smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc([N+](=O)[O-])c(C(=O)[N-]c2ncn(C)n2)cc1Cl ZINC001595794878 1174216495 /nfs/dbraw/zinc/21/64/95/1174216495.db2.gz FUCHSGWXHCGITN-UHFFFAOYSA-N -1 3 295.686 1.937 10 5 CDBEHM C[C@@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])[C@@H](C)O1 ZINC000601223775 342527716 /nfs/dbraw/zinc/52/77/16/342527716.db2.gz MYTRRRJGJNFMDY-ZXFLCMHBSA-N -1 3 253.258 1.673 10 5 CDBEHM O=C(Nc1cnn(-c2ccncc2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000608908503 342084408 /nfs/dbraw/zinc/08/44/08/342084408.db2.gz ZRZWTMCTLHAPAV-UHFFFAOYSA-N -1 3 298.262 1.756 10 5 CDBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2=CCCCC2)nc1 ZINC000593602030 342817876 /nfs/dbraw/zinc/81/78/76/342817876.db2.gz ASEKNDKEOWEZPZ-UHFFFAOYSA-N -1 3 297.336 1.769 10 5 CDBEHM O=c1[n-]ccc(NCC[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000596071456 343225484 /nfs/dbraw/zinc/22/54/84/343225484.db2.gz ZHOWLPIRKHQLJN-QMMMGPOBSA-N -1 3 253.258 1.676 10 5 CDBEHM CC(C)C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000086515967 179305784 /nfs/dbraw/zinc/30/57/84/179305784.db2.gz NYBWSIMJULCNNQ-UHFFFAOYSA-N -1 3 286.309 1.098 10 5 CDBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC[C@@H](C)F ZINC000339032397 359279946 /nfs/dbraw/zinc/27/99/46/359279946.db2.gz HVFJXKVQQWJIBK-SECBINFHSA-N -1 3 290.316 1.930 10 5 CDBEHM O=C([N-]c1nnc2ccccn21)c1ccc([N+](=O)[O-])cn1 ZINC000531878161 374513647 /nfs/dbraw/zinc/51/36/47/374513647.db2.gz NLDFGDOLTHZWFT-UHFFFAOYSA-N -1 3 284.235 1.285 10 5 CDBEHM CC(C)[C@@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)N(C)C ZINC000275081199 374690148 /nfs/dbraw/zinc/69/01/48/374690148.db2.gz FGSOJINQIHVGEA-LBPRGKRZSA-N -1 3 281.312 1.825 10 5 CDBEHM CCn1cnnc1[N-]C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000285823071 390184126 /nfs/dbraw/zinc/18/41/26/390184126.db2.gz NVOHWNXFVJRGOB-UHFFFAOYSA-N -1 3 281.297 1.828 10 5 CDBEHM CCc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n[nH]1 ZINC000193466321 393352155 /nfs/dbraw/zinc/35/21/55/393352155.db2.gz IAPCAZIHKHVJCZ-UHFFFAOYSA-N -1 3 277.240 1.233 10 5 CDBEHM CCc1noc(C)c1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187205389 140076730 /nfs/dbraw/zinc/07/67/30/140076730.db2.gz QAGAFQURXHBWND-UHFFFAOYSA-N -1 3 292.251 1.807 10 5 CDBEHM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H]1CCC[C@@H]1CCO ZINC000339125378 398093062 /nfs/dbraw/zinc/09/30/62/398093062.db2.gz VAQDHNKCQUFZPV-ZWNOBZJWSA-N -1 3 280.324 1.941 10 5 CDBEHM CN(C)C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000331232534 289211073 /nfs/dbraw/zinc/21/10/73/289211073.db2.gz JIFNUOOYTULLJZ-LLVKDONJSA-N -1 3 293.323 1.467 10 5 CDBEHM O=c1[n-]ccc(NC[C@H](O)c2ccco2)c1[N+](=O)[O-] ZINC001639260889 1166918369 /nfs/dbraw/zinc/91/83/69/1166918369.db2.gz OHJHLIKVQUXZMS-QMMMGPOBSA-N -1 3 265.225 1.434 10 5 CDBEHM O=c1[n-]ccc(NCC2CC3(C2)OCCO3)c1[N+](=O)[O-] ZINC001458587819 969318572 /nfs/dbraw/zinc/31/85/72/969318572.db2.gz VOZNSXYTOCNRPO-UHFFFAOYSA-N -1 3 281.268 1.260 10 5 CDBEHM CS[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593565773 342812875 /nfs/dbraw/zinc/81/28/75/342812875.db2.gz ITZAVKIHYRTXMV-SSDOTTSWSA-N -1 3 291.354 1.020 10 5 CDBEHM O=c1[n-]ccc(N2CC[C@H](C(F)F)C2)c1[N+](=O)[O-] ZINC000596220017 343270053 /nfs/dbraw/zinc/27/00/53/343270053.db2.gz JSMPHJMSMYUXNO-LURJTMIESA-N -1 3 259.212 1.787 10 5 CDBEHM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CC2CC2)c1 ZINC000035189079 172044136 /nfs/dbraw/zinc/04/41/36/172044136.db2.gz LOSGZKOJHCSUSM-UHFFFAOYSA-N -1 3 290.728 1.937 10 5 CDBEHM CO[C@H]1C[C@@H](CC(=O)[O-])N(Cc2ccccc2[N+](=O)[O-])C1 ZINC000570933820 294337004 /nfs/dbraw/zinc/33/70/04/294337004.db2.gz NVFWIDOGQHEMLQ-RYUDHWBXSA-N -1 3 294.307