1 ZINC001458548921 1058069715 /nfs/dbraw/zinc/06/97/15/1058069715.db2.gz OAJSYQZGPKSOHX-UHFFFAOYSA-N -1 3 308.729 2.145 20 5 DEBDHM O=[N+]([O-])c1cc(Cl)ccc1N1CCC(c2nn[n-]n2)CC1 ZINC001458548921 1058069719 /nfs/dbraw/zinc/06/97/19/1058069719.db2.gz OAJSYQZGPKSOHX-UHFFFAOYSA-N -1 3 308.729 2.145 20 5 DEBDHM COc1cc(C(=O)[N-]c2nccc3cc([N+](=O)[O-])ccc32)on1 ZINC001461451207 1058663497 /nfs/dbraw/zinc/66/34/97/1058663497.db2.gz MAQSVYNFUJWVON-UHFFFAOYSA-N -1 3 314.257 2.392 20 5 DEBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCCCC[C@@H]2CCO)c1 ZINC001610841396 1078084810 /nfs/dbraw/zinc/08/48/10/1078084810.db2.gz BMTPBSRPZAWGCR-CQSZACIVSA-N -1 3 322.361 2.420 20 5 DEBDHM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2noc3c2CCCC3)n1 ZINC001617326594 1078142482 /nfs/dbraw/zinc/14/24/82/1078142482.db2.gz UEQLEWNCGROHIP-UHFFFAOYSA-N -1 3 302.290 2.417 20 5 DEBDHM COc1cc([N+](=O)[O-])cnc1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC001624944060 1078233945 /nfs/dbraw/zinc/23/39/45/1078233945.db2.gz NENBFZHQNFRVIW-UHFFFAOYSA-N -1 3 324.274 2.220 20 5 DEBDHM COc1cccc([O-])c1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001628097505 1078289652 /nfs/dbraw/zinc/28/96/52/1078289652.db2.gz FRYGGMNMQZCERS-UHFFFAOYSA-N -1 3 302.286 2.239 20 5 DEBDHM O=c1[n-]ccc(NC[C@H](O)c2ccccc2Cl)c1[N+](=O)[O-] ZINC001642289615 1078749249 /nfs/dbraw/zinc/74/92/49/1078749249.db2.gz WYDBFEBCGLATNA-NSHDSACASA-N -1 3 309.709 2.494 20 5 DEBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CC=CCC2)c(F)cc1[N+](=O)[O-] ZINC001561275651 1075152645 /nfs/dbraw/zinc/15/26/45/1075152645.db2.gz YSFUPATWUZXVLW-SNVBAGLBSA-N -1 3 314.338 2.429 20 5 DEBDHM CC(C)C[C@@H]1C[C@H]1Nc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001589658861 1076504510 /nfs/dbraw/zinc/50/45/10/1076504510.db2.gz STFSEVDQFJWMCB-PSASIEDQSA-N -1 3 317.353 2.204 20 5 DEBDHM CC(C)C[C@@H]1C[C@H]1Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001589658861 1076504515 /nfs/dbraw/zinc/50/45/15/1076504515.db2.gz STFSEVDQFJWMCB-PSASIEDQSA-N -1 3 317.353 2.204 20 5 DEBDHM C[C@H](Cc1ccco1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589902484 1076526536 /nfs/dbraw/zinc/52/65/36/1076526536.db2.gz GAYDQFURLINJSQ-SECBINFHSA-N -1 3 314.305 2.411 20 5 DEBDHM C[C@H](Cc1ccco1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589902484 1076526539 /nfs/dbraw/zinc/52/65/39/1076526539.db2.gz GAYDQFURLINJSQ-SECBINFHSA-N -1 3 314.305 2.411 20 5 DEBDHM CC1(C)CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H]1C1CC1 ZINC001590106136 1076565887 /nfs/dbraw/zinc/56/58/87/1076565887.db2.gz NZMAUXDFDCTTDZ-CYBMUJFWSA-N -1 3 314.349 2.400 20 5 DEBDHM CC1(C)CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@@H]1C1CC1 ZINC001590106136 1076565892 /nfs/dbraw/zinc/56/58/92/1076565892.db2.gz NZMAUXDFDCTTDZ-CYBMUJFWSA-N -1 3 314.349 2.400 20 5 DEBDHM CC1(CC(F)F)CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001590123465 1076568838 /nfs/dbraw/zinc/56/88/38/1076568838.db2.gz ODGPHPYGQJTHGM-UHFFFAOYSA-N -1 3 324.291 2.256 20 5 DEBDHM C[C@@]1(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCCS1 ZINC001590133809 1076570310 /nfs/dbraw/zinc/57/03/10/1076570310.db2.gz GYMYTZCJOJWEHN-ZDUSSCGKSA-N -1 3 320.378 2.473 20 5 DEBDHM C[C@@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)[C@H](C)O1 ZINC001590193746 1076581562 /nfs/dbraw/zinc/58/15/62/1076581562.db2.gz TUIDRVWRUPSFEN-KXUCPTDWSA-N -1 3 318.337 2.000 20 5 DEBDHM CN(C[C@@H]1CC1(C)C)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591053997 1076707120 /nfs/dbraw/zinc/70/71/20/1076707120.db2.gz ZUEKYNFQXHFATO-JTQLQIEISA-N -1 3 302.338 2.257 20 5 DEBDHM CN(C[C@@H]1CC1(C)C)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591053997 1076707122 /nfs/dbraw/zinc/70/71/22/1076707122.db2.gz ZUEKYNFQXHFATO-JTQLQIEISA-N -1 3 302.338 2.257 20 5 DEBDHM CO[C@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C(C)(C)C ZINC001591329578 1076724237 /nfs/dbraw/zinc/72/42/37/1076724237.db2.gz FTDFWBIITGUQSJ-LLVKDONJSA-N -1 3 320.353 2.248 20 5 DEBDHM CO[C@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C(C)(C)C ZINC001591329578 1076724238 /nfs/dbraw/zinc/72/42/38/1076724238.db2.gz FTDFWBIITGUQSJ-LLVKDONJSA-N -1 3 320.353 2.248 20 5 DEBDHM COCC(C)(C)CCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591369505 1076734662 /nfs/dbraw/zinc/73/46/62/1076734662.db2.gz OQZXGWIVHLSHOP-UHFFFAOYSA-N -1 3 320.353 2.250 20 5 DEBDHM CSCCCSc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591699304 1076775617 /nfs/dbraw/zinc/77/56/17/1076775617.db2.gz GNGWPHSXOZHKNF-UHFFFAOYSA-N -1 3 312.380 2.015 20 5 DEBDHM Cc1ccc(CNc2ccc(-c3nnn[n-]3)nc2)cc1[N+](=O)[O-] ZINC001592167041 1076865047 /nfs/dbraw/zinc/86/50/47/1076865047.db2.gz VYGREMAXGCBZQT-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1ccc(CNc2ccc(-c3nn[n-]n3)nc2)cc1[N+](=O)[O-] ZINC001592167041 1076865052 /nfs/dbraw/zinc/86/50/52/1076865052.db2.gz VYGREMAXGCBZQT-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1nnc(Sc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])s1 ZINC001592450168 1076914244 /nfs/dbraw/zinc/91/42/44/1076914244.db2.gz QCQGMZUWSVIXHZ-UHFFFAOYSA-N -1 3 321.347 2.086 20 5 DEBDHM Cc1nnc(Sc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])s1 ZINC001592450168 1076914250 /nfs/dbraw/zinc/91/42/50/1076914250.db2.gz QCQGMZUWSVIXHZ-UHFFFAOYSA-N -1 3 321.347 2.086 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CC2(C1)CCCC2 ZINC001593482042 1077009881 /nfs/dbraw/zinc/00/98/81/1077009881.db2.gz WBRSNXXEVYMSSE-UHFFFAOYSA-N -1 3 300.322 2.155 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CC2(C1)CCCC2 ZINC001593482042 1077009886 /nfs/dbraw/zinc/00/98/86/1077009886.db2.gz WBRSNXXEVYMSSE-UHFFFAOYSA-N -1 3 300.322 2.155 20 5 DEBDHM O=[N+]([O-])c1ccc(NCCc2ccoc2)c(-c2nnn[n-]2)c1 ZINC001593478937 1077010086 /nfs/dbraw/zinc/01/00/86/1077010086.db2.gz RIOPPTSDEFOYSN-UHFFFAOYSA-N -1 3 300.278 2.023 20 5 DEBDHM O=[N+]([O-])c1ccc(NCCc2ccoc2)c(-c2nn[n-]n2)c1 ZINC001593478937 1077010088 /nfs/dbraw/zinc/01/00/88/1077010088.db2.gz RIOPPTSDEFOYSN-UHFFFAOYSA-N -1 3 300.278 2.023 20 5 DEBDHM O=[N+]([O-])c1ccc(OCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC001593482845 1077010400 /nfs/dbraw/zinc/01/04/00/1077010400.db2.gz YMFIENXPWFIGBO-UHFFFAOYSA-N -1 3 315.264 2.493 20 5 DEBDHM O=[N+]([O-])c1ccc(OCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC001593482845 1077010405 /nfs/dbraw/zinc/01/04/05/1077010405.db2.gz YMFIENXPWFIGBO-UHFFFAOYSA-N -1 3 315.264 2.493 20 5 DEBDHM O=C([O-])C1(NCc2c(F)cc([N+](=O)[O-])cc2F)CCCC1 ZINC001601720780 1077440189 /nfs/dbraw/zinc/44/01/89/1077440189.db2.gz RIMZYLXGBATCBD-UHFFFAOYSA-N -1 3 300.261 2.360 20 5 DEBDHM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H]2CCN2C2CCCC2)n1 ZINC001608915191 1077720113 /nfs/dbraw/zinc/72/01/13/1077720113.db2.gz IWPDYKPBJPKLFR-LLVKDONJSA-N -1 3 320.349 2.117 20 5 DEBDHM CC(C)[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609090949 1077758550 /nfs/dbraw/zinc/75/85/50/1077758550.db2.gz AVUYYVVTWUIZNC-LLVKDONJSA-N -1 3 302.338 2.400 20 5 DEBDHM CC(C)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609090949 1077758554 /nfs/dbraw/zinc/75/85/54/1077758554.db2.gz AVUYYVVTWUIZNC-LLVKDONJSA-N -1 3 302.338 2.400 20 5 DEBDHM CC(C)[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609091364 1077758808 /nfs/dbraw/zinc/75/88/08/1077758808.db2.gz JUPUDWZABFYNAE-LBPRGKRZSA-N -1 3 302.338 2.400 20 5 DEBDHM C[C@@H](Cc1ccco1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609115776 1077764884 /nfs/dbraw/zinc/76/48/84/1077764884.db2.gz KTGQZCPSIHLSTM-VIFPVBQESA-N -1 3 314.305 2.411 20 5 DEBDHM C[C@@H](Cc1ccco1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609115776 1077764888 /nfs/dbraw/zinc/76/48/88/1077764888.db2.gz KTGQZCPSIHLSTM-VIFPVBQESA-N -1 3 314.305 2.411 20 5 DEBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)cn1)c1cccc([N+](=O)[O-])c1 ZINC001609126283 1077768127 /nfs/dbraw/zinc/76/81/27/1077768127.db2.gz NDFLINYLNXQQLI-VIFPVBQESA-N -1 3 311.305 2.343 20 5 DEBDHM C[C@H](Nc1ccc(-c2nn[n-]n2)cn1)c1cccc([N+](=O)[O-])c1 ZINC001609126283 1077768132 /nfs/dbraw/zinc/76/81/32/1077768132.db2.gz NDFLINYLNXQQLI-VIFPVBQESA-N -1 3 311.305 2.343 20 5 DEBDHM COC1CCC(Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC001609313636 1077830354 /nfs/dbraw/zinc/83/03/54/1077830354.db2.gz OPJWHPOXUHYUBQ-UHFFFAOYSA-N -1 3 318.337 2.144 20 5 DEBDHM Cc1cccc(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])n1 ZINC001609431412 1077858300 /nfs/dbraw/zinc/85/83/00/1077858300.db2.gz FPZZPAODVVCPDP-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1cccc(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])n1 ZINC001609431412 1077858304 /nfs/dbraw/zinc/85/83/04/1077858304.db2.gz FPZZPAODVVCPDP-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1cncc(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])c1 ZINC001609440689 1077860300 /nfs/dbraw/zinc/86/03/00/1077860300.db2.gz HUGSIXUHLYMHBZ-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1cncc(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])c1 ZINC001609440689 1077860301 /nfs/dbraw/zinc/86/03/01/1077860301.db2.gz HUGSIXUHLYMHBZ-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1coc(Sc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC001609442150 1077860642 /nfs/dbraw/zinc/86/06/42/1077860642.db2.gz SQSYPHYQDRWZNS-UHFFFAOYSA-N -1 3 304.291 2.223 20 5 DEBDHM Cc1coc(Sc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC001609442150 1077860643 /nfs/dbraw/zinc/86/06/43/1077860643.db2.gz SQSYPHYQDRWZNS-UHFFFAOYSA-N -1 3 304.291 2.223 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1SC[C@H]1CCCO1 ZINC001609600430 1077881139 /nfs/dbraw/zinc/88/11/39/1077881139.db2.gz IXZUBMJXURZILH-SECBINFHSA-N -1 3 307.335 2.046 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1SC[C@H]1CCCO1 ZINC001609600430 1077881143 /nfs/dbraw/zinc/88/11/43/1077881143.db2.gz IXZUBMJXURZILH-SECBINFHSA-N -1 3 307.335 2.046 20 5 DEBDHM O=[N+]([O-])c1cc(N2CC3(C2)CC(F)(F)C3)ccc1-c1nnn[n-]1 ZINC001609600833 1077881538 /nfs/dbraw/zinc/88/15/38/1077881538.db2.gz GLYJGLFJZVLSEX-UHFFFAOYSA-N -1 3 322.275 2.010 20 5 DEBDHM Cc1nc2c(c(=O)[n-]1)CN(c1ccc3cnccc3c1[N+](=O)[O-])C2 ZINC001652098242 1079851143 /nfs/dbraw/zinc/85/11/43/1079851143.db2.gz JAEOUQKWJQMQRU-UHFFFAOYSA-N -1 3 323.312 2.467 20 5 DEBDHM O=c1[nH][n-]cc1CCCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC001655717378 1080013396 /nfs/dbraw/zinc/01/33/96/1080013396.db2.gz FEMKDKIVBIOEFQ-SNVBAGLBSA-N -1 3 313.317 2.067 20 5 DEBDHM CCn1nc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1C1CC1 ZINC000278213939 214027453 /nfs/dbraw/zinc/02/74/53/214027453.db2.gz RJXVGZRDWGVZPL-UHFFFAOYSA-N -1 3 317.305 2.042 20 5 DEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C2(C3CC3)CC2)c1[N+](=O)[O-] ZINC000616424341 362853952 /nfs/dbraw/zinc/85/39/52/362853952.db2.gz UIHYDEQVSKCEGK-UHFFFAOYSA-N -1 3 310.375 2.433 20 5 DEBDHM COc1ccc(S(=O)(=O)[N-]CC2CCCC2)c([N+](=O)[O-])c1 ZINC000026847472 354086537 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645429207 /nfs/dbraw/zinc/42/92/07/645429207.db2.gz WGUFRPXDHNZETR-DWMUBGRBSA-N -1 3 317.345 2.341 20 5 DEBDHM Cc1cc(=O)[n-]c(C=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC000806574111 645847168 /nfs/dbraw/zinc/84/71/68/645847168.db2.gz CMSKRQLIUZXOIS-HWKANZROSA-N -1 3 302.246 2.477 20 5 DEBDHM COC(=O)c1cc(C(=O)OCc2ccccc2[N+](=O)[O-])c[n-]1 ZINC000814532353 646902560 /nfs/dbraw/zinc/90/25/60/646902560.db2.gz UIHCFPPZXXXHAB-UHFFFAOYSA-N -1 3 304.258 2.067 20 5 DEBDHM O=C1[N-]C(=O)/C(=C\c2csc([N+](=O)[O-])c2)c2ccccc21 ZINC000917143622 647976148 /nfs/dbraw/zinc/97/61/48/647976148.db2.gz NNIJQLQVZDGGAV-WZUFQYTHSA-N -1 3 300.295 2.467 20 5 DEBDHM Cc1c(CC(=O)[N-]OCc2cccnc2)cccc1[N+](=O)[O-] ZINC000134154833 684226065 /nfs/dbraw/zinc/22/60/65/684226065.db2.gz QBZFYMMBVKBELZ-UHFFFAOYSA-N -1 3 301.302 2.089 20 5 DEBDHM Cc1csc([C@@H]2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)n1 ZINC000872736605 689079406 /nfs/dbraw/zinc/07/94/06/689079406.db2.gz ILGDHWLGQGQIBX-SECBINFHSA-N -1 3 306.347 2.454 20 5 DEBDHM CC(C)(C)C(=O)N[C@H]1C[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001068487068 788657513 /nfs/dbraw/zinc/65/75/13/788657513.db2.gz XYQJGCJXTRLNAC-MGCOHNPYSA-N -1 3 322.365 2.048 20 5 DEBDHM Nc1ccc(S(=O)(=O)[N-]c2ccc(/C=C/[N+](=O)[O-])cc2)cc1 ZINC001175902373 794312883 /nfs/dbraw/zinc/31/28/83/794312883.db2.gz FZJJGEFERHTNBO-MDZDMXLPSA-N -1 3 319.342 2.317 20 5 DEBDHM CCc1[nH]nc(C(=O)Nc2cccc(CC)c2[O-])c1[N+](=O)[O-] ZINC001179608918 795142996 /nfs/dbraw/zinc/14/29/96/795142996.db2.gz HWEGTPLMVRBXIK-UHFFFAOYSA-N -1 3 304.306 2.401 20 5 DEBDHM C=C=CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001191934939 797287595 /nfs/dbraw/zinc/28/75/95/797287595.db2.gz BIZDHAULQUTZRT-UHFFFAOYSA-N -1 3 322.264 2.233 20 5 DEBDHM CCOCCO[N-]C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000935454348 800666600 /nfs/dbraw/zinc/66/66/00/800666600.db2.gz LXLDRDOLKCQICC-UHFFFAOYSA-N -1 3 316.741 2.265 20 5 DEBDHM O=[N+]([O-])C[C@H](Oc1cc(O)cc([O-])c1Br)C1CC1 ZINC001229096794 801223292 /nfs/dbraw/zinc/22/32/92/801223292.db2.gz JSXHODYRDCURHN-JTQLQIEISA-N -1 3 318.123 2.294 20 5 DEBDHM O=c1cc(Nc2c(F)ccc([N+](=O)[O-])c2F)[nH]c(=S)[n-]1 ZINC001215287027 801830446 /nfs/dbraw/zinc/83/04/46/801830446.db2.gz DHPOXMRBASGILQ-UHFFFAOYSA-N -1 3 300.246 2.401 20 5 DEBDHM CCOC(=O)[C@H]1CC[C@@H](Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])C1 ZINC001228688645 803395372 /nfs/dbraw/zinc/39/53/72/803395372.db2.gz LYRDZIJJIOLQKM-VHSXEESVSA-N -1 3 310.306 2.114 20 5 DEBDHM COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](CC(=O)[O-])C1 ZINC001611037584 970860809 /nfs/dbraw/zinc/86/08/09/970860809.db2.gz DBRYTOKVAWPNJA-NSHDSACASA-N -1 3 308.334 2.290 20 5 DEBDHM CC(C)[C@H]1CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001603246095 1069919806 /nfs/dbraw/zinc/91/98/06/1069919806.db2.gz PWCBRBXLMBVEFI-NSHDSACASA-N -1 3 302.338 2.257 20 5 DEBDHM CC(C)[C@H]1CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001603246095 1069919813 /nfs/dbraw/zinc/91/98/13/1069919813.db2.gz PWCBRBXLMBVEFI-NSHDSACASA-N -1 3 302.338 2.257 20 5 DEBDHM C[C@@H]1CCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C[C@@H]1C ZINC001603911449 1070147186 /nfs/dbraw/zinc/14/71/86/1070147186.db2.gz NZYLTBQWYNHEFP-ZJUUUORDSA-N -1 3 302.338 2.257 20 5 DEBDHM C[C@@H]1CCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C[C@@H]1C ZINC001603911449 1070147189 /nfs/dbraw/zinc/14/71/89/1070147189.db2.gz NZYLTBQWYNHEFP-ZJUUUORDSA-N -1 3 302.338 2.257 20 5 DEBDHM CCC[C@H](CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)OCC ZINC001604144659 1070242884 /nfs/dbraw/zinc/24/28/84/1070242884.db2.gz RXXXLLGMPAJEAR-LLVKDONJSA-N -1 3 320.353 2.392 20 5 DEBDHM COCC1(Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCCC1 ZINC001605068034 1070602248 /nfs/dbraw/zinc/60/22/48/1070602248.db2.gz OSMUVURIGPZLFV-UHFFFAOYSA-N -1 3 318.337 2.146 20 5 DEBDHM CSC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001605377640 1070694604 /nfs/dbraw/zinc/69/46/04/1070694604.db2.gz YEBALMGLFUGUQU-JTQLQIEISA-N -1 3 320.378 2.107 20 5 DEBDHM Cc1cc(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])ccn1 ZINC001605661258 1070811089 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2.154 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC(C1CC1)C1CC1 ZINC001607083823 1071293412 /nfs/dbraw/zinc/29/34/12/1071293412.db2.gz NXWNUYSOWAAMMI-UHFFFAOYSA-N -1 3 300.322 2.375 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC(C1CC1)C1CC1 ZINC001607083823 1071293418 /nfs/dbraw/zinc/29/34/18/1071293418.db2.gz NXWNUYSOWAAMMI-UHFFFAOYSA-N -1 3 300.322 2.375 20 5 DEBDHM Cc1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc(O)c1C ZINC001457989942 1058039973 /nfs/dbraw/zinc/03/99/73/1058039973.db2.gz CBVBJFOQGNQSLC-UHFFFAOYSA-N -1 3 303.274 2.270 20 5 DEBDHM COC(=O)Nc1cccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001458362173 1058058594 /nfs/dbraw/zinc/05/85/94/1058058594.db2.gz IGRAULPZKMNRHY-UHFFFAOYSA-N -1 3 318.289 2.486 20 5 DEBDHM O=c1[n-]ccc(N[C@H]2COc3cc(F)ccc3C2)c1[N+](=O)[O-] ZINC001458499579 1058066913 /nfs/dbraw/zinc/06/69/13/1058066913.db2.gz VOPYEDPBCHZSPU-SNVBAGLBSA-N -1 3 305.265 2.250 20 5 DEBDHM O=c1[n-]ccc(NCC[S@@](=O)Cc2ccccc2)c1[N+](=O)[O-] ZINC001611948005 1078106606 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C[C@@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])CC(F)F ZINC001589876610 1076523271 /nfs/dbraw/zinc/52/32/71/1076523271.db2.gz HHUQQNWFCRWDCW-SSDOTTSWSA-N -1 3 312.280 2.478 20 5 DEBDHM CC1(C)CC(CNc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001590079835 1076558297 /nfs/dbraw/zinc/55/82/97/1076558297.db2.gz KXFHFGCUJVWJNB-UHFFFAOYSA-N -1 3 317.353 2.205 20 5 DEBDHM CC1(C)CC(CNc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001590079835 1076558300 /nfs/dbraw/zinc/55/83/00/1076558300.db2.gz KXFHFGCUJVWJNB-UHFFFAOYSA-N -1 3 317.353 2.205 20 5 DEBDHM CC1(C)CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590090885 1076560237 /nfs/dbraw/zinc/56/02/37/1076560237.db2.gz UBWHIQBHIDFPPY-VIFPVBQESA-N -1 3 303.326 2.161 20 5 DEBDHM CC1(C)CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590090885 1076560238 /nfs/dbraw/zinc/56/02/38/1076560238.db2.gz UBWHIQBHIDFPPY-VIFPVBQESA-N -1 3 303.326 2.161 20 5 DEBDHM CC1(C)CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590095189 1076562652 /nfs/dbraw/zinc/56/26/52/1076562652.db2.gz IYDHLGKURUJMHJ-SECBINFHSA-N -1 3 317.353 2.408 20 5 DEBDHM CC1(C)CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590095189 1076562653 /nfs/dbraw/zinc/56/26/53/1076562653.db2.gz IYDHLGKURUJMHJ-SECBINFHSA-N -1 3 317.353 2.408 20 5 DEBDHM CC1(CSCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])COC1 ZINC001590139819 1076573379 /nfs/dbraw/zinc/57/33/79/1076573379.db2.gz MUPRYCYYKYARAB-UHFFFAOYSA-N -1 3 321.362 2.045 20 5 DEBDHM CC1(CSCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])COC1 ZINC001590139819 1076573382 /nfs/dbraw/zinc/57/33/82/1076573382.db2.gz MUPRYCYYKYARAB-UHFFFAOYSA-N -1 3 321.362 2.045 20 5 DEBDHM C[C@H]1C[C@@H](Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CS1 ZINC001590207099 1076582968 /nfs/dbraw/zinc/58/29/68/1076582968.db2.gz OFQNICIDCQHMRN-NKWVEPMBSA-N -1 3 324.341 2.220 20 5 DEBDHM C[C@H]1C[C@@H](Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CS1 ZINC001590207099 1076582971 /nfs/dbraw/zinc/58/29/71/1076582971.db2.gz OFQNICIDCQHMRN-NKWVEPMBSA-N -1 3 324.341 2.220 20 5 DEBDHM C[C@@H]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001590242651 1076596124 /nfs/dbraw/zinc/59/61/24/1076596124.db2.gz LJYLJXXDEFYIGF-ZJUUUORDSA-N -1 3 317.353 2.408 20 5 DEBDHM C[C@@H]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001590242651 1076596128 /nfs/dbraw/zinc/59/61/28/1076596128.db2.gz LJYLJXXDEFYIGF-ZJUUUORDSA-N -1 3 317.353 2.408 20 5 DEBDHM CC[C@@H](C)[C@@H](CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)OC ZINC001590399625 1076620674 /nfs/dbraw/zinc/62/06/74/1076620674.db2.gz JURFCIHMRRDCIY-NOZJJQNGSA-N -1 3 320.353 2.248 20 5 DEBDHM CCCC1(CNc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CC1 ZINC001590565644 1076654154 /nfs/dbraw/zinc/65/41/54/1076654154.db2.gz PHLKHRBJADFUDL-UHFFFAOYSA-N -1 3 317.353 2.349 20 5 DEBDHM CCCC1(CNc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CC1 ZINC001590565644 1076654158 /nfs/dbraw/zinc/65/41/58/1076654158.db2.gz PHLKHRBJADFUDL-UHFFFAOYSA-N -1 3 317.353 2.349 20 5 DEBDHM CSC(C)(C)CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591684804 1076771353 /nfs/dbraw/zinc/77/13/53/1076771353.db2.gz CQJQEFRNZZDTGR-UHFFFAOYSA-N -1 3 308.367 2.328 20 5 DEBDHM CSC(C)(C)CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591684804 1076771356 /nfs/dbraw/zinc/77/13/56/1076771356.db2.gz CQJQEFRNZZDTGR-UHFFFAOYSA-N -1 3 308.367 2.328 20 5 DEBDHM CS[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001591702768 1076776767 /nfs/dbraw/zinc/77/67/67/1076776767.db2.gz WNYVEYFIAQVKQX-KYZUINATSA-N -1 3 306.351 2.081 20 5 DEBDHM CS[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001591702768 1076776768 /nfs/dbraw/zinc/77/67/68/1076776768.db2.gz WNYVEYFIAQVKQX-KYZUINATSA-N -1 3 306.351 2.081 20 5 DEBDHM Cc1cc(NCc2ccccn2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592052979 1076839125 /nfs/dbraw/zinc/83/91/25/1076839125.db2.gz FYGINPWTPVNVGP-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1cc(NCc2ccccn2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592052979 1076839128 /nfs/dbraw/zinc/83/91/28/1076839128.db2.gz FYGINPWTPVNVGP-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1ccncc1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001592276427 1076888934 /nfs/dbraw/zinc/88/89/34/1076888934.db2.gz GQUSHOFLWSKLKI-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1ccncc1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001592276427 1076888939 /nfs/dbraw/zinc/88/89/39/1076888939.db2.gz GQUSHOFLWSKLKI-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM O=[N+]([O-])c1cc(COc2cccc(-c3nnn[n-]3)c2)cs1 ZINC001593473219 1077006935 /nfs/dbraw/zinc/00/69/35/1077006935.db2.gz QQURKTKWTXYDSP-UHFFFAOYSA-N -1 3 303.303 2.415 20 5 DEBDHM O=[N+]([O-])c1cc(COc2cccc(-c3nn[n-]n3)c2)cs1 ZINC001593473219 1077006941 /nfs/dbraw/zinc/00/69/41/1077006941.db2.gz QQURKTKWTXYDSP-UHFFFAOYSA-N -1 3 303.303 2.415 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NC[C@H]1CCCC12CC2 ZINC001593471003 1077007375 /nfs/dbraw/zinc/00/73/75/1077007375.db2.gz LMIDLSHLIIDMQZ-SNVBAGLBSA-N -1 3 315.337 2.162 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NC[C@H]1CCCC12CC2 ZINC001593471003 1077007379 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DEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1Cc2ccc(O)cc2C1 ZINC001593475388 1077008785 /nfs/dbraw/zinc/00/87/85/1077008785.db2.gz OWOSMYLZEXYRIX-UHFFFAOYSA-N -1 3 324.300 2.001 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCCC(F)(F)C1 ZINC001593474150 1077009084 /nfs/dbraw/zinc/00/90/84/1077009084.db2.gz GHEOYEKDRPJVOF-UHFFFAOYSA-N -1 3 310.264 2.010 20 5 DEBDHM O=[N+]([O-])c1cc(N2C[C@@H]3CCCC[C@@H]3C2)ccc1-c1nnn[n-]1 ZINC001593474539 1077009052 /nfs/dbraw/zinc/00/90/52/1077009052.db2.gz SBHRBQDXVMCOIL-PHIMTYICSA-N -1 3 314.349 2.401 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCCC(F)(F)C1 ZINC001593474150 1077009080 /nfs/dbraw/zinc/00/90/80/1077009080.db2.gz GHEOYEKDRPJVOF-UHFFFAOYSA-N -1 3 310.264 2.010 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CN1CCC=C(Cl)C1 ZINC001593480516 1077009615 /nfs/dbraw/zinc/00/96/15/1077009615.db2.gz AYYQQDGLRZUNRV-UHFFFAOYSA-N -1 3 320.740 2.103 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CN1CCC=C(Cl)C1 ZINC001593480516 1077009617 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Cc1sc(S(=O)(=O)[N-][C@H]2CCS[C@@H]2C)cc1[N+](=O)[O-] ZINC000592109864 357832697 /nfs/dbraw/zinc/83/26/97/357832697.db2.gz FSQAYMZTICMRMD-SVRRBLITSA-N -1 3 322.433 2.137 20 5 DEBDHM O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1[O-] ZINC000594417270 358263084 /nfs/dbraw/zinc/26/30/84/358263084.db2.gz BKWSEULROUMHHW-STQMWFEESA-N -1 3 319.361 2.047 20 5 DEBDHM O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1cc([N+](=O)[O-])ccc1[O-] ZINC000594419746 358263954 /nfs/dbraw/zinc/26/39/54/358263954.db2.gz QXRYQVGORPQYPK-KBPBESRZSA-N -1 3 319.361 2.047 20 5 DEBDHM O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1[O-] ZINC000594420460 358264438 /nfs/dbraw/zinc/26/44/38/358264438.db2.gz UVSDBHRJDFGMNW-KGLIPLIRSA-N -1 3 319.361 2.047 20 5 DEBDHM COc1cc(CN2CC[C@H](C(=O)[O-])[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000595279665 358411912 /nfs/dbraw/zinc/41/19/12/358411912.db2.gz UWEHIMRMILLSCP-PWSUYJOCSA-N -1 3 308.334 2.146 20 5 DEBDHM CCCOc1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cn1 ZINC000596121059 358616221 /nfs/dbraw/zinc/61/62/21/358616221.db2.gz JMMWAQHAMQDWNC-UHFFFAOYSA-N -1 3 304.306 2.491 20 5 DEBDHM O=c1[n-]ccc(NCC[C@H]2COc3ccccc3O2)c1[N+](=O)[O-] ZINC000596169720 358628895 /nfs/dbraw/zinc/62/88/95/358628895.db2.gz UHLMLAFXDKDMBZ-JTQLQIEISA-N -1 3 317.301 2.337 20 5 DEBDHM CCCCn1c(=O)[n-]nc1SCc1onc(C)c1[N+](=O)[O-] ZINC000596015781 358593809 /nfs/dbraw/zinc/59/38/09/358593809.db2.gz CTTLOCVWHUSGEY-UHFFFAOYSA-N -1 3 313.339 2.281 20 5 DEBDHM C[C@@H](CN1CCC(C)CC1)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000598265982 359142211 /nfs/dbraw/zinc/14/22/11/359142211.db2.gz XLVCKFXHFSTWOG-LBPRGKRZSA-N -1 3 321.377 2.151 20 5 DEBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[N-]OC[C@H]1CCOC1 ZINC000189718041 200442075 /nfs/dbraw/zinc/44/20/75/200442075.db2.gz NAXYGUJFEAODQO-NSHDSACASA-N -1 3 309.322 2.301 20 5 DEBDHM CCc1ccc([N+](=O)[O-])cc1NC(=O)[N-]OC[C@@H]1CCOC1 ZINC000289905854 221305842 /nfs/dbraw/zinc/30/58/42/221305842.db2.gz USLNUTHOZMFFLQ-SNVBAGLBSA-N -1 3 309.322 2.247 20 5 DEBDHM Cc1sc(S(=O)(=O)[N-]C2(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000546640922 285507933 /nfs/dbraw/zinc/50/79/33/285507933.db2.gz ANFRERCXOGGJHC-UHFFFAOYSA-N -1 3 302.377 2.186 20 5 DEBDHM Cc1cccnc1C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000355388434 133023274 /nfs/dbraw/zinc/02/32/74/133023274.db2.gz AWIUQRKWNRTHIX-UHFFFAOYSA-N -1 3 321.358 2.085 20 5 DEBDHM C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000360351492 133177316 /nfs/dbraw/zinc/17/73/16/133177316.db2.gz HYTWPACJTMOCTJ-NXEZZACHSA-N -1 3 316.354 2.448 20 5 DEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](F)C2)c(Cl)c1 ZINC000344918553 296508966 /nfs/dbraw/zinc/50/89/66/296508966.db2.gz RPJRRUIEILKMLC-JGVFFNPUSA-N -1 3 322.745 2.417 20 5 DEBDHM C[C@H]1CCCN(CCNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000565037329 292129046 /nfs/dbraw/zinc/12/90/46/292129046.db2.gz MBBNIKUFHNQLLV-LBPRGKRZSA-N -1 3 321.377 2.366 20 5 DEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccc(O)cc1 ZINC000318292192 145367921 /nfs/dbraw/zinc/36/79/21/145367921.db2.gz MIRYHBZOWZGOLF-UHFFFAOYSA-N -1 3 322.342 2.087 20 5 DEBDHM Cc1ccc([N+](=O)[O-])c([N-]c2cnn(C[C@H]3CCCO3)c2)n1 ZINC000371980851 148157875 /nfs/dbraw/zinc/15/78/75/148157875.db2.gz STCFNUGYZXWUHQ-GFCCVEGCSA-N -1 3 303.322 2.417 20 5 DEBDHM COC(=O)c1cc([N-]C(=O)c2oc(C)nc2C)cc([N+](=O)[O-])c1 ZINC000073817202 401722392 /nfs/dbraw/zinc/72/23/92/401722392.db2.gz FGBFSPCFYQCEDG-UHFFFAOYSA-N -1 3 319.273 2.239 20 5 DEBDHM CCc1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)n(C)n1 ZINC000116219426 401845823 /nfs/dbraw/zinc/84/58/23/401845823.db2.gz LVKLZNDEJVFXDF-UHFFFAOYSA-N -1 3 314.305 2.019 20 5 DEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1CCCS1 ZINC000152300954 402088083 /nfs/dbraw/zinc/08/80/83/402088083.db2.gz GMGKEZWNNUXTFX-SNVBAGLBSA-N -1 3 316.404 2.077 20 5 DEBDHM CN(C)CCn1cc([N-]c2ncc(Cl)cc2[N+](=O)[O-])cn1 ZINC000153648619 402160120 /nfs/dbraw/zinc/16/01/20/402160120.db2.gz UJXFCXGUTVOIJV-UHFFFAOYSA-N -1 3 310.745 2.145 20 5 DEBDHM 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DLSXMFJFMLMYEJ-UHFFFAOYSA-N -1 3 305.191 2.483 20 5 DEBDHM O=[N+]([O-])c1cccc(F)c1NCc1nc(C(F)(F)F)n[n-]1 ZINC000343006352 403427698 /nfs/dbraw/zinc/42/76/98/403427698.db2.gz DLSXMFJFMLMYEJ-UHFFFAOYSA-N -1 3 305.191 2.483 20 5 DEBDHM CC(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000298842869 403472956 /nfs/dbraw/zinc/47/29/56/403472956.db2.gz IFNIQCDUCAITIU-UHFFFAOYSA-N -1 3 323.168 2.044 20 5 DEBDHM CC(C)(C)n1cnc([N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2)n1 ZINC000344065741 403886222 /nfs/dbraw/zinc/88/62/22/403886222.db2.gz GMQKYUQJXRGZAR-UHFFFAOYSA-N -1 3 307.285 2.333 20 5 DEBDHM O=C(N[C@H]1CCN(C2CCCC2)C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000367513273 405070780 /nfs/dbraw/zinc/07/07/80/405070780.db2.gz KWQAILJGTQFBLK-NSHDSACASA-N -1 3 319.361 2.047 20 5 DEBDHM C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])N1CCC[C@H](C)C1 ZINC000436886846 405157949 /nfs/dbraw/zinc/15/79/49/405157949.db2.gz UOZJDTGYQYVHIA-RYUDHWBXSA-N -1 3 321.377 2.151 20 5 DEBDHM 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DEBDHM Cc1cnc([C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])o1 ZINC000826317503 609434732 /nfs/dbraw/zinc/43/47/32/609434732.db2.gz FKKLFOMDQRNIQG-MRVPVSSYSA-N -1 3 315.293 2.244 20 5 DEBDHM Cc1n[n-]c(C)c1S(=O)(=O)Oc1ccc(C)c([N+](=O)[O-])c1 ZINC000775479433 642049978 /nfs/dbraw/zinc/04/99/78/642049978.db2.gz YGJKAGMPVBMLLC-UHFFFAOYSA-N -1 3 311.319 2.011 20 5 DEBDHM Cc1n[n-]c(C)c1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1C ZINC000775479199 642050235 /nfs/dbraw/zinc/05/02/35/642050235.db2.gz UMLRIOIUWHCDBP-UHFFFAOYSA-N -1 3 311.319 2.011 20 5 DEBDHM COCCN(C/C=C/c1ccccc1[N+](=O)[O-])CCC(=O)[O-] ZINC000901664153 642746761 /nfs/dbraw/zinc/74/67/61/642746761.db2.gz QDFHYYXSUOKMPD-GQCTYLIASA-N -1 3 308.334 2.031 20 5 DEBDHM CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000902554355 643067619 /nfs/dbraw/zinc/06/76/19/643067619.db2.gz KVJRJZSKEPODLA-GUTXKFCHSA-N -1 3 320.345 2.146 20 5 DEBDHM Cc1ccc([N+](=O)[O-])c(OCCC(=O)[N-]OCC(F)(F)F)c1 ZINC000798333578 645001344 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O=C(Cc1cccc(F)c1[N+](=O)[O-])NCc1ccc([O-])c(F)c1 ZINC001150365746 793974171 /nfs/dbraw/zinc/97/41/71/793974171.db2.gz CXMBYFUEYNFKBV-UHFFFAOYSA-N -1 3 322.267 2.438 20 5 DEBDHM CC(=O)N1Cc2ccc(Nc3cc[n-]c(=O)c3[N+](=O)[O-])cc2C1 ZINC001185602691 796291318 /nfs/dbraw/zinc/29/13/18/796291318.db2.gz BKDHPHNXNQGNMY-UHFFFAOYSA-N -1 3 314.301 2.301 20 5 DEBDHM O=C(Nc1nccc2ccccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001140696530 796558776 /nfs/dbraw/zinc/55/87/76/796558776.db2.gz YLHZTKUXBRAVFS-UHFFFAOYSA-N -1 3 310.269 2.496 20 5 DEBDHM CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(=O)[n-]cn1 ZINC001141184266 796647485 /nfs/dbraw/zinc/64/74/85/796647485.db2.gz RCJXXICOKWUXMP-UHFFFAOYSA-N -1 3 317.305 2.163 20 5 DEBDHM O=[N+]([O-])c1cc([O-])cc(Nc2csc(N3CCOCC3)n2)c1 ZINC001199814705 798544059 /nfs/dbraw/zinc/54/40/59/798544059.db2.gz NMPKZRPQNPLBEZ-UHFFFAOYSA-N -1 3 322.346 2.337 20 5 DEBDHM O=C1COc2cccc(Nc3cc([O-])cc([N+](=O)[O-])c3)c2N1 ZINC001201222968 798727209 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DEBDHM O=[N+]([O-])c1ccc(Oc2cc(-c3nnn[n-]3)cnn2)cc1Cl ZINC001607081673 1071289934 /nfs/dbraw/zinc/28/99/34/1071289934.db2.gz HVKYRSDIRCBFNJ-UHFFFAOYSA-N -1 3 319.668 2.011 20 5 DEBDHM O=[N+]([O-])c1ccc(Oc2cc(-c3nn[n-]n3)cnn2)cc1Cl ZINC001607081673 1071289945 /nfs/dbraw/zinc/28/99/45/1071289945.db2.gz HVKYRSDIRCBFNJ-UHFFFAOYSA-N -1 3 319.668 2.011 20 5 DEBDHM O=[N+]([O-])c1cccc(COc2cc(F)cc(-c3nnn[n-]3)c2)c1 ZINC001607084574 1071292493 /nfs/dbraw/zinc/29/24/93/1071292493.db2.gz NLDBGXRSJAMCEB-UHFFFAOYSA-N -1 3 315.264 2.493 20 5 DEBDHM O=[N+]([O-])c1cccc(COc2cc(F)cc(-c3nn[n-]n3)c2)c1 ZINC001607084574 1071292504 /nfs/dbraw/zinc/29/25/04/1071292504.db2.gz NLDBGXRSJAMCEB-UHFFFAOYSA-N -1 3 315.264 2.493 20 5 DEBDHM COc1cc(CN(CCC(=O)[O-])C(C)C)c([N+](=O)[O-])cc1F ZINC001607157016 1071349505 /nfs/dbraw/zinc/34/95/05/1071349505.db2.gz CPLQXRQWRKKKOD-UHFFFAOYSA-N -1 3 314.313 2.428 20 5 DEBDHM CC(C)(C)OC(=O)NCCSc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001458642223 1058078242 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DEBDHM C[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CC1 ZINC001580445136 1075925345 /nfs/dbraw/zinc/92/53/45/1075925345.db2.gz QHWRGRBRAMKXCT-KYZUINATSA-N -1 3 317.353 2.348 20 5 DEBDHM C[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CC1 ZINC001580445136 1075925354 /nfs/dbraw/zinc/92/53/54/1075925354.db2.gz QHWRGRBRAMKXCT-KYZUINATSA-N -1 3 317.353 2.348 20 5 DEBDHM Nc1c([N+](=O)[O-])ccc(NC[C@H]2CC=CCC2)c1-c1nnn[n-]1 ZINC001581909783 1076109241 /nfs/dbraw/zinc/10/92/41/1076109241.db2.gz UYOFYSJYBSQPNL-VIFPVBQESA-N -1 3 315.337 2.125 20 5 DEBDHM Nc1c([N+](=O)[O-])ccc(NC[C@H]2CC=CCC2)c1-c1nn[n-]n1 ZINC001581909783 1076109246 /nfs/dbraw/zinc/10/92/46/1076109246.db2.gz UYOFYSJYBSQPNL-VIFPVBQESA-N -1 3 315.337 2.125 20 5 DEBDHM C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCS1 ZINC001590210542 1076584305 /nfs/dbraw/zinc/58/43/05/1076584305.db2.gz YAKXHMYZUWEBRV-IUCAKERBSA-N -1 3 320.378 2.471 20 5 DEBDHM C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCS1 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O=[N+]([O-])c1cc(NCC[C@H]2CCCCO2)ccc1-c1nnn[n-]1 ZINC001593473418 1077007428 /nfs/dbraw/zinc/00/74/28/1077007428.db2.gz BKLKEQRGDHBICR-LLVKDONJSA-N -1 3 318.337 2.146 20 5 DEBDHM O=[N+]([O-])c1cc(N[C@@H]2CCCSC2)ccc1-c1nnn[n-]1 ZINC001593473549 1077007708 /nfs/dbraw/zinc/00/77/08/1077007708.db2.gz HRAIGUOVVWDAQJ-SECBINFHSA-N -1 3 306.351 2.082 20 5 DEBDHM Cc1nn(CN2CC[C@H](C(=O)[O-])[C@@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC001600788296 1077270722 /nfs/dbraw/zinc/27/07/22/1077270722.db2.gz XHNCHBOYEUIAGL-GWCFXTLKSA-N -1 3 318.333 2.005 20 5 DEBDHM C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)CC(F)F ZINC001609114204 1077765877 /nfs/dbraw/zinc/76/58/77/1077765877.db2.gz ZMIHCYKCOAFVNA-ZETCQYMHSA-N -1 3 312.280 2.478 20 5 DEBDHM C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)CC(F)F ZINC001609114204 1077765879 /nfs/dbraw/zinc/76/58/79/1077765879.db2.gz ZMIHCYKCOAFVNA-ZETCQYMHSA-N -1 3 312.280 2.478 20 5 DEBDHM C[C@@H]1C[C@@H](CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCO1 ZINC001609156342 1077776347 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2.186 20 5 DEBDHM Cc1nnc(Sc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])s1 ZINC001609461626 1077864422 /nfs/dbraw/zinc/86/44/22/1077864422.db2.gz KIHQCDKFPDIEDW-UHFFFAOYSA-N -1 3 321.347 2.086 20 5 DEBDHM Cc1nnc(Sc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])s1 ZINC001609461626 1077864424 /nfs/dbraw/zinc/86/44/24/1077864424.db2.gz KIHQCDKFPDIEDW-UHFFFAOYSA-N -1 3 321.347 2.086 20 5 DEBDHM O=Cc1cccc(Oc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])c1 ZINC001609591486 1077879917 /nfs/dbraw/zinc/87/99/17/1077879917.db2.gz DOPBDAYTMKKEJP-UHFFFAOYSA-N -1 3 311.257 2.380 20 5 DEBDHM O=Cc1cccc(Oc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])c1 ZINC001609591486 1077879919 /nfs/dbraw/zinc/87/99/19/1077879919.db2.gz DOPBDAYTMKKEJP-UHFFFAOYSA-N -1 3 311.257 2.380 20 5 DEBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@@H](F)C2)c(-c2nnn[n-]2)c1 ZINC001609601931 1077881841 /nfs/dbraw/zinc/88/18/41/1077881841.db2.gz IGHHVXMPNNHKAQ-RKDXNWHRSA-N -1 3 306.301 2.468 20 5 DEBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@@H](F)C2)c(-c2nn[n-]n2)c1 ZINC001609601931 1077881843 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DEBDHM Cc1cc(N2Cc3nc(C)[n-]c(=O)c3C2)c(F)cc1[N+](=O)[O-] ZINC000603416123 360825369 /nfs/dbraw/zinc/82/53/69/360825369.db2.gz KSBYCEXRZTUYAZ-UHFFFAOYSA-N -1 3 304.281 2.367 20 5 DEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCC(F)(F)C1 ZINC000610785349 361466868 /nfs/dbraw/zinc/46/68/68/361466868.db2.gz LHCRTWSXTLUCIB-SECBINFHSA-N -1 3 320.317 2.369 20 5 DEBDHM CCOC(=O)c1ncc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)[n-]1 ZINC000619446173 363797618 /nfs/dbraw/zinc/79/76/18/363797618.db2.gz WCXNWFGOENAYKD-UHFFFAOYSA-N -1 3 318.289 2.055 20 5 DEBDHM CCOC(=O)c1nc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)c[n-]1 ZINC000619446173 363797625 /nfs/dbraw/zinc/79/76/25/363797625.db2.gz WCXNWFGOENAYKD-UHFFFAOYSA-N -1 3 318.289 2.055 20 5 DEBDHM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c(C)cn1 ZINC000533010066 284746345 /nfs/dbraw/zinc/74/63/45/284746345.db2.gz ZAFBELSRCBBODG-UHFFFAOYSA-N -1 3 321.358 2.138 20 5 DEBDHM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c(C)cn1 ZINC000533468175 284786187 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1071290040 /nfs/dbraw/zinc/29/00/40/1071290040.db2.gz ZDGCSVDPRJCQBP-LLVKDONJSA-N -1 3 314.349 2.401 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCC[C@H]1CCCS1 ZINC001607081496 1071290929 /nfs/dbraw/zinc/29/09/29/1071290929.db2.gz FATFASZYBHJTTJ-SNVBAGLBSA-N -1 3 320.378 2.473 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCC[C@H]1CCCS1 ZINC001607081496 1071290938 /nfs/dbraw/zinc/29/09/38/1071290938.db2.gz FATFASZYBHJTTJ-SNVBAGLBSA-N -1 3 320.378 2.473 20 5 DEBDHM COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2N)c([O-])c1 ZINC001567678862 1064335964 /nfs/dbraw/zinc/33/59/64/1064335964.db2.gz KRNOAILDHDPRRZ-UHFFFAOYSA-N -1 3 303.274 2.144 20 5 DEBDHM Cc1ccc(N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c([N+](=O)[O-])c1 ZINC001613030437 1078115465 /nfs/dbraw/zinc/11/54/65/1078115465.db2.gz SMNJKWWLHKPOFR-LLVKDONJSA-N -1 3 315.333 2.090 20 5 DEBDHM CSCCO[N-]C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001568543732 1064955038 /nfs/dbraw/zinc/95/50/38/1064955038.db2.gz LOJCIAYLZAAXPG-UHFFFAOYSA-N -1 3 304.755 2.202 20 5 DEBDHM Cc1ccc(CN2CCC[C@@H](c3n[n-]c(=O)o3)C2)cc1[N+](=O)[O-] ZINC001617621369 1078146181 /nfs/dbraw/zinc/14/61/81/1078146181.db2.gz WJAMMUKJPNMVOT-GFCCVEGCSA-N -1 3 318.333 2.371 20 5 DEBDHM Nc1c(Cl)cc(C(=O)Nc2ncccc2[O-])cc1[N+](=O)[O-] ZINC001624989256 1078235617 /nfs/dbraw/zinc/23/56/17/1078235617.db2.gz DGJWKIPKJPFOHQ-UHFFFAOYSA-N -1 3 308.681 2.183 20 5 DEBDHM Nc1c(C(=O)[N-]c2nncs2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001625050102 1078237211 /nfs/dbraw/zinc/23/72/11/1078237211.db2.gz QSSUJVHHCLGNQF-UHFFFAOYSA-N -1 3 317.689 2.073 20 5 DEBDHM CCOc1ncc(C)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001636541394 1078480131 /nfs/dbraw/zinc/48/01/31/1078480131.db2.gz FWPXGXSNANFMSX-UHFFFAOYSA-N -1 3 318.289 2.050 20 5 DEBDHM C=C/C=C\CC[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001561882710 1075156530 /nfs/dbraw/zinc/15/65/30/1075156530.db2.gz YROWDTROFBBEGI-PLNGDYQASA-N -1 3 314.338 2.453 20 5 DEBDHM Cc1cc(NCc2ccc(-c3nnn[n-]3)cn2)c([N+](=O)[O-])s1 ZINC001581033881 1076035071 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DEBDHM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCC1(F)F ZINC001590314584 1076610423 /nfs/dbraw/zinc/61/04/23/1076610423.db2.gz JFQKUJMHLIYPCU-QMMMGPOBSA-N -1 3 324.291 2.256 20 5 DEBDHM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCC1(F)F ZINC001590314584 1076610424 /nfs/dbraw/zinc/61/04/24/1076610424.db2.gz JFQKUJMHLIYPCU-QMMMGPOBSA-N -1 3 324.291 2.256 20 5 DEBDHM CCCC[C@](C)(CO)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590574140 1076655648 /nfs/dbraw/zinc/65/56/48/1076655648.db2.gz WBTFFEDQCDZZEV-CQSZACIVSA-N -1 3 320.353 2.128 20 5 DEBDHM CCCCOCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590612446 1076660184 /nfs/dbraw/zinc/66/01/84/1076660184.db2.gz HOTHBGNRWKPVMQ-UHFFFAOYSA-N -1 3 306.326 2.004 20 5 DEBDHM CCCCOCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590612446 1076660188 /nfs/dbraw/zinc/66/01/88/1076660188.db2.gz HOTHBGNRWKPVMQ-UHFFFAOYSA-N -1 3 306.326 2.004 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1Sc1ncco1 ZINC001593466450 1077006178 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1077007642 /nfs/dbraw/zinc/00/76/42/1077007642.db2.gz FLXZBJFRUXQQQO-UHFFFAOYSA-N -1 3 324.291 2.256 20 5 DEBDHM O=[N+]([O-])c1cc(N[C@H]2CCCSC2)ccc1-c1nnn[n-]1 ZINC001593473550 1077007723 /nfs/dbraw/zinc/00/77/23/1077007723.db2.gz HRAIGUOVVWDAQJ-VIFPVBQESA-N -1 3 306.351 2.082 20 5 DEBDHM O=[N+]([O-])c1cc(N2C[C@@H]3CCC[C@@H]3C2)ccc1-c1nnn[n-]1 ZINC001593474988 1077007928 /nfs/dbraw/zinc/00/79/28/1077007928.db2.gz WTYOHLWGMVMULY-AOOOYVTPSA-N -1 3 300.322 2.011 20 5 DEBDHM O=[N+]([O-])c1ccc(N2CC3CCC2CC3)c(-c2nnn[n-]2)c1 ZINC001593475921 1077009034 /nfs/dbraw/zinc/00/90/34/1077009034.db2.gz GNOPRFIFOGHSGV-UHFFFAOYSA-N -1 3 300.322 2.154 20 5 DEBDHM O=[N+]([O-])c1ccc(N2CC3CCC2CC3)c(-c2nn[n-]n2)c1 ZINC001593475921 1077009039 /nfs/dbraw/zinc/00/90/39/1077009039.db2.gz GNOPRFIFOGHSGV-UHFFFAOYSA-N -1 3 300.322 2.154 20 5 DEBDHM O=[N+]([O-])c1ccc(NCCc2cccs2)c(-c2nnn[n-]2)c1 ZINC001593479093 1077010367 /nfs/dbraw/zinc/01/03/67/1077010367.db2.gz SKAHJHVWBNPYRT-UHFFFAOYSA-N -1 3 316.346 2.491 20 5 DEBDHM O=[N+]([O-])c1ccc(NCCc2cccs2)c(-c2nn[n-]n2)c1 ZINC001593479093 1077010373 /nfs/dbraw/zinc/01/03/73/1077010373.db2.gz SKAHJHVWBNPYRT-UHFFFAOYSA-N -1 3 316.346 2.491 20 5 DEBDHM O=[N+]([O-])c1sccc1NCc1cccc(-c2nnn[n-]2)c1 ZINC001593487997 1077011027 /nfs/dbraw/zinc/01/10/27/1077011027.db2.gz CEIMPBDKBRKJBV-UHFFFAOYSA-N -1 3 302.319 2.449 20 5 DEBDHM O=[N+]([O-])c1sccc1NCc1cccc(-c2nn[n-]n2)c1 ZINC001593487997 1077011031 /nfs/dbraw/zinc/01/10/31/1077011031.db2.gz CEIMPBDKBRKJBV-UHFFFAOYSA-N -1 3 302.319 2.449 20 5 DEBDHM O=C([O-])[C@]12CCC[C@H]1CN(Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC001602222319 1077529664 /nfs/dbraw/zinc/52/96/64/1077529664.db2.gz WMFVFDKNRHHDNH-NHYWBVRUSA-N -1 3 308.309 2.421 20 5 DEBDHM O=C([O-])COc1ccc(CN2CCCCCC2)cc1[N+](=O)[O-] ZINC001608758771 1077689560 /nfs/dbraw/zinc/68/95/60/1077689560.db2.gz FPXDKKDDCWJLKX-UHFFFAOYSA-N -1 3 308.334 2.434 20 5 DEBDHM CC(C)OCCCN(C)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609101566 1077763235 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CN(C)S(=O)(=O)[N-]c1cccc2nc3ccccc3nc12 ZINC001251095134 1142380822 /nfs/dbraw/zinc/38/08/22/1142380822.db2.gz WDVVBTBVDCGGRF-UHFFFAOYSA-N -1 3 302.359 2.001 20 5 DEBDHM O=C(CCc1c(Cl)cccc1[N+](=O)[O-])Nc1ccncc1[O-] ZINC001306522594 1147386289 /nfs/dbraw/zinc/38/62/89/1147386289.db2.gz OIJUMTDKZQBOOT-UHFFFAOYSA-N -1 3 321.720 2.342 20 5 DEBDHM CC(C)(C)[C@@H](CO)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000278372421 214124180 /nfs/dbraw/zinc/12/41/80/214124180.db2.gz IITJRCNSXVYEGS-LLVKDONJSA-N -1 3 316.304 2.210 20 5 DEBDHM Cc1ccc(C(=O)NCCNc2ccccc2[N+](=O)[O-])c([O-])c1 ZINC000024083594 354062273 /nfs/dbraw/zinc/06/22/73/354062273.db2.gz RHROAQKJTQCXNW-UHFFFAOYSA-N -1 3 315.329 2.451 20 5 DEBDHM COCCCn1c(=O)[n-]nc1SCc1cccc([N+](=O)[O-])c1 ZINC000026342041 354083004 /nfs/dbraw/zinc/08/30/04/354083004.db2.gz KGLFUTWZTDTSEY-UHFFFAOYSA-N -1 3 324.362 2.221 20 5 DEBDHM Cc1nn(CCC(=O)Nc2ccccc2[O-])c(C)c1[N+](=O)[O-] ZINC000164061055 355974410 /nfs/dbraw/zinc/97/44/10/355974410.db2.gz PABSGYFCWDKSKM-UHFFFAOYSA-N -1 3 304.306 2.143 20 5 DEBDHM Cc1nc(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)co1 ZINC000588834165 357427248 /nfs/dbraw/zinc/42/72/48/357427248.db2.gz LMHQDCGRFMPHCD-UHFFFAOYSA-N -1 3 319.273 2.305 20 5 DEBDHM C[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1C(=O)[O-] ZINC000593748490 358136303 /nfs/dbraw/zinc/13/63/03/358136303.db2.gz NXVHBWPMWBRQGI-SMDDNHRTSA-N -1 3 308.334 2.016 20 5 DEBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CCC(C)(C)F ZINC000594853308 358349337 /nfs/dbraw/zinc/34/93/37/358349337.db2.gz UCWQIYYFJKNMJX-UHFFFAOYSA-N -1 3 320.342 2.020 20 5 DEBDHM O=c1[n-]ccc(NCc2ccc3c(c2)OCCCO3)c1[N+](=O)[O-] ZINC000596107957 358612429 /nfs/dbraw/zinc/61/24/29/358612429.db2.gz JZQZNPPLURYKFF-UHFFFAOYSA-N -1 3 317.301 2.469 20 5 DEBDHM O=c1[n-]ccc(N[C@@H]2CCO[C@]3(CCSC3)C2)c1[N+](=O)[O-] ZINC000596166070 358627256 /nfs/dbraw/zinc/62/72/56/358627256.db2.gz PLYAJTPXWGZYFD-NOZJJQNGSA-N -1 3 311.363 2.162 20 5 DEBDHM O=c1[n-]ccc(N2CC[C@H](Oc3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC000596193695 358636000 /nfs/dbraw/zinc/63/60/00/358636000.db2.gz MQGIWXDRDXERBF-LBPRGKRZSA-N -1 3 319.292 2.492 20 5 DEBDHM C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])Cc2ccccc2O1 ZINC000596241036 358649658 /nfs/dbraw/zinc/64/96/58/358649658.db2.gz ACWTWGHRCCKROP-SNVBAGLBSA-N -1 3 301.302 2.483 20 5 DEBDHM COc1cccc2c1CN(c1cc[n-]c(=O)c1[N+](=O)[O-])CC2 ZINC000596257467 358653963 /nfs/dbraw/zinc/65/39/63/358653963.db2.gz OORBWYZYWVXKLZ-UHFFFAOYSA-N -1 3 301.302 2.267 20 5 DEBDHM CN(c1ccccc1)[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596517179 358705224 /nfs/dbraw/zinc/70/52/24/358705224.db2.gz DHRUDTPGACVOJK-CYBMUJFWSA-N -1 3 314.345 2.411 20 5 DEBDHM Cc1cc([N+](=O)[O-])ccc1CNc1ccc2c(c1)C(=O)[N-]C2=O ZINC000428337066 237133055 /nfs/dbraw/zinc/13/30/55/237133055.db2.gz GKTCJWIKKVULOF-UHFFFAOYSA-N -1 3 311.297 2.399 20 5 DEBDHM Cc1cc(S(=O)(=O)[N-]CC2(C)CC2)c(F)cc1[N+](=O)[O-] ZINC000601364339 360019023 /nfs/dbraw/zinc/01/90/23/360019023.db2.gz GPUYWPYXOWPUPW-UHFFFAOYSA-N -1 3 302.327 2.121 20 5 DEBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000602997314 360661545 /nfs/dbraw/zinc/66/15/45/360661545.db2.gz HNMJQUDKTPOONO-IMJJTQAJSA-N -1 3 306.362 2.426 20 5 DEBDHM CCCC(C)(C)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619480086 363808160 /nfs/dbraw/zinc/80/81/60/363808160.db2.gz HVKQJICIMITGAA-UHFFFAOYSA-N -1 3 316.379 2.460 20 5 DEBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(C)(C)C1CC1 ZINC000619486705 363809725 /nfs/dbraw/zinc/80/97/25/363809725.db2.gz QVABXZIPIHFYIR-UHFFFAOYSA-N -1 3 314.363 2.070 20 5 DEBDHM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@@H]1CN1CCCC1 ZINC000272542578 296183722 /nfs/dbraw/zinc/18/37/22/296183722.db2.gz OBPNWNPXNYHQPL-CYBMUJFWSA-N -1 3 319.361 2.001 20 5 DEBDHM Cc1c(C(=O)Nc2nnc(-c3ccccn3)[n-]2)cccc1[N+](=O)[O-] ZINC000065880264 184381618 /nfs/dbraw/zinc/38/16/18/184381618.db2.gz ULNSFRWWTVFZSD-UHFFFAOYSA-N -1 3 324.300 2.336 20 5 DEBDHM Cc1c(C(=O)Nc2nc(-c3ccccn3)n[n-]2)cccc1[N+](=O)[O-] ZINC000065880264 184381619 /nfs/dbraw/zinc/38/16/19/184381619.db2.gz ULNSFRWWTVFZSD-UHFFFAOYSA-N -1 3 324.300 2.336 20 5 DEBDHM Cc1c(C(=O)Nc2n[n-]c(-c3ccccn3)n2)cccc1[N+](=O)[O-] ZINC000065880264 184381622 /nfs/dbraw/zinc/38/16/22/184381622.db2.gz ULNSFRWWTVFZSD-UHFFFAOYSA-N -1 3 324.300 2.336 20 5 DEBDHM Cc1cncc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000120952465 195270674 /nfs/dbraw/zinc/27/06/74/195270674.db2.gz FKDSAFNCELDAQL-UHFFFAOYSA-N -1 3 321.358 2.085 20 5 DEBDHM Cc1ccc([N+](=O)[O-])c(NCc2nnc(C(F)(F)F)[n-]2)n1 ZINC000359671671 133138649 /nfs/dbraw/zinc/13/86/49/133138649.db2.gz LJARICYSFVNXQD-UHFFFAOYSA-N -1 3 302.216 2.047 20 5 DEBDHM Cc1ccc([N+](=O)[O-])c(NCc2n[n-]c(C(F)(F)F)n2)n1 ZINC000359671671 133138650 /nfs/dbraw/zinc/13/86/50/133138650.db2.gz LJARICYSFVNXQD-UHFFFAOYSA-N -1 3 302.216 2.047 20 5 DEBDHM Cc1ccc([N+](=O)[O-])c(NCc2nc(C(F)(F)F)n[n-]2)n1 ZINC000359671671 133138651 /nfs/dbraw/zinc/13/86/51/133138651.db2.gz LJARICYSFVNXQD-UHFFFAOYSA-N -1 3 302.216 2.047 20 5 DEBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCCSC2)c([N+](=O)[O-])c1 ZINC000362125479 133212900 /nfs/dbraw/zinc/21/29/00/133212900.db2.gz OUCQZBQCBPZUDV-JTQLQIEISA-N -1 3 316.404 2.077 20 5 DEBDHM CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CCN1C ZINC000564733276 292107820 /nfs/dbraw/zinc/10/78/20/292107820.db2.gz YAQZFYSSMQJTIZ-CQSZACIVSA-N -1 3 307.350 2.069 20 5 DEBDHM O=C([O-])CCCNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000262385605 145280931 /nfs/dbraw/zinc/28/09/31/145280931.db2.gz DQGCJFFQHQSYGK-UHFFFAOYSA-N -1 3 304.249 2.151 20 5 DEBDHM O=[N+]([O-])c1ccccc1CSc1nc2nncc-2c(O)[n-]1 ZINC000031611058 401872155 /nfs/dbraw/zinc/87/21/55/401872155.db2.gz OAPAKVOTPISPBK-UHFFFAOYSA-N -1 3 303.303 2.259 20 5 DEBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000050603434 402029392 /nfs/dbraw/zinc/02/93/92/402029392.db2.gz CKUNGXJHBMLLJX-UHFFFAOYSA-N -1 3 315.211 2.292 20 5 DEBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000050603434 402029393 /nfs/dbraw/zinc/02/93/93/402029393.db2.gz CKUNGXJHBMLLJX-UHFFFAOYSA-N -1 3 315.211 2.292 20 5 DEBDHM O=C(Nc1cccc(OCCF)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000150921453 402004889 /nfs/dbraw/zinc/00/48/89/402004889.db2.gz GKHCSPRQUGCPTN-UHFFFAOYSA-N -1 3 321.264 2.296 20 5 DEBDHM C[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000566221195 292218735 /nfs/dbraw/zinc/21/87/35/292218735.db2.gz QKOHUKLNIMDYEY-NWDGAFQWSA-N -1 3 308.334 2.016 20 5 DEBDHM COCc1nc(C(=O)[N-]c2ccc(OC)cc2[N+](=O)[O-])cs1 ZINC000065050538 402122585 /nfs/dbraw/zinc/12/25/85/402122585.db2.gz ASHNOBVCBKECNZ-UHFFFAOYSA-N -1 3 323.330 2.459 20 5 DEBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)CC2CC2)cc1[N+](=O)[O-] ZINC000123989899 402158636 /nfs/dbraw/zinc/15/86/36/402158636.db2.gz KSPAGBMKVKJNMK-ZETCQYMHSA-N -1 3 304.393 2.432 20 5 DEBDHM CC(C)C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000175829415 402836210 /nfs/dbraw/zinc/83/62/10/402836210.db2.gz XHJMDJCJJPNMQM-UHFFFAOYSA-N -1 3 316.354 2.448 20 5 DEBDHM C[C@@H](C(=O)[O-])N(C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000263580569 402784720 /nfs/dbraw/zinc/78/47/20/402784720.db2.gz WCEQGMUESSIQEP-ZETCQYMHSA-N -1 3 317.139 2.262 20 5 DEBDHM Cc1nsc([N-]C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)n1 ZINC000266656787 402981873 /nfs/dbraw/zinc/98/18/73/402981873.db2.gz KQDAPIZDBBHMAM-UHFFFAOYSA-N -1 3 307.335 2.073 20 5 DEBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]O[C@@H]2CCCCO2)c1 ZINC000283365769 403192492 /nfs/dbraw/zinc/19/24/92/403192492.db2.gz DOVZXVYOKYFPKL-CYBMUJFWSA-N -1 3 310.306 2.182 20 5 DEBDHM NC1(c2noc(-c3cc([O-])cc([N+](=O)[O-])c3)n2)CCCCC1 ZINC000424347423 405074787 /nfs/dbraw/zinc/07/47/87/405074787.db2.gz RGDPVZMMJHINKH-UHFFFAOYSA-N -1 3 304.306 2.469 20 5 DEBDHM COc1ccc(CNC(=O)c2ccccc2[O-])cc1[N+](=O)[O-] ZINC000436826770 405147342 /nfs/dbraw/zinc/14/73/42/405147342.db2.gz QARLTKBHDXWWQN-UHFFFAOYSA-N -1 3 302.286 2.239 20 5 DEBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CS[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000416597765 405193269 /nfs/dbraw/zinc/19/32/69/405193269.db2.gz SJZRYJNTKFTKGG-UWVGGRQHSA-N -1 3 316.404 2.076 20 5 DEBDHM Cc1ccc2c(Cn3cccc([N+](=O)[O-])c3=O)ccc([O-])c2n1 ZINC000427277510 405398408 /nfs/dbraw/zinc/39/84/08/405398408.db2.gz RTTVHIRUSQRXPB-UHFFFAOYSA-N -1 3 311.297 2.367 20 5 DEBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000449549820 405608988 /nfs/dbraw/zinc/60/89/88/405608988.db2.gz ASMSUWYEUNLDEL-BZPMIXESSA-N -1 3 306.362 2.283 20 5 DEBDHM Cc1cc(N2CCN3CCCC[C@H]3C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000580556286 405643297 /nfs/dbraw/zinc/64/32/97/405643297.db2.gz KMARASNSCJKAIW-LBPRGKRZSA-N -1 3 319.361 2.276 20 5 DEBDHM CCN(C[C@@H]1CCCN1CC)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000580592746 405652189 /nfs/dbraw/zinc/65/21/89/405652189.db2.gz PNCBQCPLGDSWKJ-ZDUSSCGKSA-N -1 3 321.377 2.247 20 5 DEBDHM CSC[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000129134700 196022164 /nfs/dbraw/zinc/02/21/64/196022164.db2.gz VBWNUWDWRNOBHC-SSDOTTSWSA-N -1 3 324.811 2.278 20 5 DEBDHM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000132010372 196218894 /nfs/dbraw/zinc/21/88/94/196218894.db2.gz UDGKJOPTIFCNML-BDAKNGLRSA-N -1 3 302.327 2.201 20 5 DEBDHM CCOC(=O)c1cc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])n[n-]1 ZINC000541904483 421813862 /nfs/dbraw/zinc/81/38/62/421813862.db2.gz ULPBMGASTFBSMQ-UHFFFAOYSA-N -1 3 318.289 2.055 20 5 DEBDHM CCOC(=O)c1cc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])[n-]n1 ZINC000541904483 421813864 /nfs/dbraw/zinc/81/38/64/421813864.db2.gz ULPBMGASTFBSMQ-UHFFFAOYSA-N -1 3 318.289 2.055 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nc(C[N-]c3nnco3)cs2)c1 ZINC000351569032 425040280 /nfs/dbraw/zinc/04/02/80/425040280.db2.gz QFUQEUOLNOWNEP-UHFFFAOYSA-N -1 3 303.303 2.713 20 5 DEBDHM CCCOc1cc([O-])ccc1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000430461716 269132349 /nfs/dbraw/zinc/13/23/49/269132349.db2.gz ZKFYLFXQYRLRJD-UHFFFAOYSA-N -1 3 320.305 2.075 20 5 DEBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2C[C@H](C)N(C3CC3)C2)n1 ZINC000514675641 269327517 /nfs/dbraw/zinc/32/75/17/269327517.db2.gz UQXRYDGCRDNPEB-VHSXEESVSA-N -1 3 320.349 2.034 20 5 DEBDHM C[C@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000575062214 326215491 /nfs/dbraw/zinc/21/54/91/326215491.db2.gz AKNIPRQWQYNAPA-WDEREUQCSA-N -1 3 322.365 2.220 20 5 DEBDHM CCSCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000337216302 521704946 /nfs/dbraw/zinc/70/49/46/521704946.db2.gz ZFEGIBCPTLFMTI-UHFFFAOYSA-N -1 3 324.449 2.386 20 5 DEBDHM CC(C)CCn1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC000193728001 527884172 /nfs/dbraw/zinc/88/41/72/527884172.db2.gz YFKUDBKBBSJUPY-UHFFFAOYSA-N -1 3 319.321 2.190 20 5 DEBDHM COc1cc(CNc2cccc(CCO)c2)c([N+](=O)[O-])cc1[O-] ZINC000449751069 536816173 /nfs/dbraw/zinc/81/61/73/536816173.db2.gz AXIPWMPPCFJDEF-UHFFFAOYSA-N -1 3 318.329 2.456 20 5 DEBDHM O=[N+]([O-])c1ncccc1Oc1ncc(-c2nnn[n-]2)cc1Cl ZINC000738373734 598935513 /nfs/dbraw/zinc/93/55/13/598935513.db2.gz GJIXTNLWCWYATP-UHFFFAOYSA-N -1 3 319.668 2.011 20 5 DEBDHM O=[N+]([O-])c1ncccc1Oc1ncc(-c2nn[n-]n2)cc1Cl ZINC000738373734 598935514 /nfs/dbraw/zinc/93/55/14/598935514.db2.gz GJIXTNLWCWYATP-UHFFFAOYSA-N -1 3 319.668 2.011 20 5 DEBDHM CC(C)OCCCN(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000735895918 598971428 /nfs/dbraw/zinc/97/14/28/598971428.db2.gz JOROAIIVHCHLKP-UHFFFAOYSA-N -1 3 320.353 2.026 20 5 DEBDHM CC(C)OCCCN(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000735895918 598971430 /nfs/dbraw/zinc/97/14/30/598971430.db2.gz JOROAIIVHCHLKP-UHFFFAOYSA-N -1 3 320.353 2.026 20 5 DEBDHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H](C)S1 ZINC000820770055 599074451 /nfs/dbraw/zinc/07/44/51/599074451.db2.gz YWKNZQGODHNDPR-IUCAKERBSA-N -1 3 320.378 2.105 20 5 DEBDHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H](C)S1 ZINC000820770055 599074454 /nfs/dbraw/zinc/07/44/54/599074454.db2.gz YWKNZQGODHNDPR-IUCAKERBSA-N -1 3 320.378 2.105 20 5 DEBDHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H](C)S1 ZINC000820770054 599074746 /nfs/dbraw/zinc/07/47/46/599074746.db2.gz YWKNZQGODHNDPR-DTORHVGOSA-N -1 3 320.378 2.105 20 5 DEBDHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H](C)S1 ZINC000820770054 599074752 /nfs/dbraw/zinc/07/47/52/599074752.db2.gz YWKNZQGODHNDPR-DTORHVGOSA-N -1 3 320.378 2.105 20 5 DEBDHM C[C@@H](C(=O)[O-])N(C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000263451783 598131633 /nfs/dbraw/zinc/13/16/33/598131633.db2.gz ZYBPQFXDRVQHDG-ZETCQYMHSA-N -1 3 304.249 2.101 20 5 DEBDHM CCC1(C)CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736398233 598245384 /nfs/dbraw/zinc/24/53/84/598245384.db2.gz ZYOAIAKJTFYFGX-UHFFFAOYSA-N -1 3 317.353 2.186 20 5 DEBDHM CCC1(C)CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736398233 598245386 /nfs/dbraw/zinc/24/53/86/598245386.db2.gz ZYOAIAKJTFYFGX-UHFFFAOYSA-N -1 3 317.353 2.186 20 5 DEBDHM O=[N+]([O-])c1cccc(COc2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000738367311 598549532 /nfs/dbraw/zinc/54/95/32/598549532.db2.gz QMDHLTRQTQVODB-UHFFFAOYSA-N -1 3 315.264 2.493 20 5 DEBDHM O=[N+]([O-])c1cccc(COc2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000738367311 598549534 /nfs/dbraw/zinc/54/95/34/598549534.db2.gz QMDHLTRQTQVODB-UHFFFAOYSA-N -1 3 315.264 2.493 20 5 DEBDHM CN(CCCNC(=O)[O-])Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000828303013 605475889 /nfs/dbraw/zinc/47/58/89/605475889.db2.gz XEZWHAICRKEWBY-UHFFFAOYSA-N -1 3 301.730 2.338 20 5 DEBDHM C[C@H](C[C@@H]1CCOC1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820235043 607114291 /nfs/dbraw/zinc/11/42/91/607114291.db2.gz QJSMOMZEDNPOLB-ZJUUUORDSA-N -1 3 318.337 2.002 20 5 DEBDHM C[C@H](C[C@@H]1CCOC1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820235043 607114293 /nfs/dbraw/zinc/11/42/93/607114293.db2.gz QJSMOMZEDNPOLB-ZJUUUORDSA-N -1 3 318.337 2.002 20 5 DEBDHM O=[N+]([O-])c1ccc(SC2CCOCC2)c(-c2nnn[n-]2)c1 ZINC000826499765 607905548 /nfs/dbraw/zinc/90/55/48/607905548.db2.gz WMCDWUJCWJZPQK-UHFFFAOYSA-N -1 3 307.335 2.046 20 5 DEBDHM O=[N+]([O-])c1ccc(SC2CCOCC2)c(-c2nn[n-]n2)c1 ZINC000826499765 607905549 /nfs/dbraw/zinc/90/55/49/607905549.db2.gz WMCDWUJCWJZPQK-UHFFFAOYSA-N -1 3 307.335 2.046 20 5 DEBDHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC[C@@H]1C ZINC000824962366 608303136 /nfs/dbraw/zinc/30/31/36/608303136.db2.gz UCECIHZJTVAZRH-UWVGGRQHSA-N -1 3 302.338 2.257 20 5 DEBDHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC[C@@H]1C ZINC000824962366 608303138 /nfs/dbraw/zinc/30/31/38/608303138.db2.gz UCECIHZJTVAZRH-UWVGGRQHSA-N -1 3 302.338 2.257 20 5 DEBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000824648062 609563836 /nfs/dbraw/zinc/56/38/36/609563836.db2.gz DAINOTBWRCVEDB-MWLCHTKSSA-N -1 3 318.337 2.002 20 5 DEBDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000824648062 609563837 /nfs/dbraw/zinc/56/38/37/609563837.db2.gz DAINOTBWRCVEDB-MWLCHTKSSA-N -1 3 318.337 2.002 20 5 DEBDHM COc1c([O-])ccc(CN2CCOCC23CCC3)c1[N+](=O)[O-] ZINC000892068580 624768620 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CC(C)n1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)n1 ZINC001133910489 788669779 /nfs/dbraw/zinc/66/97/79/788669779.db2.gz BVODVCLSXVQIJJ-UHFFFAOYSA-N -1 3 310.701 2.068 20 5 DEBDHM CC/C(C)=C\C(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001110127631 791925706 /nfs/dbraw/zinc/92/57/06/791925706.db2.gz BGFKDMOXCNLTJM-NTMALXAHSA-N -1 3 320.349 2.112 20 5 DEBDHM CC(C)C1(C(=O)N(C)CCNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001101942388 793452106 /nfs/dbraw/zinc/45/21/06/793452106.db2.gz IAFQHPDRBHPFED-UHFFFAOYSA-N -1 3 322.365 2.002 20 5 DEBDHM C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCCP(=O)([O-])[O-] ZINC001173233874 793645733 /nfs/dbraw/zinc/64/57/33/793645733.db2.gz KKZAYVTYVBPDDS-NSHDSACASA-N -1 3 316.294 2.073 20 5 DEBDHM COc1cc(C(=O)Nc2ccc(O)cc2[O-])ccc1[N+](=O)[O-] ZINC001176488838 794439898 /nfs/dbraw/zinc/43/98/98/794439898.db2.gz PARHKEBTQWVOKN-UHFFFAOYSA-N -1 3 304.258 2.267 20 5 DEBDHM CN(Cc1ccccc1[N+](=O)[O-])c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001184785099 796125932 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Cc1[n-]c(=O)cc(OC[C@@H]2CC[C@]3(CCCCO3)O2)c1[N+](=O)[O-] ZINC001228688091 803395536 /nfs/dbraw/zinc/39/55/36/803395536.db2.gz DNZXVWGREBXCHU-NHYWBVRUSA-N -1 3 324.333 2.458 20 5 DEBDHM C[C@@H](CO)N(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])CC1CCC1 ZINC001592762245 979356837 /nfs/dbraw/zinc/35/68/37/979356837.db2.gz QBOGOPLEMIWLNM-NSHDSACASA-N -1 3 322.361 2.276 20 5 DEBDHM C[C@H](O)C[C@H]1CCCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001593449415 995338785 /nfs/dbraw/zinc/33/87/85/995338785.db2.gz DOFMSACESNQQTA-SMDDNHRTSA-N -1 3 322.361 2.418 20 5 DEBDHM C[C@@H](C[C@@H]1CCOC1)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603465698 1069972847 /nfs/dbraw/zinc/97/28/47/1069972847.db2.gz HGPULORZXTWTST-UWVGGRQHSA-N -1 3 318.337 2.002 20 5 DEBDHM C[C@@H](C[C@@H]1CCOC1)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001603465698 1069972854 /nfs/dbraw/zinc/97/28/54/1069972854.db2.gz HGPULORZXTWTST-UWVGGRQHSA-N -1 3 318.337 2.002 20 5 DEBDHM CC1(C)C(Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1(C)C ZINC001603756938 1070081387 /nfs/dbraw/zinc/08/13/87/1070081387.db2.gz LGJHZWGOPUTKQT-UHFFFAOYSA-N -1 3 317.353 2.204 20 5 DEBDHM CC1(C)C(Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1(C)C ZINC001603756938 1070081406 /nfs/dbraw/zinc/08/14/06/1070081406.db2.gz LGJHZWGOPUTKQT-UHFFFAOYSA-N -1 3 317.353 2.204 20 5 DEBDHM C[C@H]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001603889499 1070138449 /nfs/dbraw/zinc/13/84/49/1070138449.db2.gz KLHVCSQQWVENKD-IUCAKERBSA-N -1 3 303.326 2.018 20 5 DEBDHM C[C@H]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001603889499 1070138451 /nfs/dbraw/zinc/13/84/51/1070138451.db2.gz KLHVCSQQWVENKD-IUCAKERBSA-N -1 3 303.326 2.018 20 5 DEBDHM CCCC[C@@](C)(CO)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604160739 1070256892 /nfs/dbraw/zinc/25/68/92/1070256892.db2.gz JHNAHRZKPLCJGM-AWEZNQCLSA-N -1 3 320.353 2.128 20 5 DEBDHM CCCC[C@@](C)(CO)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604160739 1070256904 /nfs/dbraw/zinc/25/69/04/1070256904.db2.gz JHNAHRZKPLCJGM-AWEZNQCLSA-N -1 3 320.353 2.128 20 5 DEBDHM CN(Cc1cc(-c2nnn[n-]2)cs1)c1ccccc1[N+](=O)[O-] ZINC001604801853 1070498852 /nfs/dbraw/zinc/49/88/52/1070498852.db2.gz UWNDVNUKWAQKJL-UHFFFAOYSA-N -1 3 316.346 2.473 20 5 DEBDHM CN(Cc1cc(-c2nn[n-]n2)cs1)c1ccccc1[N+](=O)[O-] ZINC001604801853 1070498855 /nfs/dbraw/zinc/49/88/55/1070498855.db2.gz UWNDVNUKWAQKJL-UHFFFAOYSA-N -1 3 316.346 2.473 20 5 DEBDHM Cc1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)o1 ZINC001605856213 1070948369 /nfs/dbraw/zinc/94/83/69/1070948369.db2.gz ISYCBNNTBLKYHV-UHFFFAOYSA-N -1 3 300.278 2.288 20 5 DEBDHM Cc1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)o1 ZINC001605856213 1070948375 /nfs/dbraw/zinc/94/83/75/1070948375.db2.gz ISYCBNNTBLKYHV-UHFFFAOYSA-N -1 3 300.278 2.288 20 5 DEBDHM Cc1ncc(CSc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])o1 ZINC001606089460 1071039442 /nfs/dbraw/zinc/03/94/42/1071039442.db2.gz QOSARSXUWASTEI-UHFFFAOYSA-N -1 3 318.318 2.364 20 5 DEBDHM Cc1ncc(CSc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])o1 ZINC001606089460 1071039452 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DEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1C[C@@H]2CCC[C@@H]2C1 ZINC001607083146 1071293166 /nfs/dbraw/zinc/29/31/66/1071293166.db2.gz YLMUUBRCRPPBIR-PHIMTYICSA-N -1 3 300.322 2.011 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1C[C@@H]2CCC[C@@H]2C1 ZINC001607083146 1071293170 /nfs/dbraw/zinc/29/31/70/1071293170.db2.gz YLMUUBRCRPPBIR-PHIMTYICSA-N -1 3 300.322 2.011 20 5 DEBDHM Cc1cc([N+](=O)[O-])c(F)c(C(=O)[N-]c2c[nH]ccc2=O)c1F ZINC001464818788 1059206964 /nfs/dbraw/zinc/20/69/64/1059206964.db2.gz MMMMUSOLVWYQTH-UHFFFAOYSA-N -1 3 309.228 2.122 20 5 DEBDHM O=c1[n-]ccc(NC[C@@H](O)Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC001640358823 1078657176 /nfs/dbraw/zinc/65/71/76/1078657176.db2.gz HKVBLBNNWQPVTJ-NSHDSACASA-N -1 3 323.736 2.364 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1Oc1cccc(F)c1 ZINC001582803720 1076185577 /nfs/dbraw/zinc/18/55/77/1076185577.db2.gz SCIRZPXTTGWFCZ-UHFFFAOYSA-N -1 3 302.225 2.101 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1Oc1cccc(F)c1 ZINC001582803720 1076185580 /nfs/dbraw/zinc/18/55/80/1076185580.db2.gz SCIRZPXTTGWFCZ-UHFFFAOYSA-N -1 3 302.225 2.101 20 5 DEBDHM CC1=C(C)CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001590157299 1076575893 /nfs/dbraw/zinc/57/58/93/1076575893.db2.gz MNOMXGOPGPALAA-UHFFFAOYSA-N -1 3 300.322 2.321 20 5 DEBDHM CC1=C(C)CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001590157299 1076575896 /nfs/dbraw/zinc/57/58/96/1076575896.db2.gz MNOMXGOPGPALAA-UHFFFAOYSA-N -1 3 300.322 2.321 20 5 DEBDHM CCC[C@H](CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])OC ZINC001590557158 1076652144 /nfs/dbraw/zinc/65/21/44/1076652144.db2.gz JBKYIEUNVIFGKM-SNVBAGLBSA-N -1 3 306.326 2.002 20 5 DEBDHM CCC[C@H](CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])OC ZINC001590557158 1076652145 /nfs/dbraw/zinc/65/21/45/1076652145.db2.gz JBKYIEUNVIFGKM-SNVBAGLBSA-N -1 3 306.326 2.002 20 5 DEBDHM Cc1cc(OCc2ccc(-c3nnn[n-]3)cn2)ccc1[N+](=O)[O-] ZINC001592058973 1076841343 /nfs/dbraw/zinc/84/13/43/1076841343.db2.gz KIARYFKGOVTXBI-UHFFFAOYSA-N -1 3 312.289 2.057 20 5 DEBDHM Cc1cc(OCc2ccc(-c3nn[n-]n3)cn2)ccc1[N+](=O)[O-] ZINC001592058973 1076841346 /nfs/dbraw/zinc/84/13/46/1076841346.db2.gz KIARYFKGOVTXBI-UHFFFAOYSA-N -1 3 312.289 2.057 20 5 DEBDHM Cc1ncc(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])s1 ZINC001592410645 1076911071 /nfs/dbraw/zinc/91/10/71/1076911071.db2.gz YRTIARHZTOLKRF-UHFFFAOYSA-N -1 3 317.334 2.152 20 5 DEBDHM Cc1ncc(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])s1 ZINC001592410645 1076911072 /nfs/dbraw/zinc/91/10/72/1076911072.db2.gz YRTIARHZTOLKRF-UHFFFAOYSA-N -1 3 317.334 2.152 20 5 DEBDHM Cc1occc1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001592512389 1076922918 /nfs/dbraw/zinc/92/29/18/1076922918.db2.gz RIBZIRDYQXFRQI-UHFFFAOYSA-N -1 3 300.278 2.288 20 5 DEBDHM Cc1occc1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001592512389 1076922921 /nfs/dbraw/zinc/92/29/21/1076922921.db2.gz RIBZIRDYQXFRQI-UHFFFAOYSA-N -1 3 300.278 2.288 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCOCC1CCC1 ZINC001593472060 1077007008 /nfs/dbraw/zinc/00/70/08/1077007008.db2.gz 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O=[N+]([O-])c1ccc(NCCC2(F)CCC2)c(-c2nnn[n-]2)c1 ZINC001593477720 1077008988 /nfs/dbraw/zinc/00/89/88/1077008988.db2.gz AZYIUXRKKYFGLY-UHFFFAOYSA-N -1 3 306.301 2.469 20 5 DEBDHM O=[N+]([O-])c1ccc(NCCC2(F)CCC2)c(-c2nn[n-]n2)c1 ZINC001593477720 1077008992 /nfs/dbraw/zinc/00/89/92/1077008992.db2.gz AZYIUXRKKYFGLY-UHFFFAOYSA-N -1 3 306.301 2.469 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCC[C@H](CCF)C1 ZINC001593480270 1077010005 /nfs/dbraw/zinc/01/00/05/1077010005.db2.gz HTIYHZCJSAZBGT-SNVBAGLBSA-N -1 3 320.328 2.351 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCC[C@H](CCF)C1 ZINC001593480270 1077010007 /nfs/dbraw/zinc/01/00/07/1077010007.db2.gz HTIYHZCJSAZBGT-SNVBAGLBSA-N -1 3 320.328 2.351 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCCC1(F)CCC1 ZINC001593481521 1077010192 /nfs/dbraw/zinc/01/01/92/1077010192.db2.gz QRLOIHJESRXOFW-UHFFFAOYSA-N -1 3 306.301 2.469 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCCC1(F)CCC1 ZINC001593481521 1077010196 /nfs/dbraw/zinc/01/01/96/1077010196.db2.gz QRLOIHJESRXOFW-UHFFFAOYSA-N -1 3 306.301 2.469 20 5 DEBDHM CC(C)[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001609091953 1077758282 /nfs/dbraw/zinc/75/82/82/1077758282.db2.gz XICLNGJSUWCNHU-JTQLQIEISA-N -1 3 317.353 2.042 20 5 DEBDHM CC(C)[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001609091953 1077758288 /nfs/dbraw/zinc/75/82/88/1077758288.db2.gz XICLNGJSUWCNHU-JTQLQIEISA-N -1 3 317.353 2.042 20 5 DEBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccn1 ZINC001609126098 1077767446 /nfs/dbraw/zinc/76/74/46/1077767446.db2.gz FLGCDMSGBBTMIE-SECBINFHSA-N -1 3 311.305 2.343 20 5 DEBDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccccn1 ZINC001609126098 1077767448 /nfs/dbraw/zinc/76/74/48/1077767448.db2.gz FLGCDMSGBBTMIE-SECBINFHSA-N -1 3 311.305 2.343 20 5 DEBDHM C[C@@H]1CC[C@H](CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001609160651 1077777589 /nfs/dbraw/zinc/77/75/89/1077777589.db2.gz HJHBVYRTYWCHSV-BDAKNGLRSA-N -1 3 303.326 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O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1SC[C@@H]1CCCO1 ZINC001609600431 1077880942 /nfs/dbraw/zinc/88/09/42/1077880942.db2.gz IXZUBMJXURZILH-VIFPVBQESA-N -1 3 307.335 2.046 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1SC[C@@H]1CCCO1 ZINC001609600431 1077880944 /nfs/dbraw/zinc/88/09/44/1077880944.db2.gz IXZUBMJXURZILH-VIFPVBQESA-N -1 3 307.335 2.046 20 5 DEBDHM O=c1[n-]ccc(N2CCOc3cccc(F)c3C2)c1[N+](=O)[O-] ZINC001651787633 1079832222 /nfs/dbraw/zinc/83/22/22/1079832222.db2.gz HTFJNELRIFTUAC-UHFFFAOYSA-N -1 3 305.265 2.234 20 5 DEBDHM O=c1[n-]ccc(NC[C@H](CO)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC001651942729 1079842901 /nfs/dbraw/zinc/84/29/01/1079842901.db2.gz PQBWAMLNEVKXRP-SNVBAGLBSA-N -1 3 307.281 2.023 20 5 DEBDHM CCOc1cc(N2CC[C@H](c3cc(=O)[nH][n-]3)C2)ccc1[N+](=O)[O-] ZINC001652002523 1079844902 /nfs/dbraw/zinc/84/49/02/1079844902.db2.gz YHBCTBOTNFTOHS-JTQLQIEISA-N -1 3 318.333 2.416 20 5 DEBDHM CCc1cccc(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)c1[O-] ZINC001654836641 1079979093 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O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc2[nH][n-]c(=O)c2c1 ZINC000590430348 357544953 /nfs/dbraw/zinc/54/49/53/357544953.db2.gz UBRYZIGIRYKZAJ-UHFFFAOYSA-N -1 3 312.285 2.107 20 5 DEBDHM CC(C)(C)OC(=O)Cn1cc([N-]c2ncccc2[N+](=O)[O-])cn1 ZINC000591956798 357805657 /nfs/dbraw/zinc/80/56/57/357805657.db2.gz UZIGWVUJAABGDR-UHFFFAOYSA-N -1 3 319.321 2.272 20 5 DEBDHM CCOc1cc(CN2CCC[C@@]2(C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593746456 358136334 /nfs/dbraw/zinc/13/63/34/358136334.db2.gz PMSKMNBTGMEZRE-HNNXBMFYSA-N -1 3 308.334 2.433 20 5 DEBDHM O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1cc([N+](=O)[O-])ccc1[O-] ZINC000594419750 358264715 /nfs/dbraw/zinc/26/47/15/358264715.db2.gz QXRYQVGORPQYPK-ZIAGYGMSSA-N -1 3 319.361 2.047 20 5 DEBDHM CC[C@@H](C)[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594744565 358331669 /nfs/dbraw/zinc/33/16/69/358331669.db2.gz KIAHNKDEPQTQJF-SECBINFHSA-N -1 3 309.347 2.220 20 5 DEBDHM Cc1sc(S(=O)(=O)[N-]CCc2ccoc2)cc1[N+](=O)[O-] ZINC000594853376 358349382 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COCCCCCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591410158 1076742183 /nfs/dbraw/zinc/74/21/83/1076742183.db2.gz AXHQFOJESGWMHG-UHFFFAOYSA-N -1 3 306.326 2.004 20 5 DEBDHM O=[N+]([O-])c1cc(F)ccc1COc1cccc(-c2nnn[n-]2)c1 ZINC001593470348 1077006666 /nfs/dbraw/zinc/00/66/66/1077006666.db2.gz CDFKLIHMLWIAAU-UHFFFAOYSA-N -1 3 315.264 2.493 20 5 DEBDHM O=[N+]([O-])c1cc(F)ccc1COc1cccc(-c2nn[n-]n2)c1 ZINC001593470348 1077006672 /nfs/dbraw/zinc/00/66/72/1077006672.db2.gz CDFKLIHMLWIAAU-UHFFFAOYSA-N -1 3 315.264 2.493 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCC[C@H]1CCOC1 ZINC001593471347 1077007440 /nfs/dbraw/zinc/00/74/40/1077007440.db2.gz SZYOTFIPSATNDK-JTQLQIEISA-N -1 3 318.337 2.004 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCC[C@H]1CCOC1 ZINC001593471347 1077007449 /nfs/dbraw/zinc/00/74/49/1077007449.db2.gz SZYOTFIPSATNDK-JTQLQIEISA-N -1 3 318.337 2.004 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1Oc1ccc(Cl)nc1 ZINC001593472918 1077007648 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CBUOPHVHYBBAIK-UHFFFAOYSA-N -1 3 306.253 2.093 20 5 DEBDHM CC(C)(C)c1cnc(NCCCc2c[n-][nH]c2=O)c([N+](=O)[O-])c1 ZINC001164370813 799586210 /nfs/dbraw/zinc/58/62/10/799586210.db2.gz NBBSRLAYKWEUQQ-SNVBAGLBSA-N -1 3 319.365 2.211 20 5 DEBDHM O=[N+]([O-])c1cc([N+](=O)[O-])c(OC2CCN(C3CC3)CC2)cc1[O-] ZINC001231224333 801609313 /nfs/dbraw/zinc/60/93/13/801609313.db2.gz NRCUPJUHKMMALA-UHFFFAOYSA-N -1 3 323.305 2.214 20 5 DEBDHM CC1(C)CC(=O)CC[C@@H]1Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227689715 803267333 /nfs/dbraw/zinc/26/73/33/803267333.db2.gz CHMLCOFUDSPMAJ-JTQLQIEISA-N -1 3 304.306 2.393 20 5 DEBDHM Cc1c(CN[C@H](CC(F)(F)F)C(=O)[O-])cccc1[N+](=O)[O-] ZINC001332420816 961565211 /nfs/dbraw/zinc/56/52/11/961565211.db2.gz RVKQZBDUSAFWFJ-SECBINFHSA-N -1 3 306.240 2.398 20 5 DEBDHM C[C@@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC001603860300 1070122782 /nfs/dbraw/zinc/12/27/82/1070122782.db2.gz BAZRPOSYSNDCKY-DOFRTFSJSA-N -1 3 318.337 2.143 20 5 DEBDHM C[C@@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC001603860300 1070122786 /nfs/dbraw/zinc/12/27/86/1070122786.db2.gz BAZRPOSYSNDCKY-DOFRTFSJSA-N -1 3 318.337 2.143 20 5 DEBDHM C[C@H]1CCCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001603898470 1070144682 /nfs/dbraw/zinc/14/46/82/1070144682.db2.gz NWAAMMPHWLKYBO-QMMMGPOBSA-N -1 3 306.301 2.150 20 5 DEBDHM C[C@H]1CCCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001603898470 1070144685 /nfs/dbraw/zinc/14/46/85/1070144685.db2.gz NWAAMMPHWLKYBO-QMMMGPOBSA-N -1 3 306.301 2.150 20 5 DEBDHM CCC1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001604105473 1070221029 /nfs/dbraw/zinc/22/10/29/1070221029.db2.gz HQCRJJIHLUNVQW-UHFFFAOYSA-N -1 3 302.338 2.401 20 5 DEBDHM CCC1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001604105473 1070221043 /nfs/dbraw/zinc/22/10/43/1070221043.db2.gz HQCRJJIHLUNVQW-UHFFFAOYSA-N -1 3 302.338 2.401 20 5 DEBDHM Cc1nn([C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c(C)c1[N+](=O)[O-] ZINC001606105378 1071043306 /nfs/dbraw/zinc/04/33/06/1071043306.db2.gz WQLBZUBJDCWSBZ-VIFPVBQESA-N -1 3 313.321 2.198 20 5 DEBDHM Cc1nn([C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(C)c1[N+](=O)[O-] ZINC001606105378 1071043310 /nfs/dbraw/zinc/04/33/10/1071043310.db2.gz WQLBZUBJDCWSBZ-VIFPVBQESA-N -1 3 313.321 2.198 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N[C@H]1CC=CCC1 ZINC001607078024 1071287759 /nfs/dbraw/zinc/28/77/59/1071287759.db2.gz XUOADUQBNMLBGI-QMMMGPOBSA-N -1 3 304.285 2.435 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N[C@H]1CC=CCC1 ZINC001607078024 1071287764 /nfs/dbraw/zinc/28/77/64/1071287764.db2.gz XUOADUQBNMLBGI-QMMMGPOBSA-N -1 3 304.285 2.435 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@@H](C2CCC2)C1 ZINC001607079084 1071288141 /nfs/dbraw/zinc/28/81/41/1071288141.db2.gz HEWGEHYDLHMMJS-GFCCVEGCSA-N -1 3 314.349 2.401 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@@H](C2CCC2)C1 ZINC001607079084 1071288152 /nfs/dbraw/zinc/28/81/52/1071288152.db2.gz HEWGEHYDLHMMJS-GFCCVEGCSA-N -1 3 314.349 2.401 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1cccc(O)c1 ZINC001607078668 1071288974 /nfs/dbraw/zinc/28/89/74/1071288974.db2.gz BCEDLKYJVZIUCW-UHFFFAOYSA-N -1 3 312.289 2.093 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1cccc(O)c1 ZINC001607078668 1071288983 /nfs/dbraw/zinc/28/89/83/1071288983.db2.gz BCEDLKYJVZIUCW-UHFFFAOYSA-N -1 3 312.289 2.093 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CC[C@@H](C2CC2)C1 ZINC001607084288 1071293475 /nfs/dbraw/zinc/29/34/75/1071293475.db2.gz YARLSSPVWWMFCG-SNVBAGLBSA-N -1 3 300.322 2.011 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CC[C@@H](C2CC2)C1 ZINC001607084288 1071293479 /nfs/dbraw/zinc/29/34/79/1071293479.db2.gz YARLSSPVWWMFCG-SNVBAGLBSA-N -1 3 300.322 2.011 20 5 DEBDHM O=c1[n-]ccc(NCc2ccnc(OC(F)F)c2)c1[N+](=O)[O-] ZINC001458372560 1058059805 /nfs/dbraw/zinc/05/98/05/1058059805.db2.gz PGXXDLTZKYYXRQ-UHFFFAOYSA-N -1 3 312.232 2.304 20 5 DEBDHM CC(=O)c1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])nc1C ZINC001639726000 1078625915 /nfs/dbraw/zinc/62/59/15/1078625915.db2.gz KDGOWGLQACIIAN-UHFFFAOYSA-N -1 3 302.290 2.214 20 5 DEBDHM CN1C(=O)CCc2cc(Nc3cc[n-]c(=O)c3[N+](=O)[O-])ccc21 ZINC001642235838 1078748318 /nfs/dbraw/zinc/74/83/18/1078748318.db2.gz MRNXHZKKOKKEBT-UHFFFAOYSA-N -1 3 314.301 2.348 20 5 DEBDHM O=c1cc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])[nH]c2ccccc12 ZINC001643068564 1078782220 /nfs/dbraw/zinc/78/22/20/1078782220.db2.gz NCAYIKNMTOPBDQ-UHFFFAOYSA-N -1 3 312.285 2.149 20 5 DEBDHM COc1c([O-])ccc(CN2CC(OCC(C)C)C2)c1[N+](=O)[O-] ZINC001560710296 1075144605 /nfs/dbraw/zinc/14/46/05/1075144605.db2.gz FKTKJHRFEFNPCT-UHFFFAOYSA-N -1 3 310.350 2.166 20 5 DEBDHM Cc1cccc(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])n1 ZINC001581241116 1076056896 /nfs/dbraw/zinc/05/68/96/1076056896.db2.gz UZNQTQPJFKHPGY-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1cccc(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])n1 ZINC001581241116 1076056898 /nfs/dbraw/zinc/05/68/98/1076056898.db2.gz UZNQTQPJFKHPGY-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM C[C@@H]1C[C@@H](Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CS1 ZINC001590207100 1076582415 /nfs/dbraw/zinc/58/24/15/1076582415.db2.gz OFQNICIDCQHMRN-RNFRBKRXSA-N -1 3 324.341 2.220 20 5 DEBDHM C[C@@H]1C[C@@H](Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CS1 ZINC001590207100 1076582419 /nfs/dbraw/zinc/58/24/19/1076582419.db2.gz OFQNICIDCQHMRN-RNFRBKRXSA-N -1 3 324.341 2.220 20 5 DEBDHM C[C@@H]1CCC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H]1C ZINC001590251242 1076600228 /nfs/dbraw/zinc/60/02/28/1076600228.db2.gz HGFUTWUIAAOIDZ-FXPVBKGRSA-N -1 3 317.353 2.407 20 5 DEBDHM C[C@@H]1CCC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@@H]1C ZINC001590251242 1076600231 /nfs/dbraw/zinc/60/02/31/1076600231.db2.gz HGFUTWUIAAOIDZ-FXPVBKGRSA-N -1 3 317.353 2.407 20 5 DEBDHM CC[C@H](C)CONc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590408063 1076622740 /nfs/dbraw/zinc/62/27/40/1076622740.db2.gz CKMUOFGHVAPDDM-QMMMGPOBSA-N -1 3 306.326 2.473 20 5 DEBDHM CC[C@H](C)CONc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590408063 1076622743 /nfs/dbraw/zinc/62/27/43/1076622743.db2.gz CKMUOFGHVAPDDM-QMMMGPOBSA-N -1 3 306.326 2.473 20 5 DEBDHM Nc1c([N+](=O)[O-])ccc(N[C@@H]2CCC[C@@H](F)C2)c1-c1nnn[n-]1 ZINC001592756620 1076958100 /nfs/dbraw/zinc/95/81/00/1076958100.db2.gz DLXIWGTZGHAZDJ-HTQZYQBOSA-N -1 3 321.316 2.050 20 5 DEBDHM Nc1c([N+](=O)[O-])ccc(N[C@@H]2CCC[C@@H](F)C2)c1-c1nn[n-]n1 ZINC001592756620 1076958103 /nfs/dbraw/zinc/95/81/03/1076958103.db2.gz DLXIWGTZGHAZDJ-HTQZYQBOSA-N -1 3 321.316 2.050 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NCCc1ccco1 ZINC001593469230 1077007555 /nfs/dbraw/zinc/00/75/55/1077007555.db2.gz USMVMCLQTOFUEO-UHFFFAOYSA-N -1 3 318.268 2.162 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NCCc1ccco1 ZINC001593469230 1077007559 /nfs/dbraw/zinc/00/75/59/1077007559.db2.gz USMVMCLQTOFUEO-UHFFFAOYSA-N -1 3 318.268 2.162 20 5 DEBDHM O=[N+]([O-])c1cc(N2CC(CC3CC3)C2)ccc1-c1nnn[n-]1 ZINC001593471636 1077007632 /nfs/dbraw/zinc/00/76/32/1077007632.db2.gz QFJGJMBVFPBRCB-UHFFFAOYSA-N -1 3 300.322 2.011 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@@H]1C[C@H]1C1CCC1 ZINC001593474302 1077008584 /nfs/dbraw/zinc/00/85/84/1077008584.db2.gz BNWPJLZTCDSFMA-WDEREUQCSA-N -1 3 300.322 2.375 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@@H]1C[C@H]1C1CCC1 ZINC001593474302 1077008588 /nfs/dbraw/zinc/00/85/88/1077008588.db2.gz BNWPJLZTCDSFMA-WDEREUQCSA-N -1 3 300.322 2.375 20 5 DEBDHM O=[N+]([O-])c1ccc(NC2CC3(CC3(F)F)C2)c(-c2nnn[n-]2)c1 ZINC001593477902 1077008862 /nfs/dbraw/zinc/00/88/62/1077008862.db2.gz JCKAEOSFCKHURQ-UHFFFAOYSA-N -1 3 322.275 2.375 20 5 DEBDHM O=[N+]([O-])c1ccc(NC2CC3(CC3(F)F)C2)c(-c2nn[n-]n2)c1 ZINC001593477902 1077008867 /nfs/dbraw/zinc/00/88/67/1077008867.db2.gz JCKAEOSFCKHURQ-UHFFFAOYSA-N -1 3 322.275 2.375 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CN(CC(F)F)C1CC1 ZINC001593480197 1077009552 /nfs/dbraw/zinc/00/95/52/1077009552.db2.gz IOBZEKFMGOAECA-UHFFFAOYSA-N -1 3 324.291 2.004 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CN(CC(F)F)C1CC1 ZINC001593480197 1077009557 /nfs/dbraw/zinc/00/95/57/1077009557.db2.gz IOBZEKFMGOAECA-UHFFFAOYSA-N -1 3 324.291 2.004 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC1CC2(CC2(F)F)C1 ZINC001593481073 1077010018 /nfs/dbraw/zinc/01/00/18/1077010018.db2.gz OQZVHZSODRNKDR-UHFFFAOYSA-N -1 3 322.275 2.375 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC1CC2(CC2(F)F)C1 ZINC001593481073 1077010022 /nfs/dbraw/zinc/01/00/22/1077010022.db2.gz OQZVHZSODRNKDR-UHFFFAOYSA-N -1 3 322.275 2.375 20 5 DEBDHM Cc1nn(CN2CC[C@@H](C(=O)[O-])[C@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC001600788299 1077270599 /nfs/dbraw/zinc/27/05/99/1077270599.db2.gz XHNCHBOYEUIAGL-ZWNOBZJWSA-N -1 3 318.333 2.005 20 5 DEBDHM Cc1cc(NC[C@@H]2CCC=CO2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609409242 1077853135 /nfs/dbraw/zinc/85/31/35/1077853135.db2.gz CZYFNZFYOURWPW-JTQLQIEISA-N -1 3 316.321 2.188 20 5 DEBDHM Cc1cc(NC[C@@H]2CCC=CO2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609409242 1077853136 /nfs/dbraw/zinc/85/31/36/1077853136.db2.gz CZYFNZFYOURWPW-JTQLQIEISA-N -1 3 316.321 2.188 20 5 DEBDHM O=[N+]([O-])c1cc(C=Cc2ccc(-c3nnn[n-]3)cn2)cs1 ZINC001609600505 1077881071 /nfs/dbraw/zinc/88/10/71/1077881071.db2.gz NHUMQOUSASFGNR-HNQUOIGGSA-N -1 3 300.303 2.402 20 5 DEBDHM O=[N+]([O-])c1cc(C=Cc2ccc(-c3nn[n-]n3)cn2)cs1 ZINC001609600505 1077881073 /nfs/dbraw/zinc/88/10/73/1077881073.db2.gz NHUMQOUSASFGNR-HNQUOIGGSA-N -1 3 300.303 2.402 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@@H]1CCCSC1 ZINC001609599868 1077881268 /nfs/dbraw/zinc/88/12/68/1077881268.db2.gz FKXQWTVFFLKZMT-VIFPVBQESA-N -1 3 320.378 2.330 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@@H]1CCCSC1 ZINC001609599868 1077881274 /nfs/dbraw/zinc/88/12/74/1077881274.db2.gz FKXQWTVFFLKZMT-VIFPVBQESA-N -1 3 320.378 2.330 20 5 DEBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2C=CCCC2)c(F)cc1[N+](=O)[O-] ZINC001662128131 1080571908 /nfs/dbraw/zinc/57/19/08/1080571908.db2.gz JPAGFNBYRNKFMG-SNVBAGLBSA-N -1 3 314.338 2.429 20 5 DEBDHM Cc1cc(S(=O)(=O)[N-]CC2CCC2)c(F)cc1[N+](=O)[O-] ZINC001666330050 1081143843 /nfs/dbraw/zinc/14/38/43/1081143843.db2.gz ZYDOZVRRLAIOBD-UHFFFAOYSA-N -1 3 302.327 2.121 20 5 DEBDHM O=C([N-]c1nccc2cc([N+](=O)[O-])ccc21)c1cccc[n+]1[O-] ZINC001648876862 1082114526 /nfs/dbraw/zinc/11/45/26/1082114526.db2.gz DTYNMDSJLOAJSK-UHFFFAOYSA-N -1 3 310.269 2.029 20 5 DEBDHM O=c1[n-]cnc2c1CCN(c1nccc3c1cccc3[N+](=O)[O-])C2 ZINC001307136860 1147399389 /nfs/dbraw/zinc/39/93/89/1147399389.db2.gz LSAIJPYIGMJXIC-UHFFFAOYSA-N -1 3 323.312 2.201 20 5 DEBDHM Cc1[nH]nc(C(=O)Nc2ccc([O-])cc2OC(C)C)c1[N+](=O)[O-] ZINC000278568599 214243913 /nfs/dbraw/zinc/24/39/13/214243913.db2.gz PJOUAOKCBQNKIP-UHFFFAOYSA-N -1 3 320.305 2.371 20 5 DEBDHM Cc1cc(=O)[n-]c(C(C)(C)NCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000595517933 358471908 /nfs/dbraw/zinc/47/19/08/358471908.db2.gz GVWWBZYGFSJBSG-UHFFFAOYSA-N -1 3 316.361 2.466 20 5 DEBDHM CCCCC[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000023389823 354059645 /nfs/dbraw/zinc/05/96/45/354059645.db2.gz RVPQSHMIBDSIPR-UHFFFAOYSA-N -1 3 302.352 2.072 20 5 DEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@@H]1CCCSC1 ZINC000287475264 219547427 /nfs/dbraw/zinc/54/74/27/219547427.db2.gz PYYVXFCGWBACIV-JTQLQIEISA-N -1 3 316.404 2.016 20 5 DEBDHM CCCN(CC(=O)[O-])Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000263379507 283112794 /nfs/dbraw/zinc/11/27/94/283112794.db2.gz BHGBOPGNPBBGAP-UHFFFAOYSA-N -1 3 318.276 2.493 20 5 DEBDHM CCOc1cc(CN2CC[C@@H](C(=O)[O-])[C@H]2C)ccc1[N+](=O)[O-] ZINC000579364745 356964895 /nfs/dbraw/zinc/96/48/95/356964895.db2.gz WIOZFGNIWUEVCH-ZYHUDNBSSA-N -1 3 308.334 2.289 20 5 DEBDHM CCc1ccc([O-])c(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)c1 ZINC000179813441 199083320 /nfs/dbraw/zinc/08/33/20/199083320.db2.gz ANAMTMGYMVHVNC-UHFFFAOYSA-N -1 3 304.306 2.157 20 5 DEBDHM O=C(N[C@H]1CCCN2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1[O-] ZINC000594417267 358263108 /nfs/dbraw/zinc/26/31/08/358263108.db2.gz BKWSEULROUMHHW-QWHCGFSZSA-N -1 3 319.361 2.047 20 5 DEBDHM O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1cc([N+](=O)[O-])ccc1[O-] ZINC000594419748 358264546 /nfs/dbraw/zinc/26/45/46/358264546.db2.gz QXRYQVGORPQYPK-KGLIPLIRSA-N -1 3 319.361 2.047 20 5 DEBDHM O=c1[n-]ccc(N2CCN(Cc3cccs3)CC2)c1[N+](=O)[O-] ZINC000596058055 358600218 /nfs/dbraw/zinc/60/02/18/358600218.db2.gz BMELIPHZTGHAEP-UHFFFAOYSA-N -1 3 320.374 2.079 20 5 DEBDHM O=c1[n-]ccc(NCCc2ccc3c(c2)CCO3)c1[N+](=O)[O-] ZINC000596128977 358617819 /nfs/dbraw/zinc/61/78/19/358617819.db2.gz RPRSLMIRRMNIHB-UHFFFAOYSA-N -1 3 301.302 2.285 20 5 DEBDHM O=c1[n-]ccc(N2CCC(C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000596172662 358629540 /nfs/dbraw/zinc/62/95/40/358629540.db2.gz MPXHFEGUADZKKU-UHFFFAOYSA-N -1 3 307.350 2.338 20 5 DEBDHM CCOC(=O)[C@@]1(C(C)C)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596212770 358641466 /nfs/dbraw/zinc/64/14/66/358641466.db2.gz MBZTUYGBSIQJDT-HNNXBMFYSA-N -1 3 323.349 2.111 20 5 DEBDHM COc1ccc2c(c1)OCCN(c1cc[n-]c(=O)c1[N+](=O)[O-])C2 ZINC000596228180 358646767 /nfs/dbraw/zinc/64/67/67/358646767.db2.gz YKBTUCPHFUQHRL-UHFFFAOYSA-N -1 3 317.301 2.103 20 5 DEBDHM O=c1[n-]ccc(NCc2cccnc2N2CCCC2)c1[N+](=O)[O-] ZINC000596356618 358671516 /nfs/dbraw/zinc/67/15/16/358671516.db2.gz LATQDBPWUFGMHI-UHFFFAOYSA-N -1 3 315.333 2.303 20 5 DEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2CC=CC2)cc1C ZINC000599387627 359486097 /nfs/dbraw/zinc/48/60/97/359486097.db2.gz ZWSHBZXNHUAOIX-UHFFFAOYSA-N -1 3 310.375 2.456 20 5 DEBDHM Cc1occc1C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000604306829 360895598 /nfs/dbraw/zinc/89/55/98/360895598.db2.gz DPWZIHCBBZXXLC-UHFFFAOYSA-N -1 3 310.331 2.283 20 5 DEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCC(F)(F)F)cc1 ZINC000266433550 205343449 /nfs/dbraw/zinc/34/34/49/205343449.db2.gz JFAZXIOGRIBYEA-UHFFFAOYSA-N -1 3 312.269 2.216 20 5 DEBDHM C[C@@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000269105628 207245274 /nfs/dbraw/zinc/24/52/74/207245274.db2.gz BGOSULOPNHJQIL-NEPJUHHUSA-N -1 3 321.377 2.151 20 5 DEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)CC(C)C ZINC000157565578 197196966 /nfs/dbraw/zinc/19/69/66/197196966.db2.gz BGKGIJCKTYXETP-SNVBAGLBSA-N -1 3 316.379 2.316 20 5 DEBDHM CCOC(=O)c1ccc([N-]C(=O)c2ccc([N+](=O)[O-])o2)cn1 ZINC000542080335 285207720 /nfs/dbraw/zinc/20/77/20/285207720.db2.gz DKUFZMJNZQUGGY-UHFFFAOYSA-N -1 3 305.246 2.012 20 5 DEBDHM COC(=O)c1cc([N-]C(=O)c2cncs2)cc([N+](=O)[O-])c1 ZINC000340509787 131914303 /nfs/dbraw/zinc/91/43/03/131914303.db2.gz ADXMNLSAECTCNI-UHFFFAOYSA-N -1 3 307.287 2.090 20 5 DEBDHM O=[N+]([O-])c1cc(F)cc([N-]S(=O)(=O)N2CCCCCC2)c1 ZINC000355837303 133051411 /nfs/dbraw/zinc/05/14/11/133051411.db2.gz FHLIRBJSNJHBCW-UHFFFAOYSA-N -1 3 317.342 2.267 20 5 DEBDHM O=C([N-]c1nc(-c2ccccc2F)co1)c1n[nH]cc1[N+](=O)[O-] ZINC000368444395 133273488 /nfs/dbraw/zinc/27/34/88/133273488.db2.gz CDQPWFAANUZDTN-UHFFFAOYSA-N -1 3 317.236 2.364 20 5 DEBDHM Cc1cc(N2CC[C@H](N3CC=CC3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000563205534 292038885 /nfs/dbraw/zinc/03/88/85/292038885.db2.gz BZHZDEBSNZCAFN-LBPRGKRZSA-N -1 3 317.345 2.052 20 5 DEBDHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]C2CC(C(F)(F)F)C2)c1 ZINC000344957011 145960446 /nfs/dbraw/zinc/96/04/46/145960446.db2.gz HVBLHGIGYHZVFT-UHFFFAOYSA-N -1 3 324.280 2.214 20 5 DEBDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1ncn(C)n1 ZINC000349413430 146376780 /nfs/dbraw/zinc/37/67/80/146376780.db2.gz NOBHVHPWMGTEMI-UHFFFAOYSA-N -1 3 307.335 2.088 20 5 DEBDHM CN(CCc1cccc([N+](=O)[O-])c1)Cc1ccc(C(=O)[O-])cn1 ZINC000565837691 292185917 /nfs/dbraw/zinc/18/59/17/292185917.db2.gz FTMYIPGETOZYSC-UHFFFAOYSA-N -1 3 315.329 2.363 20 5 DEBDHM Cc1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000048670684 402005535 /nfs/dbraw/zinc/00/55/35/402005535.db2.gz NYKWTPWBXNBQOV-UHFFFAOYSA-N -1 3 312.372 2.443 20 5 DEBDHM CCOC(=O)c1cc(C(=O)[N-]c2nocc2C)cc([N+](=O)[O-])c1 ZINC000123638460 402139295 /nfs/dbraw/zinc/13/92/95/402139295.db2.gz QYZMMUFYOLRWEO-UHFFFAOYSA-N -1 3 319.273 2.320 20 5 DEBDHM Cc1ccc(S(=O)(=O)[N-]Cc2cccc(C)n2)c([N+](=O)[O-])c1 ZINC000101573335 402149760 /nfs/dbraw/zinc/14/97/60/402149760.db2.gz BPYSMOWAMQUPJM-UHFFFAOYSA-N -1 3 321.358 2.085 20 5 DEBDHM O=C(NCc1cccc([N+](=O)[O-])c1)c1c[n-]c2ccccc2c1=O ZINC000067329466 402156784 /nfs/dbraw/zinc/15/67/84/402156784.db2.gz KAXNVJHOZQMXNO-UHFFFAOYSA-N -1 3 323.308 2.366 20 5 DEBDHM CN(C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])C1CCCC1 ZINC000186224588 402412687 /nfs/dbraw/zinc/41/26/87/402412687.db2.gz SPEXXWIUHPLHES-UHFFFAOYSA-N -1 3 321.377 2.247 20 5 DEBDHM C[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)c2c([O-])cccc21 ZINC000186302310 402419452 /nfs/dbraw/zinc/41/94/52/402419452.db2.gz JVQORLZRYYAZAL-JTQLQIEISA-N -1 3 316.317 2.037 20 5 DEBDHM O=C(Nc1ccc2c(c1)CCCO2)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000171312878 402577029 /nfs/dbraw/zinc/57/70/29/402577029.db2.gz QZFGUTUOARCXEC-UHFFFAOYSA-N -1 3 315.285 2.273 20 5 DEBDHM COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263317477 402758076 /nfs/dbraw/zinc/75/80/76/402758076.db2.gz IXIFXLWTTYQIKH-JQWIXIFHSA-N -1 3 308.334 2.146 20 5 DEBDHM COc1cc(CNC[C@H](O)c2ccc(C)o2)c([N+](=O)[O-])cc1[O-] ZINC000265921460 402962695 /nfs/dbraw/zinc/96/26/95/402962695.db2.gz CAFRJXHDORFGFV-ZDUSSCGKSA-N -1 3 322.317 2.034 20 5 DEBDHM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]OC[C@H]2CCOC2)c1 ZINC000276337606 403165242 /nfs/dbraw/zinc/16/52/42/403165242.db2.gz UKIRQQDYJBJENE-VIFPVBQESA-N -1 3 312.347 2.015 20 5 DEBDHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc([N+](=O)[O-])cc1F ZINC000277466646 403220800 /nfs/dbraw/zinc/22/08/00/403220800.db2.gz UMFWNJQZZJUPRP-SSDOTTSWSA-N -1 3 321.186 2.111 20 5 DEBDHM CCCN(CCN1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000287427897 403597065 /nfs/dbraw/zinc/59/70/65/403597065.db2.gz QMVAFPNXWUWJAE-UHFFFAOYSA-N -1 3 321.377 2.248 20 5 DEBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1(C(C)C)CC1 ZINC000293855273 403581544 /nfs/dbraw/zinc/58/15/44/403581544.db2.gz RLPJMKIGCFYWAP-UHFFFAOYSA-N -1 3 314.363 2.070 20 5 DEBDHM CCc1cnc(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2C)[n-]1 ZINC000424204633 405038083 /nfs/dbraw/zinc/03/80/83/405038083.db2.gz KUEANAJTMFZHNX-UHFFFAOYSA-N -1 3 309.347 2.163 20 5 DEBDHM CCc1c[n-]c(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000424204633 405038085 /nfs/dbraw/zinc/03/80/85/405038085.db2.gz KUEANAJTMFZHNX-UHFFFAOYSA-N -1 3 309.347 2.163 20 5 DEBDHM CC/C=C/C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000451774786 405032407 /nfs/dbraw/zinc/03/24/07/405032407.db2.gz NNGDLEHYWFIWRG-ONEGZZNKSA-N -1 3 304.755 2.493 20 5 DEBDHM CC[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000451812184 405048920 /nfs/dbraw/zinc/04/89/20/405048920.db2.gz SIDKLCQGVURDFY-BDAKNGLRSA-N -1 3 302.327 2.058 20 5 DEBDHM O=C(c1n[n-]c2ccc([N+](=O)[O-])cc21)N1CCc2ccncc21 ZINC000354149068 405068484 /nfs/dbraw/zinc/06/84/84/405068484.db2.gz MVQALIAVABRQIX-UHFFFAOYSA-N -1 3 309.285 2.069 20 5 DEBDHM O=C([N-]c1nc(-c2cccnc2)cs1)c1c[nH]nc1[N+](=O)[O-] ZINC000577570615 405468620 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O=[N+]([O-])c1cnc(Sc2n[n-]c(-c3ccccc3F)n2)nc1 ZINC000302142847 230119470 /nfs/dbraw/zinc/11/94/70/230119470.db2.gz FVLIEYTVKKFKDR-UHFFFAOYSA-N -1 3 318.293 2.460 20 5 DEBDHM CC1(C)OCC[C@H]1[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000450636246 425078181 /nfs/dbraw/zinc/07/81/81/425078181.db2.gz DCEDWEBEGOEFDP-LLVKDONJSA-N -1 3 304.306 2.624 20 5 DEBDHM CO[C@@H]([C@H](C)[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000450857318 425082500 /nfs/dbraw/zinc/08/25/00/425082500.db2.gz JLMHLUPEQNPWAJ-ZANVPECISA-N -1 3 318.333 2.870 20 5 DEBDHM CO[C@H]([C@H](C)[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000450857317 425082707 /nfs/dbraw/zinc/08/27/07/425082707.db2.gz JLMHLUPEQNPWAJ-TVQRCGJNSA-N -1 3 318.333 2.870 20 5 DEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1F ZINC000339119200 302048797 /nfs/dbraw/zinc/04/87/97/302048797.db2.gz GXVULFFSHFBLPU-VHSXEESVSA-N -1 3 302.327 2.072 20 5 DEBDHM C[C@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000572964614 326004347 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CCCN(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821088444 599502175 /nfs/dbraw/zinc/50/21/75/599502175.db2.gz OKKOKIUAMNWLPG-UHFFFAOYSA-N -1 3 313.321 2.169 20 5 DEBDHM CCCN(C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821088444 599502176 /nfs/dbraw/zinc/50/21/76/599502176.db2.gz OKKOKIUAMNWLPG-UHFFFAOYSA-N -1 3 313.321 2.169 20 5 DEBDHM O=C([O-])NC[C@@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000834224310 605572214 /nfs/dbraw/zinc/57/22/14/605572214.db2.gz IQBGKTIOAMFWQW-PYEVWLCESA-N -1 3 305.334 2.198 20 5 DEBDHM CCCO[N-]C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000869084880 639075084 /nfs/dbraw/zinc/07/50/84/639075084.db2.gz LEYJMKFELGEMMK-UHFFFAOYSA-N -1 3 317.139 2.358 20 5 DEBDHM CC(C)C[C@@H]1CN(C)CCN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000910373412 645426877 /nfs/dbraw/zinc/42/68/77/645426877.db2.gz DGHGYJBQYXJJHD-CYBMUJFWSA-N -1 3 321.377 2.460 20 5 DEBDHM C[C@@H]1[C@@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CCN1C ZINC000910355897 645430044 /nfs/dbraw/zinc/43/00/44/645430044.db2.gz OTMSJXUCLZLOBG-UIALCFJWSA-N -1 3 305.334 2.197 20 5 DEBDHM COc1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1F ZINC000807702520 645978800 /nfs/dbraw/zinc/97/88/00/645978800.db2.gz XBTSAHIJHXFSRJ-UHFFFAOYSA-N -1 3 307.237 2.095 20 5 DEBDHM COC(=O)c1cc(C(=O)OCc2cccc([N+](=O)[O-])c2C)c[n-]1 ZINC000814529853 646900982 /nfs/dbraw/zinc/90/09/82/646900982.db2.gz ALFLJBCFPONIEV-UHFFFAOYSA-N -1 3 318.285 2.375 20 5 DEBDHM CC(C)(C)OC(=O)[C@@]1(C)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853679009 652588525 /nfs/dbraw/zinc/58/85/25/652588525.db2.gz UYEHTMDSHGTTCZ-HNNXBMFYSA-N -1 3 323.349 2.254 20 5 DEBDHM COC(=O)c1ccc([N+](=O)[O-])cc1NCc1ncccc1[O-] ZINC001169732099 785342772 /nfs/dbraw/zinc/34/27/72/785342772.db2.gz GNKJTEFYRKVSBS-UHFFFAOYSA-N -1 3 303.274 2.094 20 5 DEBDHM CCC(CC)C(=O)NCCN(CC)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100478772 792677102 /nfs/dbraw/zinc/67/71/02/792677102.db2.gz NGPPERSMZUHIJB-UHFFFAOYSA-N -1 3 324.381 2.074 20 5 DEBDHM CCC1(C(=O)NCCCNc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC001094716239 793046953 /nfs/dbraw/zinc/04/69/53/793046953.db2.gz NNHMAKTZCFXUTL-UHFFFAOYSA-N -1 3 322.365 2.194 20 5 DEBDHM CCOC(=O)c1nnsc1[N-]c1ccc(OC)c([N+](=O)[O-])c1 ZINC001176361290 794415777 /nfs/dbraw/zinc/41/57/77/794415777.db2.gz WWMQJJWDTUYXAE-UHFFFAOYSA-N -1 3 324.318 2.375 20 5 DEBDHM Cc1cc(=O)[n-]c([C@@H](C)N2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001116859694 794994213 /nfs/dbraw/zinc/99/42/13/794994213.db2.gz ALOMYDIQDXTWQK-SNVBAGLBSA-N -1 3 300.318 2.476 20 5 DEBDHM O=c1[n-]ccc(NCc2ccnc(OCC3CC3)c2)c1[N+](=O)[O-] ZINC001185263989 796224754 /nfs/dbraw/zinc/22/47/54/796224754.db2.gz UPMLMMUQQPQBCF-UHFFFAOYSA-N -1 3 316.317 2.491 20 5 DEBDHM CCOC(=O)c1ncc(Nc2cc([O-])cc([N+](=O)[O-])c2)cn1 ZINC001199828889 798543833 /nfs/dbraw/zinc/54/38/33/798543833.db2.gz XOQDOIXGPQTBLC-UHFFFAOYSA-N -1 3 304.262 2.011 20 5 DEBDHM Cc1cc(Cl)c(NCCCc2c[n-][nH]c2=O)c([N+](=O)[O-])c1 ZINC001164409249 799594182 /nfs/dbraw/zinc/59/41/82/799594182.db2.gz WLFCBOYRIWOQDS-VIFPVBQESA-N -1 3 310.741 2.481 20 5 DEBDHM Cc1nc(O[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c(C)c(=O)[n-]1 ZINC001229683599 801304877 /nfs/dbraw/zinc/30/48/77/801304877.db2.gz IBZFSZHXXZRXCO-ZDUSSCGKSA-N -1 3 301.302 2.253 20 5 DEBDHM CC(=O)c1cnc(=O)[n-]c1O[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001226238803 803076520 /nfs/dbraw/zinc/07/65/20/803076520.db2.gz YOGJLPISOQCZID-SECBINFHSA-N -1 3 303.274 2.433 20 5 DEBDHM Cc1c([C@H](C)Oc2ncc([N+](=O)[O-])c3nc[n-]c32)cnn1C ZINC001227693075 803268143 /nfs/dbraw/zinc/26/81/43/803268143.db2.gz KEQXDHLHBUJDQT-QMMMGPOBSA-N -1 3 302.294 2.048 20 5 DEBDHM COC(=O)[C@@]1(C)C[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227742783 803273933 /nfs/dbraw/zinc/27/39/33/803273933.db2.gz CXVAFVAGOKCAET-DEZZCRIOSA-N -1 3 305.290 2.192 20 5 DEBDHM COC(=O)[C@@]1(C)C[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227742783 803273936 /nfs/dbraw/zinc/27/39/36/803273936.db2.gz CXVAFVAGOKCAET-DEZZCRIOSA-N -1 3 305.290 2.192 20 5 DEBDHM C[C@H](O)C(=O)Oc1c2ccccc2c([O-])c2c(O)ccc(O)c12 ZINC001228174961 803328303 /nfs/dbraw/zinc/32/83/03/803328303.db2.gz XGOAIABTVDXCLP-QMMMGPOBSA-N -1 3 314.293 2.396 20 5 DEBDHM CCOC(=O)[C@@H]1CCC[C@@H]1Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228686037 803394687 /nfs/dbraw/zinc/39/46/87/803394687.db2.gz LLBJZAWOOPLBLU-ZJUUUORDSA-N -1 3 310.306 2.114 20 5 DEBDHM C[C@H]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001576156988 949470453 /nfs/dbraw/zinc/47/04/53/949470453.db2.gz OOAKUCBMQLQMAF-IUCAKERBSA-N -1 3 317.353 2.205 20 5 DEBDHM C[C@H]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001576156988 949470467 /nfs/dbraw/zinc/47/04/67/949470467.db2.gz OOAKUCBMQLQMAF-IUCAKERBSA-N -1 3 317.353 2.205 20 5 DEBDHM COc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001599622383 994102082 /nfs/dbraw/zinc/10/20/82/994102082.db2.gz JLSMMHMCYXQXEB-BONVTDFDSA-N -1 3 308.334 2.146 20 5 DEBDHM CC(C)[C@@H](Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CC1 ZINC001603230870 1069916742 /nfs/dbraw/zinc/91/67/42/1069916742.db2.gz CMSPACDUGWXTOF-LLVKDONJSA-N -1 3 303.326 2.016 20 5 DEBDHM CC(C)[C@@H](Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CC1 ZINC001603230870 1069916746 /nfs/dbraw/zinc/91/67/46/1069916746.db2.gz CMSPACDUGWXTOF-LLVKDONJSA-N -1 3 303.326 2.016 20 5 DEBDHM C[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC001603861954 1070125419 /nfs/dbraw/zinc/12/54/19/1070125419.db2.gz OPJAYEJFHRXRON-DOFRTFSJSA-N -1 3 318.337 2.143 20 5 DEBDHM CCN1C[C@H](C)N(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H]1C ZINC001605468983 1070725200 /nfs/dbraw/zinc/72/52/00/1070725200.db2.gz BOYLXUAUMYZOMK-NEPJUHHUSA-N -1 3 321.377 2.208 20 5 DEBDHM Cc1cc(NC/C=C/C2CC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605729822 1070883134 /nfs/dbraw/zinc/88/31/34/1070883134.db2.gz CMOAYOBBFQLSSA-NSCUHMNNSA-N -1 3 300.322 2.461 20 5 DEBDHM Cc1cc(NC/C=C/C2CC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605729822 1070883154 /nfs/dbraw/zinc/88/31/54/1070883154.db2.gz CMOAYOBBFQLSSA-NSCUHMNNSA-N -1 3 300.322 2.461 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCc1cccc(O)c1 ZINC001607081236 1071290232 /nfs/dbraw/zinc/29/02/32/1071290232.db2.gz CKNZPPYOLFGLJZ-UHFFFAOYSA-N -1 3 312.289 2.093 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCc1cccc(O)c1 ZINC001607081236 1071290239 /nfs/dbraw/zinc/29/02/39/1071290239.db2.gz CKNZPPYOLFGLJZ-UHFFFAOYSA-N -1 3 312.289 2.093 20 5 DEBDHM O=[N+]([O-])c1ccc(N2CC(CC3CC3)C2)c(-c2nnn[n-]2)c1 ZINC001607081355 1071290385 /nfs/dbraw/zinc/29/03/85/1071290385.db2.gz HUPBITIXBJYYNR-UHFFFAOYSA-N -1 3 300.322 2.011 20 5 DEBDHM O=[N+]([O-])c1ccc(N2CC(CC3CC3)C2)c(-c2nn[n-]n2)c1 ZINC001607081355 1071290394 /nfs/dbraw/zinc/29/03/94/1071290394.db2.gz HUPBITIXBJYYNR-UHFFFAOYSA-N -1 3 300.322 2.011 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1Nc1cccc(CO)c1 ZINC001607084578 1071293131 /nfs/dbraw/zinc/29/31/31/1071293131.db2.gz NUMHXDHHHMSTMF-UHFFFAOYSA-N -1 3 312.289 2.011 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1Nc1cccc(CO)c1 ZINC001607084578 1071293138 /nfs/dbraw/zinc/29/31/38/1071293138.db2.gz NUMHXDHHHMSTMF-UHFFFAOYSA-N -1 3 312.289 2.011 20 5 DEBDHM Cn1cnc([N+](=O)[O-])c1[N-]C(=O)c1noc2c1CC(C)(C)CC2 ZINC001532651842 1071698007 /nfs/dbraw/zinc/69/80/07/1071698007.db2.gz IHHJHWPRQHHHFA-UHFFFAOYSA-N -1 3 319.321 2.084 20 5 DEBDHM CCc1nn(C)cc1NCc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC001462171803 1058773103 /nfs/dbraw/zinc/77/31/03/1058773103.db2.gz HDSAMCOTJLDVJI-UHFFFAOYSA-N -1 3 306.322 2.217 20 5 DEBDHM C[C@H]1Cc2cc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)ccc2O1 ZINC001611674924 1078105061 /nfs/dbraw/zinc/10/50/61/1078105061.db2.gz YTHXWZMYTXTRCK-QMMMGPOBSA-N -1 3 315.285 2.271 20 5 DEBDHM CC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])cn2C)c1[O-] ZINC001569924834 1065826696 /nfs/dbraw/zinc/82/66/96/1065826696.db2.gz IFVQTYRGONOGEN-UHFFFAOYSA-N -1 3 303.274 2.094 20 5 DEBDHM CCNC(=O)c1cccc(Oc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001639195115 1078599780 /nfs/dbraw/zinc/59/97/80/1078599780.db2.gz NEUJVJHETOCRNZ-UHFFFAOYSA-N -1 3 303.274 2.237 20 5 DEBDHM Cc1ccc([N+](=O)[O-])c(N2Cc3nc(C4CC4)[n-]c(=O)c3C2)n1 ZINC001643129536 1078786656 /nfs/dbraw/zinc/78/66/56/1078786656.db2.gz BHUQEYGPKHIWQW-UHFFFAOYSA-N -1 3 313.317 2.191 20 5 DEBDHM CC(C)[C@@]1(C)C[C@@H]1Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589489884 1076491536 /nfs/dbraw/zinc/49/15/36/1076491536.db2.gz FDYYBCXDSFGGAI-GXFFZTMASA-N -1 3 303.326 2.016 20 5 DEBDHM CC(C)[C@@]1(C)C[C@@H]1Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589489884 1076491538 /nfs/dbraw/zinc/49/15/38/1076491538.db2.gz FDYYBCXDSFGGAI-GXFFZTMASA-N -1 3 303.326 2.016 20 5 DEBDHM CC(C)[C@@H]1C[C@H]1CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001589763302 1076511198 /nfs/dbraw/zinc/51/11/98/1076511198.db2.gz BAINMGAIKWBURY-CABZTGNLSA-N -1 3 302.338 2.479 20 5 DEBDHM CCC1(CC)CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590494787 1076640632 /nfs/dbraw/zinc/64/06/32/1076640632.db2.gz YCMVECNDVZRJGB-UHFFFAOYSA-N -1 3 302.338 2.401 20 5 DEBDHM CCC1(CC)CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590494787 1076640634 /nfs/dbraw/zinc/64/06/34/1076640634.db2.gz YCMVECNDVZRJGB-UHFFFAOYSA-N -1 3 302.338 2.401 20 5 DEBDHM CC[C@@H]1CCCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001590513726 1076645756 /nfs/dbraw/zinc/64/57/56/1076645756.db2.gz WUXKZBCFVIYNBT-SNVBAGLBSA-N -1 3 302.338 2.401 20 5 DEBDHM CC[C@@H]1CCCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001590513726 1076645761 /nfs/dbraw/zinc/64/57/61/1076645761.db2.gz WUXKZBCFVIYNBT-SNVBAGLBSA-N -1 3 302.338 2.401 20 5 DEBDHM Cc1cccc2c1CCN2c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592244785 1076880390 /nfs/dbraw/zinc/88/03/90/1076880390.db2.gz KDSNPGDQJCIUHP-UHFFFAOYSA-N -1 3 323.316 2.173 20 5 DEBDHM Cc1cccc2c1CCN2c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592244785 1076880393 /nfs/dbraw/zinc/88/03/93/1076880393.db2.gz KDSNPGDQJCIUHP-UHFFFAOYSA-N -1 3 323.316 2.173 20 5 DEBDHM Cc1ccoc1CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001592284317 1076890718 /nfs/dbraw/zinc/89/07/18/1076890718.db2.gz WCEBDASRQYDOBV-UHFFFAOYSA-N -1 3 300.278 2.288 20 5 DEBDHM Cc1ccoc1CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001592284317 1076890722 /nfs/dbraw/zinc/89/07/22/1076890722.db2.gz WCEBDASRQYDOBV-UHFFFAOYSA-N -1 3 300.278 2.288 20 5 DEBDHM O=Cc1ccc(Oc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])cc1 ZINC001593415689 1077004821 /nfs/dbraw/zinc/00/48/21/1077004821.db2.gz FGVCMSQXSRSDGO-UHFFFAOYSA-N -1 3 311.257 2.380 20 5 DEBDHM O=Cc1ccc(Oc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])cc1 ZINC001593415689 1077004826 /nfs/dbraw/zinc/00/48/26/1077004826.db2.gz FGVCMSQXSRSDGO-UHFFFAOYSA-N -1 3 311.257 2.380 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCCc1ccoc1 ZINC001593476163 1077007834 /nfs/dbraw/zinc/00/78/34/1077007834.db2.gz XQOJEVADVFPQKB-UHFFFAOYSA-N -1 3 300.278 2.023 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCCc1ccoc1 ZINC001593476163 1077007840 /nfs/dbraw/zinc/00/78/40/1077007840.db2.gz XQOJEVADVFPQKB-UHFFFAOYSA-N -1 3 300.278 2.023 20 5 DEBDHM O=[N+]([O-])c1ccc(N2CC[C@@]3(CC3(F)F)C2)c(-c2nnn[n-]2)c1 ZINC001593476784 1077008275 /nfs/dbraw/zinc/00/82/75/1077008275.db2.gz ZHQNJYLCXJJTKG-GFCCVEGCSA-N -1 3 322.275 2.010 20 5 DEBDHM O=[N+]([O-])c1ccc(N2CC[C@@]3(CC3(F)F)C2)c(-c2nn[n-]n2)c1 ZINC001593476784 1077008279 /nfs/dbraw/zinc/00/82/79/1077008279.db2.gz ZHQNJYLCXJJTKG-GFCCVEGCSA-N -1 3 322.275 2.010 20 5 DEBDHM O=[N+]([O-])c1ccc(N2CC(C3CCCC3)C2)c(-c2nnn[n-]2)c1 ZINC001593476791 1077008374 /nfs/dbraw/zinc/00/83/74/1077008374.db2.gz ZPYCEOPARIVZHP-UHFFFAOYSA-N -1 3 314.349 2.401 20 5 DEBDHM O=[N+]([O-])c1ccc(N2CC(C3CCCC3)C2)c(-c2nn[n-]n2)c1 ZINC001593476791 1077008379 /nfs/dbraw/zinc/00/83/79/1077008379.db2.gz ZPYCEOPARIVZHP-UHFFFAOYSA-N -1 3 314.349 2.401 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC[C@]12C[C@H]1CCC2 ZINC001593483574 1077009185 /nfs/dbraw/zinc/00/91/85/1077009185.db2.gz WIEOAVSHSSXEAN-OTYXRUKQSA-N -1 3 300.322 2.377 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC[C@]12C[C@H]1CCC2 ZINC001593483574 1077009190 /nfs/dbraw/zinc/00/91/90/1077009190.db2.gz WIEOAVSHSSXEAN-OTYXRUKQSA-N -1 3 300.322 2.377 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCC[C@@H](CCF)C1 ZINC001593480269 1077010468 /nfs/dbraw/zinc/01/04/68/1077010468.db2.gz HTIYHZCJSAZBGT-JTQLQIEISA-N -1 3 320.328 2.351 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCC[C@@H](CCF)C1 ZINC001593480269 1077010472 /nfs/dbraw/zinc/01/04/72/1077010472.db2.gz HTIYHZCJSAZBGT-JTQLQIEISA-N -1 3 320.328 2.351 20 5 DEBDHM COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(O)cc2[O-])c1 ZINC001593694781 1077048226 /nfs/dbraw/zinc/04/82/26/1077048226.db2.gz ZRWFFXRSTTVSLR-UHFFFAOYSA-N -1 3 304.258 2.267 20 5 DEBDHM Cc1nn(CN(CC(C)C)CC(C)(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC001608011658 1077576954 /nfs/dbraw/zinc/57/69/54/1077576954.db2.gz PDJXDAINURHNGE-UHFFFAOYSA-N -1 3 312.370 2.126 20 5 DEBDHM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H]2CCN2C2CCCC2)n1 ZINC001608915192 1077720119 /nfs/dbraw/zinc/72/01/19/1077720119.db2.gz IWPDYKPBJPKLFR-NSHDSACASA-N -1 3 320.349 2.117 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@H]1CCC[C@H](F)C1 ZINC001609602797 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/nfs/dbraw/zinc/05/91/38/599059138.db2.gz HPXJGWGSLMHIQI-UHFFFAOYSA-N -1 3 318.293 2.460 20 5 DEBDHM O=[N+]([O-])c1cccnc1Sc1ccc(-c2nn[n-]n2)cc1F ZINC000823647183 599059140 /nfs/dbraw/zinc/05/91/40/599059140.db2.gz HPXJGWGSLMHIQI-UHFFFAOYSA-N -1 3 318.293 2.460 20 5 DEBDHM Cc1cnc(NCc2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC000822394929 599105262 /nfs/dbraw/zinc/10/52/62/599105262.db2.gz KYXGMAVAUAQKGT-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1cnc(NCc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000822394929 599105267 /nfs/dbraw/zinc/10/52/67/599105267.db2.gz KYXGMAVAUAQKGT-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM O=[N+]([O-])c1cc(NC(C2CC2)C2CC2)ccc1-c1nnn[n-]1 ZINC000826498025 607840057 /nfs/dbraw/zinc/84/00/57/607840057.db2.gz DTVIPWKBZBPVFG-UHFFFAOYSA-N -1 3 300.322 2.375 20 5 DEBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c2ccccc21 ZINC000736290473 598498573 /nfs/dbraw/zinc/49/85/73/598498573.db2.gz ANBMHCCBPOATTC-SECBINFHSA-N -1 3 323.316 2.425 20 5 DEBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c2ccccc21 ZINC000736290473 598498575 /nfs/dbraw/zinc/49/85/75/598498575.db2.gz ANBMHCCBPOATTC-SECBINFHSA-N -1 3 323.316 2.425 20 5 DEBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1cccnc1 ZINC000737196488 598503903 /nfs/dbraw/zinc/50/39/03/598503903.db2.gz LZRQQSMWHMLXON-VIFPVBQESA-N -1 3 311.305 2.343 20 5 DEBDHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1cccnc1 ZINC000737196488 598503905 /nfs/dbraw/zinc/50/39/05/598503905.db2.gz LZRQQSMWHMLXON-VIFPVBQESA-N -1 3 311.305 2.343 20 5 DEBDHM O=C(Nc1ccccc1-c1nnn[n-]1)c1csc([N+](=O)[O-])c1 ZINC000738192477 598573722 /nfs/dbraw/zinc/57/37/22/598573722.db2.gz QYDWDOFNZSNFSK-UHFFFAOYSA-N -1 3 316.302 2.089 20 5 DEBDHM O=C(Nc1ccccc1-c1nn[n-]n1)c1csc([N+](=O)[O-])c1 ZINC000738192477 598573724 /nfs/dbraw/zinc/57/37/24/598573724.db2.gz QYDWDOFNZSNFSK-UHFFFAOYSA-N -1 3 316.302 2.089 20 5 DEBDHM C[C@@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@@H]1C ZINC000820697705 599447240 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606969803 /nfs/dbraw/zinc/96/98/03/606969803.db2.gz XILQDLZNEPNKTL-UHFFFAOYSA-N -1 3 324.300 2.052 20 5 DEBDHM CN(C(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1-c1nn[n-]n1 ZINC000821574791 606969804 /nfs/dbraw/zinc/96/98/04/606969804.db2.gz XILQDLZNEPNKTL-UHFFFAOYSA-N -1 3 324.300 2.052 20 5 DEBDHM CCc1sc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c(C(N)=O)c1C ZINC000770717759 641412018 /nfs/dbraw/zinc/41/20/18/641412018.db2.gz ZCWXIQAXCXCTBP-UHFFFAOYSA-N -1 3 323.330 2.471 20 5 DEBDHM Cn1cccc1CN[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000901937429 642835277 /nfs/dbraw/zinc/83/52/77/642835277.db2.gz CEZUKAOQSCKSBB-OAHLLOKOSA-N -1 3 303.318 2.023 20 5 DEBDHM C[C@@H](NCc1cnn(CCF)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000903274257 643306898 /nfs/dbraw/zinc/30/68/98/643306898.db2.gz KWHYNZMJQJLXMS-SNVBAGLBSA-N -1 3 308.313 2.317 20 5 DEBDHM COc1cc(C(=O)[N-]c2nc(C3CC3)no2)cc([N+](=O)[O-])c1C ZINC000792331751 644106391 /nfs/dbraw/zinc/10/63/91/644106391.db2.gz DRENIMKBTGXISX-UHFFFAOYSA-N -1 3 318.289 2.425 20 5 DEBDHM O=C([N-]c1nc2ccc(Cl)nc2s1)c1n[nH]cc1[N+](=O)[O-] ZINC000798129778 644969700 /nfs/dbraw/zinc/96/97/00/644969700.db2.gz HKHWCQQZLIQDCO-UHFFFAOYSA-N -1 3 324.709 2.228 20 5 DEBDHM O=C([N-]OC/C=C/Cl)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000812403489 646649422 /nfs/dbraw/zinc/64/94/22/646649422.db2.gz OASOWRNTKJYLJU-DAFODLJHSA-N -1 3 323.692 2.263 20 5 DEBDHM O=C([O-])CCC1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000846225655 651316590 /nfs/dbraw/zinc/31/65/90/651316590.db2.gz PFJHJBFYJYKUII-HNNXBMFYSA-N -1 3 322.361 2.205 20 5 DEBDHM Cc1cc(F)cc(C(=O)[N-]c2nnc(C3CC3)n2C)c1[N+](=O)[O-] ZINC000855252796 651657372 /nfs/dbraw/zinc/65/73/72/651657372.db2.gz ODMDRXFUMLZJMI-UHFFFAOYSA-N -1 3 319.296 2.301 20 5 DEBDHM CC(C)(C)OC(=O)N1CC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853314801 652536584 /nfs/dbraw/zinc/53/65/84/652536584.db2.gz ODIYFBFBAOXRNO-SECBINFHSA-N -1 3 324.337 2.117 20 5 DEBDHM C=C/C=C/CC[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000882586203 691319164 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O=c1[nH][n-]cc1CCCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC001164374494 799587636 /nfs/dbraw/zinc/58/76/36/799587636.db2.gz MEGRVOZSQSUEJE-SNVBAGLBSA-N -1 3 313.317 2.067 20 5 DEBDHM COCC(COC)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233500094 802136143 /nfs/dbraw/zinc/13/61/43/802136143.db2.gz PZRXRVSFFDTAEZ-UHFFFAOYSA-N -1 3 315.713 2.165 20 5 DEBDHM CCOC(=O)[C@@H](Oc1c([O-])cccc1[N+](=O)[O-])C(F)(F)F ZINC001226340051 803094112 /nfs/dbraw/zinc/09/41/12/803094112.db2.gz MNUOUVSUECATLG-SECBINFHSA-N -1 3 309.196 2.173 20 5 DEBDHM Cc1cn2c(n1)[C@H](Oc1ncc([N+](=O)[O-])c3nc[n-]c31)CCC2 ZINC001227692148 803267436 /nfs/dbraw/zinc/26/74/36/803267436.db2.gz UQLBXFOROKBLTN-SNVBAGLBSA-N -1 3 314.305 2.285 20 5 DEBDHM O=[N+]([O-])c1cnc(O[C@H]2CC(F)(F)C2(F)F)c2[n-]cnc21 ZINC001227696375 803267822 /nfs/dbraw/zinc/26/78/22/803267822.db2.gz XKTWJEBEOZURAT-YFKPBYRVSA-N -1 3 306.175 2.288 20 5 DEBDHM CO[C@H](C)CO[C@@H](C)COc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227743865 803273955 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DEBDHM CC(C)OC[C@H](C(=O)[O-])N(C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001591712710 975610328 /nfs/dbraw/zinc/61/03/28/975610328.db2.gz WXLQJESJTQEFME-CYBMUJFWSA-N -1 3 314.313 2.044 20 5 DEBDHM CC1(C)[C@@H]2CN(Cc3ccc(OCC(=O)[O-])c([N+](=O)[O-])c3)C[C@@H]21 ZINC001593842590 996604720 /nfs/dbraw/zinc/60/47/20/996604720.db2.gz QXQNRRAOMLQKJI-TXEJJXNPSA-N -1 3 320.345 2.146 20 5 DEBDHM COc1cc(CNC(C)(C)CC(=O)[O-])c([N+](=O)[O-])cc1F ZINC001599416045 997512076 /nfs/dbraw/zinc/51/20/76/997512076.db2.gz LGDXZEQBIBIATQ-UHFFFAOYSA-N -1 3 300.286 2.085 20 5 DEBDHM CC1(C)CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1(C)C ZINC001603788434 1070102049 /nfs/dbraw/zinc/10/20/49/1070102049.db2.gz WCSPNAIRWKRMPS-UHFFFAOYSA-N -1 3 302.338 2.400 20 5 DEBDHM CC1(C)CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1(C)C ZINC001603788434 1070102051 /nfs/dbraw/zinc/10/20/51/1070102051.db2.gz WCSPNAIRWKRMPS-UHFFFAOYSA-N -1 3 302.338 2.400 20 5 DEBDHM CS[C@H](C)CNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001605368096 1070690174 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2.010 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CC[C@]2(CC2(F)F)C1 ZINC001607082752 1071290451 /nfs/dbraw/zinc/29/04/51/1071290451.db2.gz RNFQRQLMRQKXKA-LBPRGKRZSA-N -1 3 322.275 2.010 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CC[C@]2(CC2(F)F)C1 ZINC001607082752 1071290457 /nfs/dbraw/zinc/29/04/57/1071290457.db2.gz RNFQRQLMRQKXKA-LBPRGKRZSA-N -1 3 322.275 2.010 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CN1CCC[C@H]1C(F)F ZINC001607083462 1071293525 /nfs/dbraw/zinc/29/35/25/1071293525.db2.gz HEXZODODIHDBHY-NSHDSACASA-N -1 3 324.291 2.004 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CN1CCC[C@H]1C(F)F ZINC001607083462 1071293530 /nfs/dbraw/zinc/29/35/30/1071293530.db2.gz HEXZODODIHDBHY-NSHDSACASA-N -1 3 324.291 2.004 20 5 DEBDHM COc1cc(C(=O)[N-]c2nccc3ccc([N+](=O)[O-])cc32)on1 ZINC001531546977 1071532699 /nfs/dbraw/zinc/53/26/99/1071532699.db2.gz DVHBPQDHTLNXFX-UHFFFAOYSA-N -1 3 314.257 2.392 20 5 DEBDHM Cn1c(CNc2cc[n-]c(=O)c2[N+](=O)[O-])nc2cc(F)ccc21 ZINC001472702543 1060569701 /nfs/dbraw/zinc/56/97/01/1060569701.db2.gz GHNRHISDEJIRGF-UHFFFAOYSA-N -1 3 317.280 2.333 20 5 DEBDHM O=C([O-])COc1ccc(CN2CC[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC001610786317 1078076303 /nfs/dbraw/zinc/07/63/03/1078076303.db2.gz CVRCQWIDGRTQQS-ZDUSSCGKSA-N -1 3 320.345 2.290 20 5 DEBDHM O=C(Cc1ccc([O-])c(F)c1)NCc1cccc([N+](=O)[O-])c1 ZINC001629284267 1078313847 /nfs/dbraw/zinc/31/38/47/1078313847.db2.gz HBSASKUGORMCPE-UHFFFAOYSA-N -1 3 304.277 2.298 20 5 DEBDHM COc1nnc([N-]C(=O)c2cccc([N+](=O)[O-])c2Cl)s1 ZINC001631320125 1078362064 /nfs/dbraw/zinc/36/20/64/1078362064.db2.gz KHTLJXVXLOHQQP-UHFFFAOYSA-N -1 3 314.710 2.361 20 5 DEBDHM O=C([N-]c1cccc2n[nH]nc21)c1c(F)cccc1[N+](=O)[O-] ZINC001641119735 1078694463 /nfs/dbraw/zinc/69/44/63/1078694463.db2.gz VMROXCWTURZSPW-UHFFFAOYSA-N -1 3 301.237 2.258 20 5 DEBDHM CC1(C)C[C@@]1(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001671221506 1078948497 /nfs/dbraw/zinc/94/84/97/1078948497.db2.gz RKNOGOLCPDQSDR-ZDUSSCGKSA-N -1 3 316.354 2.448 20 5 DEBDHM C[C@@H](NC(=O)c1cccc2n[n-]nc21)c1ccc([N+](=O)[O-])cc1 ZINC001558301898 1075088009 /nfs/dbraw/zinc/08/80/09/1075088009.db2.gz MUZZNYZBLOSZQD-SECBINFHSA-N -1 3 311.301 2.357 20 5 DEBDHM Cc1conc1C[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001558342709 1075090360 /nfs/dbraw/zinc/09/03/60/1075090360.db2.gz XQTSOCYCIPYHQO-UHFFFAOYSA-N -1 3 311.244 2.299 20 5 DEBDHM C[C@@H]([N-]S(=O)(=O)c1cscn1)c1ccccc1[N+](=O)[O-] ZINC001561889444 1075156432 /nfs/dbraw/zinc/15/64/32/1075156432.db2.gz UBUNWPFHLUQVCA-MRVPVSSYSA-N -1 3 313.360 2.091 20 5 DEBDHM C[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccc([N+](=O)[O-])cc1 ZINC001580441971 1075924251 /nfs/dbraw/zinc/92/42/51/1075924251.db2.gz XOTYZBXONIAYTF-VIFPVBQESA-N -1 3 314.305 2.219 20 5 DEBDHM C[C@H](NCc1ccc(-c2nn[n-]n2)o1)c1ccc([N+](=O)[O-])cc1 ZINC001580441971 1075924255 /nfs/dbraw/zinc/92/42/55/1075924255.db2.gz XOTYZBXONIAYTF-VIFPVBQESA-N -1 3 314.305 2.219 20 5 DEBDHM CC(C)=C(C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589346662 1076487353 /nfs/dbraw/zinc/48/73/53/1076487353.db2.gz XTTDXQNGJGTVPD-UHFFFAOYSA-N -1 3 317.305 2.174 20 5 DEBDHM CC(C)=C(C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589346662 1076487357 /nfs/dbraw/zinc/48/73/57/1076487357.db2.gz XTTDXQNGJGTVPD-UHFFFAOYSA-N -1 3 317.305 2.174 20 5 DEBDHM CC1(C)C[C@]1(C)CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590087467 1076559516 /nfs/dbraw/zinc/55/95/16/1076559516.db2.gz SGLHAIJDVCUYKR-CYBMUJFWSA-N -1 3 303.326 2.018 20 5 DEBDHM CC1(C)C[C@]1(C)CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590087467 1076559517 /nfs/dbraw/zinc/55/95/17/1076559517.db2.gz SGLHAIJDVCUYKR-CYBMUJFWSA-N -1 3 303.326 2.018 20 5 DEBDHM CC1(C)CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590095190 1076562776 /nfs/dbraw/zinc/56/27/76/1076562776.db2.gz IYDHLGKURUJMHJ-VIFPVBQESA-N -1 3 317.353 2.408 20 5 DEBDHM CC1(C)CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590095190 1076562779 /nfs/dbraw/zinc/56/27/79/1076562779.db2.gz IYDHLGKURUJMHJ-VIFPVBQESA-N -1 3 317.353 2.408 20 5 DEBDHM C[C@]1(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCCCO1 ZINC001590133617 1076570740 /nfs/dbraw/zinc/57/07/40/1076570740.db2.gz GGJCZSHRZRIXMV-CQSZACIVSA-N -1 3 318.337 2.146 20 5 DEBDHM C[C@]1(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCCCO1 ZINC001590133617 1076570747 /nfs/dbraw/zinc/57/07/47/1076570747.db2.gz GGJCZSHRZRIXMV-CQSZACIVSA-N -1 3 318.337 2.146 20 5 DEBDHM C[C@H]1OCC[C@H]1SCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590335048 1076613131 /nfs/dbraw/zinc/61/31/31/1076613131.db2.gz GCTCAYPMDOESIA-PRHODGIISA-N -1 3 321.362 2.186 20 5 DEBDHM C[C@H]1OCC[C@H]1SCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590335048 1076613133 /nfs/dbraw/zinc/61/31/33/1076613133.db2.gz GCTCAYPMDOESIA-PRHODGIISA-N -1 3 321.362 2.186 20 5 DEBDHM CC[C@@H](C)[C@H](C)Nc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001590400735 1076620537 /nfs/dbraw/zinc/62/05/37/1076620537.db2.gz SHBKMCOXECQXEI-SFYZADRCSA-N -1 3 305.342 2.204 20 5 DEBDHM CC[C@@H](C)[C@H](C)Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001590400735 1076620540 /nfs/dbraw/zinc/62/05/40/1076620540.db2.gz SHBKMCOXECQXEI-SFYZADRCSA-N -1 3 305.342 2.204 20 5 DEBDHM Cc1nc(NCc2ccccc2[N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001592395556 1076909168 /nfs/dbraw/zinc/90/91/68/1076909168.db2.gz HZLXVYAKYRSPKV-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1nc(NCc2ccccc2[N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001592395556 1076909172 /nfs/dbraw/zinc/90/91/72/1076909172.db2.gz HZLXVYAKYRSPKV-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1Oc1ccc(F)c(F)c1 ZINC001593473062 1077006734 /nfs/dbraw/zinc/00/67/34/1077006734.db2.gz IKTIWIAXJIDDQW-UHFFFAOYSA-N -1 3 320.215 2.240 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1Oc1ccc(F)c(F)c1 ZINC001593473062 1077006736 /nfs/dbraw/zinc/00/67/36/1077006736.db2.gz IKTIWIAXJIDDQW-UHFFFAOYSA-N -1 3 320.215 2.240 20 5 DEBDHM O=[N+]([O-])c1cc(NCCOCC2CCC2)ccc1-c1nnn[n-]1 ZINC001593474501 1077008771 /nfs/dbraw/zinc/00/87/71/1077008771.db2.gz QSHNBTDWFKLSBQ-UHFFFAOYSA-N -1 3 318.337 2.004 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC[C@@H]1C[C@H]1C1CC1 ZINC001593483543 1077009288 /nfs/dbraw/zinc/00/92/88/1077009288.db2.gz UYOCWPNWPUVDLA-ONGXEEELSA-N -1 3 300.322 2.233 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC[C@@H]1C[C@H]1C1CC1 ZINC001593483543 1077009292 /nfs/dbraw/zinc/00/92/92/1077009292.db2.gz UYOCWPNWPUVDLA-ONGXEEELSA-N -1 3 300.322 2.233 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC001593482065 1077009583 /nfs/dbraw/zinc/00/95/83/1077009583.db2.gz WOWSTXAIEZHDJB-MIMYLULJSA-N -1 3 300.322 2.375 20 5 DEBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC001593482065 1077009588 /nfs/dbraw/zinc/00/95/88/1077009588.db2.gz WOWSTXAIEZHDJB-MIMYLULJSA-N -1 3 300.322 2.375 20 5 DEBDHM O=[N+]([O-])c1ccc(Oc2ncc(-c3nnn[n-]3)cc2F)cc1 ZINC001593479764 1077010104 /nfs/dbraw/zinc/01/01/04/1077010104.db2.gz VREKHRJNQLHEFY-UHFFFAOYSA-N -1 3 302.225 2.101 20 5 DEBDHM O=[N+]([O-])c1ccc(Oc2ncc(-c3nn[n-]n3)cc2F)cc1 ZINC001593479764 1077010107 /nfs/dbraw/zinc/01/01/07/1077010107.db2.gz VREKHRJNQLHEFY-UHFFFAOYSA-N -1 3 302.225 2.101 20 5 DEBDHM O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)[N-]OCc1cccnc1 ZINC001596692399 1077082190 /nfs/dbraw/zinc/08/21/90/1077082190.db2.gz HVSWQOYFAXWMCO-UHFFFAOYSA-N -1 3 321.720 2.434 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCc1cccs1 ZINC001609601669 1077882443 /nfs/dbraw/zinc/88/24/43/1077882443.db2.gz UHEBHVKGOCESSQ-UHFFFAOYSA-N -1 3 302.319 2.449 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCc1cccs1 ZINC001609601669 1077882446 /nfs/dbraw/zinc/88/24/46/1077882446.db2.gz UHEBHVKGOCESSQ-UHFFFAOYSA-N -1 3 302.319 2.449 20 5 DEBDHM CN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC001610118033 1077982906 /nfs/dbraw/zinc/98/29/06/1077982906.db2.gz KMZBZCFOIIQMCP-JOCQHMNTSA-N -1 3 308.334 2.028 20 5 DEBDHM O=C(Nc1cncc(C(F)F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001650628744 1079765243 /nfs/dbraw/zinc/76/52/43/1079765243.db2.gz YAUZBSIHZMOTKX-UHFFFAOYSA-N -1 3 310.216 2.280 20 5 DEBDHM Cc1nc2c(c(=O)[n-]1)CN(c1c3ccccc3ncc1[N+](=O)[O-])C2 ZINC001651301942 1079801245 /nfs/dbraw/zinc/80/12/45/1079801245.db2.gz UDMFNLBJBHXLFI-UHFFFAOYSA-N -1 3 323.312 2.467 20 5 DEBDHM COc1cc(CNCc2cc(C)c[nH]c2=O)c([N+](=O)[O-])cc1[O-] ZINC001657082373 1080153620 /nfs/dbraw/zinc/15/36/20/1080153620.db2.gz TWHDWUQDOCZBLN-UHFFFAOYSA-N -1 3 319.317 2.008 20 5 DEBDHM COc1cc(CNCc2cc(C3CC3)no2)c([N+](=O)[O-])cc1[O-] ZINC001657980731 1080192763 /nfs/dbraw/zinc/19/27/63/1080192763.db2.gz MTNBMYCQOGRCBX-UHFFFAOYSA-N -1 3 319.317 2.464 20 5 DEBDHM C[C@H](Nc1ncc([N+](=O)[O-])cc1F)c1nc(C(F)(F)F)n[n-]1 ZINC001307219287 1139829325 /nfs/dbraw/zinc/82/93/25/1139829325.db2.gz LAZUXGOWIFYZBR-BYPYZUCNSA-N -1 3 320.206 2.439 20 5 DEBDHM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc(C)n1 ZINC001319257855 1140536503 /nfs/dbraw/zinc/53/65/03/1140536503.db2.gz NEATXFJXKIOGJH-UHFFFAOYSA-N -1 3 321.358 2.138 20 5 DEBDHM COc1ccc(CN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])cc1F ZINC001306926294 1147393775 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COc1cc(-c2noc(-c3ccc([N+](=O)[O-])n3C)n2)ccc1[O-] ZINC000350578913 356544109 /nfs/dbraw/zinc/54/41/09/356544109.db2.gz XGVHXDHZRHTCFC-UHFFFAOYSA-N -1 3 316.273 2.365 20 5 DEBDHM O=[N+]([O-])c1ccccc1N1CCN(Cc2ncccc2[O-])CC1 ZINC000579290590 356951086 /nfs/dbraw/zinc/95/10/86/356951086.db2.gz ZZPBYSUVNXTDMW-UHFFFAOYSA-N -1 3 314.345 2.018 20 5 DEBDHM CCN1CCCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC000592968567 357979156 /nfs/dbraw/zinc/97/91/56/357979156.db2.gz RJYJLMWHKDFDLN-UHFFFAOYSA-N -1 3 307.350 2.133 20 5 DEBDHM O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1[O-] ZINC000594417265 358263016 /nfs/dbraw/zinc/26/30/16/358263016.db2.gz BKWSEULROUMHHW-OLZOCXBDSA-N -1 3 319.361 2.047 20 5 DEBDHM COc1ccc(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])c(OC)c1 ZINC000596094023 358609502 /nfs/dbraw/zinc/60/95/02/358609502.db2.gz HABBGARPQDZIKW-UHFFFAOYSA-N -1 3 319.317 2.367 20 5 DEBDHM Cc1cc(N2CCC(c3n[n-]c(=O)o3)CC2)c([N+](=O)[O-])s1 ZINC000596227688 358645678 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CO[C@H]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826146680 608417918 /nfs/dbraw/zinc/41/79/18/608417918.db2.gz ZSDXGRKDNFRKJY-ZANVPECISA-N -1 3 318.337 2.002 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCC[C@H]1CCCCO1 ZINC000826497295 609581357 /nfs/dbraw/zinc/58/13/57/609581357.db2.gz BOBXLWGLHSSBAC-LLVKDONJSA-N -1 3 318.337 2.146 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCC[C@H]1CCCCO1 ZINC000826497295 609581359 /nfs/dbraw/zinc/58/13/59/609581359.db2.gz BOBXLWGLHSSBAC-LLVKDONJSA-N -1 3 318.337 2.146 20 5 DEBDHM COCCN(Cc1ccc([O-])c(OC)c1[N+](=O)[O-])CC(F)F ZINC000891903374 624656042 /nfs/dbraw/zinc/65/60/42/624656042.db2.gz KVWXBLJXEYQBHS-UHFFFAOYSA-N -1 3 320.292 2.023 20 5 DEBDHM CC[C@@H]1CN(CC)CCN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000910374350 645426766 /nfs/dbraw/zinc/42/67/66/645426766.db2.gz IMKWACLRYPQRGQ-LLVKDONJSA-N -1 3 307.350 2.214 20 5 DEBDHM CCOc1cc(C(=O)[N-]c2cnsn2)c([N+](=O)[O-])cc1OC ZINC000823872435 648494906 /nfs/dbraw/zinc/49/49/06/648494906.db2.gz CTIKZSNBUOUNPM-UHFFFAOYSA-N -1 3 324.318 2.106 20 5 DEBDHM Cc1c(NC(=O)c2nnc3ccccc3c2[O-])cccc1[N+](=O)[O-] ZINC000118303848 684071104 /nfs/dbraw/zinc/07/11/04/684071104.db2.gz YQZXXYVYSQNDAY-UHFFFAOYSA-N -1 3 324.296 2.392 20 5 DEBDHM CCC(CC)C(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001110065245 786148430 /nfs/dbraw/zinc/14/84/30/786148430.db2.gz FTMOMCJEVRYTHB-UHFFFAOYSA-N -1 3 322.365 2.192 20 5 DEBDHM CCCCCC(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094305247 792802894 /nfs/dbraw/zinc/80/28/94/792802894.db2.gz FZBWYKKCIXLGDW-UHFFFAOYSA-N -1 3 310.354 2.194 20 5 DEBDHM CC(C(=O)N(C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-])=C1CCC1 ZINC001101594151 793257974 /nfs/dbraw/zinc/25/79/74/793257974.db2.gz HDBVJYHTRDSQGI-UHFFFAOYSA-N -1 3 320.349 2.066 20 5 DEBDHM Cc1ccc2[nH]c(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)nc2c1 ZINC001183580062 795894851 /nfs/dbraw/zinc/89/48/51/795894851.db2.gz WIKFKNOVNSPCBU-UHFFFAOYSA-N -1 3 313.273 2.132 20 5 DEBDHM C[S@](=O)Cc1cccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001185386836 796246350 /nfs/dbraw/zinc/24/63/50/796246350.db2.gz IMZPNPQNRQIFRR-NRFANRHFSA-N -1 3 307.331 2.318 20 5 DEBDHM CN1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1C(C)(C)C ZINC001195677616 797936934 /nfs/dbraw/zinc/93/69/34/797936934.db2.gz ORHZMRRYKFTSJH-OAHLLOKOSA-N -1 3 307.394 2.463 20 5 DEBDHM CCOC(=O)c1ncncc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199819578 798536389 /nfs/dbraw/zinc/53/63/89/798536389.db2.gz ZNJHINAKBXFYPI-UHFFFAOYSA-N -1 3 304.262 2.011 20 5 DEBDHM Cc1cc(N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c([N+](=O)[O-])s1 ZINC001164302609 799566118 /nfs/dbraw/zinc/56/61/18/799566118.db2.gz CDVCVIIGKBCKSG-SECBINFHSA-N -1 3 321.362 2.151 20 5 DEBDHM CC(C)CCC(=O)NCCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095468028 799614553 /nfs/dbraw/zinc/61/45/53/799614553.db2.gz NKZRLJXQJWSDTA-UHFFFAOYSA-N -1 3 324.381 2.074 20 5 DEBDHM CCOC(=O)[C@@H]1CC[C@H](Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])C1 ZINC001228688646 803395578 /nfs/dbraw/zinc/39/55/78/803395578.db2.gz LYRDZIJJIOLQKM-ZJUUUORDSA-N -1 3 310.306 2.114 20 5 DEBDHM CC[C@@H](NCc1cc(Br)c([N+](=O)[O-])s1)C(=O)[O-] ZINC001593607497 953442071 /nfs/dbraw/zinc/44/20/71/953442071.db2.gz BYOFSQFGWDJEML-SSDOTTSWSA-N -1 3 323.168 2.372 20 5 DEBDHM CC(C)CCCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001603279334 1069929944 /nfs/dbraw/zinc/92/99/44/1069929944.db2.gz IMBSWIDZHCOTRR-UHFFFAOYSA-N -1 3 305.342 2.408 20 5 DEBDHM CC(C)CCCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001603279334 1069929951 /nfs/dbraw/zinc/92/99/51/1069929951.db2.gz IMBSWIDZHCOTRR-UHFFFAOYSA-N -1 3 305.342 2.408 20 5 DEBDHM CC1(CC(F)F)CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001603798275 1070105098 /nfs/dbraw/zinc/10/50/98/1070105098.db2.gz MBPRZYSKPYNDPH-UHFFFAOYSA-N -1 3 324.291 2.256 20 5 DEBDHM CC1(CC(F)F)CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001603798275 1070105104 /nfs/dbraw/zinc/10/51/04/1070105104.db2.gz MBPRZYSKPYNDPH-UHFFFAOYSA-N -1 3 324.291 2.256 20 5 DEBDHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001604835829 1070509732 /nfs/dbraw/zinc/50/97/32/1070509732.db2.gz UONYSZGWTWTMNP-RZGXBDKHSA-N -1 3 308.334 2.195 20 5 DEBDHM Cc1cc(N[C@@H]2CCSC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605724095 1070881072 /nfs/dbraw/zinc/88/10/72/1070881072.db2.gz TVWGCLCMGPIDMD-MRVPVSSYSA-N -1 3 306.351 2.001 20 5 DEBDHM Cc1cc(N[C@@H]2CCSC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605724095 1070881087 /nfs/dbraw/zinc/88/10/87/1070881087.db2.gz TVWGCLCMGPIDMD-MRVPVSSYSA-N -1 3 306.351 2.001 20 5 DEBDHM Cc1ccc(CCNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)o1 ZINC001605842956 1070939993 /nfs/dbraw/zinc/93/99/93/1070939993.db2.gz CXCWLEJUKFGPNF-UHFFFAOYSA-N -1 3 314.305 2.331 20 5 DEBDHM Cc1ccnc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC001605954656 1070988109 /nfs/dbraw/zinc/98/81/09/1070988109.db2.gz MQVUBYZAJQFHHD-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1ccnc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC001605954656 1070988114 /nfs/dbraw/zinc/98/81/14/1070988114.db2.gz MQVUBYZAJQFHHD-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM COC/C(C)=C/CN[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001606792968 1071214536 /nfs/dbraw/zinc/21/45/36/1071214536.db2.gz FROAOXNKVMSWFY-USYSOWRXSA-N -1 3 308.334 2.077 20 5 DEBDHM C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1CC(=O)[O-] ZINC001607438868 1071443357 /nfs/dbraw/zinc/44/33/57/1071443357.db2.gz CMJGSZQEXBVTGK-NXEZZACHSA-N -1 3 319.317 2.279 20 5 DEBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1nnc(C)s1 ZINC001450716080 1056463246 /nfs/dbraw/zinc/46/32/46/1056463246.db2.gz RIARWDSNCURDLJ-UHFFFAOYSA-N -1 3 308.319 2.406 20 5 DEBDHM CC(C)OC(=O)c1cc(NC(=O)c2ccccc2[N+](=O)[O-])[n-]n1 ZINC001456331499 1057844870 /nfs/dbraw/zinc/84/48/70/1057844870.db2.gz KXXDOADJXNIUOJ-UHFFFAOYSA-N -1 3 318.289 2.135 20 5 DEBDHM CC(C)OC(=O)c1cc(NC(=O)c2ccccc2[N+](=O)[O-])n[n-]1 ZINC001456331499 1057844877 /nfs/dbraw/zinc/84/48/77/1057844877.db2.gz KXXDOADJXNIUOJ-UHFFFAOYSA-N -1 3 318.289 2.135 20 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/nfs/dbraw/zinc/49/94/67/1076499467.db2.gz DFOFJEDCJHVGQA-UHFFFAOYSA-N -1 3 317.353 2.408 20 5 DEBDHM C[C@H](Nc1ncccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC001589989531 1076542957 /nfs/dbraw/zinc/54/29/57/1076542957.db2.gz JRTYPZMGRAZEMI-VIFPVBQESA-N -1 3 311.305 2.343 20 5 DEBDHM C[C@H](Nc1ncccc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC001589989531 1076542963 /nfs/dbraw/zinc/54/29/63/1076542963.db2.gz JRTYPZMGRAZEMI-VIFPVBQESA-N -1 3 311.305 2.343 20 5 DEBDHM C[C@@H]1C[C@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CS1 ZINC001590207752 1076583933 /nfs/dbraw/zinc/58/39/33/1076583933.db2.gz UGWFDUYPRPKWAA-APPZFPTMSA-N -1 3 306.351 2.081 20 5 DEBDHM C[C@@H]1C[C@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CS1 ZINC001590207752 1076583937 /nfs/dbraw/zinc/58/39/37/1076583937.db2.gz UGWFDUYPRPKWAA-APPZFPTMSA-N -1 3 306.351 2.081 20 5 DEBDHM C[C@H]1CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C[C@H](C)S1 ZINC001590315392 1076610444 /nfs/dbraw/zinc/61/04/44/1076610444.db2.gz YQFXZURXWKVEAW-IUCAKERBSA-N -1 3 320.378 2.105 20 5 DEBDHM C[C@H]1CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C[C@H](C)S1 ZINC001590315392 1076610445 /nfs/dbraw/zinc/61/04/45/1076610445.db2.gz YQFXZURXWKVEAW-IUCAKERBSA-N -1 3 320.378 2.105 20 5 DEBDHM CON(CC(C)(C)C)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591464540 1076745436 /nfs/dbraw/zinc/74/54/36/1076745436.db2.gz IWMRNABRMAVNAH-UHFFFAOYSA-N -1 3 306.326 2.189 20 5 DEBDHM CON(CC(C)(C)C)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591464540 1076745440 /nfs/dbraw/zinc/74/54/40/1076745440.db2.gz IWMRNABRMAVNAH-UHFFFAOYSA-N -1 3 306.326 2.189 20 5 DEBDHM Cc1cc(N[C@@H]2[C@@H]3CCC[C@@H]32)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592039094 1076835427 /nfs/dbraw/zinc/83/54/27/1076835427.db2.gz ILWMWIHJVVFEFN-YFKFIEJBSA-N -1 3 300.322 2.294 20 5 DEBDHM Cc1cc(N[C@@H]2[C@@H]3CCC[C@@H]32)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592039094 1076835429 /nfs/dbraw/zinc/83/54/29/1076835429.db2.gz ILWMWIHJVVFEFN-YFKFIEJBSA-N -1 3 300.322 2.294 20 5 DEBDHM Cc1csc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC001592315161 1076895775 /nfs/dbraw/zinc/89/57/75/1076895775.db2.gz CMABBRBLFTYGBK-UHFFFAOYSA-N -1 3 317.334 2.152 20 5 DEBDHM Cc1csc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC001592315161 1076895779 /nfs/dbraw/zinc/89/57/79/1076895779.db2.gz CMABBRBLFTYGBK-UHFFFAOYSA-N -1 3 317.334 2.152 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC(CC2CC2)C1 ZINC001593468921 1077006256 /nfs/dbraw/zinc/00/62/56/1077006256.db2.gz WFISIPCBYDOFMF-UHFFFAOYSA-N -1 3 300.322 2.011 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC(CC2CC2)C1 ZINC001593468921 1077006261 /nfs/dbraw/zinc/00/62/61/1077006261.db2.gz WFISIPCBYDOFMF-UHFFFAOYSA-N -1 3 300.322 2.011 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1C[C@@H]2CCCC[C@@H]21 ZINC001593476628 1077007982 /nfs/dbraw/zinc/00/79/82/1077007982.db2.gz ZLJVUTVOCWBAQI-QWRGUYRKSA-N -1 3 300.322 2.154 20 5 DEBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1C[C@@H]2CCCC[C@@H]21 ZINC001593476628 1077007986 /nfs/dbraw/zinc/00/79/86/1077007986.db2.gz 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ZINC001609257120 1077817137 /nfs/dbraw/zinc/81/71/37/1077817137.db2.gz VHZKUMKZSRJOPH-UHFFFAOYSA-N -1 3 315.293 2.092 20 5 DEBDHM CS[C@@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001609369744 1077842740 /nfs/dbraw/zinc/84/27/40/1077842740.db2.gz KSDNAUCBVQYHBK-WCBMZHEXSA-N -1 3 320.378 2.471 20 5 DEBDHM Cc1nc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cs1 ZINC001609450595 1077862543 /nfs/dbraw/zinc/86/25/43/1077862543.db2.gz XKHQUGSJCGWOQD-UHFFFAOYSA-N -1 3 317.334 2.152 20 5 DEBDHM Cc1nc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cs1 ZINC001609450595 1077862544 /nfs/dbraw/zinc/86/25/44/1077862544.db2.gz XKHQUGSJCGWOQD-UHFFFAOYSA-N -1 3 317.334 2.152 20 5 DEBDHM O=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC001609591717 1077880262 /nfs/dbraw/zinc/88/02/62/1077880262.db2.gz UGBGKLSGQDWDKF-UHFFFAOYSA-N -1 3 311.257 2.380 20 5 DEBDHM O=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC001609591717 1077880265 /nfs/dbraw/zinc/88/02/65/1077880265.db2.gz UGBGKLSGQDWDKF-UHFFFAOYSA-N -1 3 311.257 2.380 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCC12CCC(CC1)C2 ZINC001609600395 1077881429 /nfs/dbraw/zinc/88/14/29/1077881429.db2.gz HJOFYPDPCAEXCU-UHFFFAOYSA-N -1 3 315.337 2.162 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCC12CCC(CC1)C2 ZINC001609600395 1077881431 /nfs/dbraw/zinc/88/14/31/1077881431.db2.gz HJOFYPDPCAEXCU-UHFFFAOYSA-N -1 3 315.337 2.162 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@H]1CCCSC1 ZINC001609599867 1077881557 /nfs/dbraw/zinc/88/15/57/1077881557.db2.gz FKXQWTVFFLKZMT-SECBINFHSA-N -1 3 320.378 2.330 20 5 DEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@H]1CCCSC1 ZINC001609599867 1077881558 /nfs/dbraw/zinc/88/15/58/1077881558.db2.gz FKXQWTVFFLKZMT-SECBINFHSA-N -1 3 320.378 2.330 20 5 DEBDHM C[C@@H]1C[C@H](C)CN1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001609841436 1077935290 /nfs/dbraw/zinc/93/52/90/1077935290.db2.gz QAQRVIJNHLCVRH-WDEREUQCSA-N -1 3 308.334 2.289 20 5 DEBDHM O=C(CNc1cc[n-]c(=O)c1[N+](=O)[O-])Nc1ccc(Cl)cc1 ZINC001650678709 1079767754 /nfs/dbraw/zinc/76/77/54/1079767754.db2.gz JZZDWXXKWWXOPW-UHFFFAOYSA-N -1 3 322.708 2.399 20 5 DEBDHM CCn1nc(C)c([N+](=O)[O-])c1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001652230967 1079859825 /nfs/dbraw/zinc/85/98/25/1079859825.db2.gz BGISQTNXYXNSTJ-UHFFFAOYSA-N -1 3 318.337 2.105 20 5 DEBDHM CCC(CC)C(=O)NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107041697 1080554545 /nfs/dbraw/zinc/55/45/45/1080554545.db2.gz OUJULLIAFDKIPB-WAYWQWQTSA-N -1 3 322.365 2.216 20 5 DEBDHM CCCc1nnc(-c2n[n-]c([N+](=O)[O-])c2Br)o1 ZINC001254000223 1083700283 /nfs/dbraw/zinc/70/02/83/1083700283.db2.gz HWFRCUCTELTQED-UHFFFAOYSA-N -1 3 302.088 2.083 20 5 DEBDHM CCCc1nnc(-c2[n-]nc([N+](=O)[O-])c2Br)o1 ZINC001254000223 1083700290 /nfs/dbraw/zinc/70/02/90/1083700290.db2.gz HWFRCUCTELTQED-UHFFFAOYSA-N -1 3 302.088 2.083 20 5 DEBDHM CC/C(C)=C/C(=O)N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001097180373 1083710165 /nfs/dbraw/zinc/71/01/65/1083710165.db2.gz KLAAEEWBPUISSA-RJSYSCLSSA-N -1 3 320.349 2.111 20 5 DEBDHM COc1cc(C[NH2+][C@H](C)CCCC(=O)[O-])c([N+](=O)[O-])cc1[O-] ZINC001320866991 1140963528 /nfs/dbraw/zinc/96/35/28/1140963528.db2.gz PYCXQEDYXPWYOO-SECBINFHSA-N -1 3 312.322 2.042 20 5 DEBDHM C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCCP(=O)([O-])[O-] ZINC001254538774 1143240108 /nfs/dbraw/zinc/24/01/08/1143240108.db2.gz AXHMYEPWYBRRBI-NSHDSACASA-N -1 3 316.294 2.073 20 5 DEBDHM CCOC(=O)c1cc(C(=O)[N-]c2cc(C)cc([N+](=O)[O-])c2)on1 ZINC001305600862 1147372871 /nfs/dbraw/zinc/37/28/71/1147372871.db2.gz JAUNFOYNSYGYFW-UHFFFAOYSA-N -1 3 319.273 2.320 20 5 DEBDHM CCOc1nc(C(=O)[N-]c2ccc(OC)c([N+](=O)[O-])c2)co1 ZINC000614023084 362264363 /nfs/dbraw/zinc/26/43/63/362264363.db2.gz WCVCLTMSSXXLJL-UHFFFAOYSA-N -1 3 307.262 2.242 20 5 DEBDHM O=C([N-]c1nnc2n1CCCC2)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000180890902 304021598 /nfs/dbraw/zinc/02/15/98/304021598.db2.gz VIEPMWWEGFQCOE-UHFFFAOYSA-N -1 3 321.724 2.428 20 5 DEBDHM O=C(N=c1[nH]c2ccccc2[nH]1)c1[n-]nc2ccc([N+](=O)[O-])cc21 ZINC000044653333 354240572 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DEBDHM O=[N+]([O-])c1cnc([N-]c2cnn(C[C@H]3CCCO3)c2)c(F)c1 ZINC000591140248 357679086 /nfs/dbraw/zinc/67/90/86/357679086.db2.gz YNYGVESQQOTHLI-LLVKDONJSA-N -1 3 307.285 2.248 20 5 DEBDHM C[C@H]1CC[C@H](C(=O)[O-])CN1CCOc1ccccc1[N+](=O)[O-] ZINC000592397113 357872729 /nfs/dbraw/zinc/87/27/29/357872729.db2.gz YAGWKNRBHDCZNF-RYUDHWBXSA-N -1 3 308.334 2.159 20 5 DEBDHM O=C(N[C@H]1CCCN2CCCC[C@H]12)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000594417720 358263389 /nfs/dbraw/zinc/26/33/89/358263389.db2.gz FGLFZHGKKZTIMX-LSDHHAIUSA-N -1 3 319.361 2.047 20 5 DEBDHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594781112 358336822 /nfs/dbraw/zinc/33/68/22/358336822.db2.gz KYHNGESWGZCUNJ-BXKDBHETSA-N -1 3 321.358 2.220 20 5 DEBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000596150044 358622801 /nfs/dbraw/zinc/62/28/01/358622801.db2.gz DGGWSBQNWMDJHM-UHFFFAOYSA-N -1 3 320.324 2.378 20 5 DEBDHM CC(C)OCc1nc([C@@H](C)Nc2cc[n-]c(=O)c2[N+](=O)[O-])no1 ZINC000596237540 358649064 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O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCSC2)c(Cl)c1 ZINC000266320518 205263730 /nfs/dbraw/zinc/26/37/30/205263730.db2.gz QZTSUUBEOVOWHN-SSDOTTSWSA-N -1 3 322.795 2.032 20 5 DEBDHM CN(c1ccc([O-])cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000020011222 182178030 /nfs/dbraw/zinc/17/80/30/182178030.db2.gz BJJORMKVYMBCPH-UHFFFAOYSA-N -1 3 308.315 2.126 20 5 DEBDHM O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])[N-]OCc1cccnc1 ZINC000492218522 249018980 /nfs/dbraw/zinc/01/89/80/249018980.db2.gz VAHYTMRXBRKGCU-XQRVVYSFSA-N -1 3 317.276 2.390 20 5 DEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccncc2)c1C ZINC000159538531 197361037 /nfs/dbraw/zinc/36/10/37/197361037.db2.gz SRASFURYVYMWIU-UHFFFAOYSA-N -1 3 321.358 2.085 20 5 DEBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)CC(C)C)c([N+](=O)[O-])c1 ZINC000157521438 197194285 /nfs/dbraw/zinc/19/42/85/197194285.db2.gz QDHQPNUKEIDQQN-SNVBAGLBSA-N -1 3 316.379 2.316 20 5 DEBDHM Cc1cnc(NCc2nnc(C(F)(F)F)[n-]2)c([N+](=O)[O-])c1 ZINC000359678572 133138314 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Cc1ccc(S(=O)(=O)[N-][C@H]2CC[C@H](F)C2)c([N+](=O)[O-])c1 ZINC000344972519 292184902 /nfs/dbraw/zinc/18/49/02/292184902.db2.gz ZWNOIQRLNLSGPM-UWVGGRQHSA-N -1 3 302.327 2.072 20 5 DEBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)CC2CC2)c([N+](=O)[O-])c1 ZINC000112708011 401755118 /nfs/dbraw/zinc/75/51/18/401755118.db2.gz XOQRAINVIMUMDP-SECBINFHSA-N -1 3 314.363 2.070 20 5 DEBDHM O=C(N[C@H]1CCN(C2CCCC2)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000133451350 401886959 /nfs/dbraw/zinc/88/69/59/401886959.db2.gz ZMBZMCRIAAUZAU-NSHDSACASA-N -1 3 319.361 2.047 20 5 DEBDHM COc1ccc([N+](=O)[O-])c(NCc2nnc(C(F)(F)F)[n-]2)c1 ZINC000338708130 404490195 /nfs/dbraw/zinc/49/01/95/404490195.db2.gz QPGHRJOBGHYEGB-UHFFFAOYSA-N -1 3 317.227 2.352 20 5 DEBDHM COc1ccc([N+](=O)[O-])c(NCc2n[n-]c(C(F)(F)F)n2)c1 ZINC000338708130 404490199 /nfs/dbraw/zinc/49/01/99/404490199.db2.gz QPGHRJOBGHYEGB-UHFFFAOYSA-N -1 3 317.227 2.352 20 5 DEBDHM COc1ccc([N+](=O)[O-])c(NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000338708130 404490204 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20 5 DEBDHM COc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263317478 402757970 /nfs/dbraw/zinc/75/79/70/402757970.db2.gz IXIFXLWTTYQIKH-PWSUYJOCSA-N -1 3 308.334 2.146 20 5 DEBDHM C[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000272217901 402910951 /nfs/dbraw/zinc/91/09/51/402910951.db2.gz MYRHNWBWTFOFPH-SECBINFHSA-N -1 3 324.287 2.298 20 5 DEBDHM C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000272350000 402926622 /nfs/dbraw/zinc/92/66/22/402926622.db2.gz CBSYYSAOAMNKJT-NSHDSACASA-N -1 3 321.377 2.103 20 5 DEBDHM CC(C)c1n[nH]c(C(=O)[N-]OCc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000273476870 403007946 /nfs/dbraw/zinc/00/79/46/403007946.db2.gz TUTNEAORNQHKJE-UHFFFAOYSA-N -1 3 322.296 2.442 20 5 DEBDHM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)C1CCN(C2CC2)CC1 ZINC000280289133 402984327 /nfs/dbraw/zinc/98/43/27/402984327.db2.gz PYGVLECDCSATQB-UHFFFAOYSA-N -1 3 305.334 2.113 20 5 DEBDHM COc1ccc([N+](=O)[O-])cc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000274717765 403081446 /nfs/dbraw/zinc/08/14/46/403081446.db2.gz CWBBXBGAKGPTLX-GFCCVEGCSA-N -1 3 311.294 2.183 20 5 DEBDHM COc1ccc([N+](=O)[O-])cc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000274717765 403081448 /nfs/dbraw/zinc/08/14/48/403081448.db2.gz CWBBXBGAKGPTLX-GFCCVEGCSA-N -1 3 311.294 2.183 20 5 DEBDHM Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)[N-]OC[C@H]1CCOC1 ZINC000276424643 403173676 /nfs/dbraw/zinc/17/36/76/403173676.db2.gz OKGJDRKNFAZKLR-NSHDSACASA-N -1 3 309.322 2.301 20 5 DEBDHM O=C([N-]c1ccc(Cn2ccnc2)cn1)c1ccc([N+](=O)[O-])o1 ZINC000343360390 403554086 /nfs/dbraw/zinc/55/40/86/403554086.db2.gz ZWJZWBFSZLTMQR-UHFFFAOYSA-N -1 3 313.273 2.080 20 5 DEBDHM COc1ccc(CN2CCC[C@@](C)(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000316035243 404022569 /nfs/dbraw/zinc/02/25/69/404022569.db2.gz HWBRYAIRXUPSTF-OAHLLOKOSA-N -1 3 308.334 2.290 20 5 DEBDHM Cc1nn(Cc2noc(-c3ccccc3[O-])n2)c(C)c1[N+](=O)[O-] ZINC000363039869 404053856 /nfs/dbraw/zinc/05/38/56/404053856.db2.gz HIYTXFBPCLNRJU-UHFFFAOYSA-N -1 3 315.289 2.212 20 5 DEBDHM O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc2n[n-]nc2c1 ZINC000352178941 404195828 /nfs/dbraw/zinc/19/58/28/404195828.db2.gz STBXMVQBFMSOOX-UHFFFAOYSA-N -1 3 301.237 2.258 20 5 DEBDHM O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cccc([O-])c1 ZINC000351475155 404590504 /nfs/dbraw/zinc/59/05/04/404590504.db2.gz CEUKQWIJFOZIDV-UHFFFAOYSA-N -1 3 301.302 2.142 20 5 DEBDHM COCc1nnc(Sc2ncc([N+](=O)[O-])cc2Cl)[n-]1 ZINC000354375682 405182019 /nfs/dbraw/zinc/18/20/19/405182019.db2.gz BKDTVEKWHYZOIV-UHFFFAOYSA-N -1 3 301.715 2.059 20 5 DEBDHM COCc1nc(Sc2ncc([N+](=O)[O-])cc2Cl)n[n-]1 ZINC000354375682 405182024 /nfs/dbraw/zinc/18/20/24/405182024.db2.gz BKDTVEKWHYZOIV-UHFFFAOYSA-N -1 3 301.715 2.059 20 5 DEBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-][C@@H]2CCCC[C@H]2F)c1 ZINC000416595169 405193015 /nfs/dbraw/zinc/19/30/15/405193015.db2.gz PVNNHIAGFJPROD-CHWSQXEVSA-N -1 3 316.354 2.295 20 5 DEBDHM CCN(C[C@@H]1CCCN1CC)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000582158773 405679790 /nfs/dbraw/zinc/67/97/90/405679790.db2.gz KOHGAFNEKLZGTD-ZDUSSCGKSA-N -1 3 321.377 2.247 20 5 DEBDHM COC(=O)c1cnc(SCC(=O)c2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000432666101 405796618 /nfs/dbraw/zinc/79/66/18/405796618.db2.gz QXGVCUSLPPSCJB-UHFFFAOYSA-N -1 3 321.314 2.080 20 5 DEBDHM O=C([N-]c1nc[nH]n1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050586155 275003110 /nfs/dbraw/zinc/00/31/10/275003110.db2.gz WVTRZLDNOVOZFU-UHFFFAOYSA-N -1 3 316.302 2.089 20 5 DEBDHM COc1ccncc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000353881136 278070394 /nfs/dbraw/zinc/07/03/94/278070394.db2.gz MCRSZKPWLOCFMY-UHFFFAOYSA-N -1 3 313.273 2.127 20 5 DEBDHM Nc1c(C(=O)Nc2cc(F)ccc2[O-])cc(F)cc1[N+](=O)[O-] ZINC000174883102 325742771 /nfs/dbraw/zinc/74/27/71/325742771.db2.gz UJONDTGEJZKUOO-UHFFFAOYSA-N -1 3 309.228 2.413 20 5 DEBDHM COc1ccc(CN2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000573323422 326045298 /nfs/dbraw/zinc/04/52/98/326045298.db2.gz HNYLVWVKKPAZBC-CMPLNLGQSA-N -1 3 308.334 2.146 20 5 DEBDHM CCSCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000337214150 521705357 /nfs/dbraw/zinc/70/53/57/521705357.db2.gz XCZGKFJJKQVPPY-UHFFFAOYSA-N -1 3 322.383 2.155 20 5 DEBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ccncc2F)c1 ZINC000338454782 521279567 /nfs/dbraw/zinc/27/95/67/521279567.db2.gz HXOUGSJHPYFXQM-UHFFFAOYSA-N -1 3 305.265 2.202 20 5 DEBDHM O=[N+]([O-])c1ccc(Sc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000738366573 599266182 /nfs/dbraw/zinc/26/61/82/599266182.db2.gz FGFHTKKZVXRPFO-UHFFFAOYSA-N -1 3 300.303 2.321 20 5 DEBDHM O=[N+]([O-])c1ccc(Sc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000738366573 599266184 /nfs/dbraw/zinc/26/61/84/599266184.db2.gz FGFHTKKZVXRPFO-UHFFFAOYSA-N -1 3 300.303 2.321 20 5 DEBDHM O=[N+]([O-])c1cc(F)cc(Oc2ncccc2-c2nnn[n-]2)c1 ZINC000823634519 607332401 /nfs/dbraw/zinc/33/24/01/607332401.db2.gz JGKJQDVYVAIGEK-UHFFFAOYSA-N -1 3 302.225 2.101 20 5 DEBDHM Cc1cccnc1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737434436 598243412 /nfs/dbraw/zinc/24/34/12/598243412.db2.gz JTDTVVAEGCDDHX-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1cccnc1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737434436 598243414 /nfs/dbraw/zinc/24/34/14/598243414.db2.gz JTDTVVAEGCDDHX-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM CSCC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821961499 607347843 /nfs/dbraw/zinc/34/78/43/607347843.db2.gz JSWBATQJUJAWCS-VIFPVBQESA-N -1 3 322.394 2.353 20 5 DEBDHM O=[N+]([O-])c1cnc(Nc2ccc(F)cc2)c(-c2nnn[n-]2)c1 ZINC000738374931 599317256 /nfs/dbraw/zinc/31/72/56/599317256.db2.gz TVFVFHAJTSGZRR-UHFFFAOYSA-N -1 3 301.241 2.053 20 5 DEBDHM O=[N+]([O-])c1cnc(Nc2ccc(F)cc2)c(-c2nn[n-]n2)c1 ZINC000738374931 599317258 /nfs/dbraw/zinc/31/72/58/599317258.db2.gz TVFVFHAJTSGZRR-UHFFFAOYSA-N -1 3 301.241 2.053 20 5 DEBDHM CSCC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737180325 599445713 /nfs/dbraw/zinc/44/57/13/599445713.db2.gz FKEXIEUTVVOFEH-MRVPVSSYSA-N -1 3 308.367 2.328 20 5 DEBDHM CSCC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737180325 599445716 /nfs/dbraw/zinc/44/57/16/599445716.db2.gz FKEXIEUTVVOFEH-MRVPVSSYSA-N -1 3 308.367 2.328 20 5 DEBDHM CO[C@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(C)(C)C ZINC000821676965 599687263 /nfs/dbraw/zinc/68/72/63/599687263.db2.gz KRSVTDJRJFDXRO-GFCCVEGCSA-N -1 3 320.353 2.248 20 5 DEBDHM CO[C@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(C)(C)C ZINC000821676965 599687264 /nfs/dbraw/zinc/68/72/64/599687264.db2.gz KRSVTDJRJFDXRO-GFCCVEGCSA-N -1 3 320.353 2.248 20 5 DEBDHM CC[C@H]1C[C@@H](C)CN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820973615 599688863 /nfs/dbraw/zinc/68/88/63/599688863.db2.gz YIYUWBIMTLIUEY-ZJUUUORDSA-N -1 3 302.338 2.400 20 5 DEBDHM CC[C@H]1C[C@@H](C)CN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820973615 599688864 /nfs/dbraw/zinc/68/88/64/599688864.db2.gz YIYUWBIMTLIUEY-ZJUUUORDSA-N -1 3 302.338 2.400 20 5 DEBDHM C[C@@H]1C[C@@H]1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824899809 607524071 /nfs/dbraw/zinc/52/40/71/607524071.db2.gz OQWOBRLJPBWCOJ-VDTYLAMSSA-N -1 3 322.712 2.023 20 5 DEBDHM C[C@@H]1C[C@@H]1C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824899809 607524073 /nfs/dbraw/zinc/52/40/73/607524073.db2.gz OQWOBRLJPBWCOJ-VDTYLAMSSA-N -1 3 322.712 2.023 20 5 DEBDHM COC[C@@](C)(CC(=O)[O-])NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000831579145 604789126 /nfs/dbraw/zinc/78/91/26/604789126.db2.gz VVABOBQCUCXNEF-CYBMUJFWSA-N -1 3 316.741 2.218 20 5 DEBDHM O=C([O-])NC[C@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000834224305 605571703 /nfs/dbraw/zinc/57/17/03/605571703.db2.gz IQBGKTIOAMFWQW-KTLBGCOUSA-N -1 3 305.334 2.198 20 5 DEBDHM CC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC000820979675 606644632 /nfs/dbraw/zinc/64/46/32/606644632.db2.gz JFRJDHGHBVMSKT-SNVBAGLBSA-N -1 3 302.338 2.401 20 5 DEBDHM Cc1nc(NCc2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000822454557 606700141 /nfs/dbraw/zinc/70/01/41/606700141.db2.gz YBJPKTKWEQUUPD-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM Cc1nc(NCc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000822454557 606700142 /nfs/dbraw/zinc/70/01/42/606700142.db2.gz YBJPKTKWEQUUPD-UHFFFAOYSA-N -1 3 311.305 2.090 20 5 DEBDHM O=[N+]([O-])c1ccc2nc(NC3CC=CC3)cc(-c3nnn[n-]3)c2c1 ZINC000823645949 607120347 /nfs/dbraw/zinc/12/03/47/607120347.db2.gz XJURAWOAKAWEKQ-UHFFFAOYSA-N -1 3 323.316 2.454 20 5 DEBDHM O=[N+]([O-])c1ccc2nc(NC3CC=CC3)cc(-c3nn[n-]n3)c2c1 ZINC000823645949 607120348 /nfs/dbraw/zinc/12/03/48/607120348.db2.gz XJURAWOAKAWEKQ-UHFFFAOYSA-N -1 3 323.316 2.454 20 5 DEBDHM O=[N+]([O-])c1cnc(N[C@H]2CC3CCC2CC3)c(-c2nnn[n-]2)c1 ZINC000823651433 607131826 /nfs/dbraw/zinc/13/18/26/607131826.db2.gz JMBIAFKUFNVUOD-KWPJZBAWSA-N -1 3 315.337 2.161 20 5 DEBDHM O=[N+]([O-])c1cnc(N[C@H]2CC3CCC2CC3)c(-c2nn[n-]n2)c1 ZINC000823651433 607131828 /nfs/dbraw/zinc/13/18/28/607131828.db2.gz JMBIAFKUFNVUOD-KWPJZBAWSA-N -1 3 315.337 2.161 20 5 DEBDHM Cc1cc(N2CCc3ccc(-c4nnn[n-]4)cc32)ncc1[N+](=O)[O-] ZINC000826269108 607935708 /nfs/dbraw/zinc/93/57/08/607935708.db2.gz ANGJETYCIZFVFE-UHFFFAOYSA-N -1 3 323.316 2.173 20 5 DEBDHM Cc1cc(N2CCc3ccc(-c4nn[n-]n4)cc32)ncc1[N+](=O)[O-] ZINC000826269108 607935709 /nfs/dbraw/zinc/93/57/09/607935709.db2.gz ANGJETYCIZFVFE-UHFFFAOYSA-N -1 3 323.316 2.173 20 5 DEBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CC[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000867151276 650011802 /nfs/dbraw/zinc/01/18/02/650011802.db2.gz DVWHGMOVGYQWSC-APPZFPTMSA-N -1 3 304.393 2.432 20 5 DEBDHM Cc1nonc1[N-]C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000781640055 642773722 /nfs/dbraw/zinc/77/37/22/642773722.db2.gz YEDJWWSTOXKSTL-UHFFFAOYSA-N -1 3 314.204 2.140 20 5 DEBDHM Cn1cnnc1[N-]C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813169947 646742216 /nfs/dbraw/zinc/74/22/16/646742216.db2.gz YXZHNPPYVIONFI-UHFFFAOYSA-N -1 3 316.104 2.282 20 5 DEBDHM CC(C)COCCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820102774 647785047 /nfs/dbraw/zinc/78/50/47/647785047.db2.gz JZCIASIHWAGKGI-UHFFFAOYSA-N -1 3 320.353 2.250 20 5 DEBDHM CC(C)COCCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820102774 647785050 /nfs/dbraw/zinc/78/50/50/647785050.db2.gz JZCIASIHWAGKGI-UHFFFAOYSA-N -1 3 320.353 2.250 20 5 DEBDHM CCCCC[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000845812019 651284992 /nfs/dbraw/zinc/28/49/92/651284992.db2.gz XZNYVAPPUPFUTJ-JTQLQIEISA-N -1 3 301.368 2.237 20 5 DEBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CC23CCC3)c(F)cc1[N+](=O)[O-] ZINC000872651069 689056768 /nfs/dbraw/zinc/05/67/68/689056768.db2.gz TVVUZOXTYCZVPL-LBPRGKRZSA-N -1 3 314.338 2.263 20 5 DEBDHM CCCC(=O)N1CCC(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001057462796 694352144 /nfs/dbraw/zinc/35/21/44/694352144.db2.gz VPXLJUBRTSIEFB-UHFFFAOYSA-N -1 3 322.365 2.146 20 5 DEBDHM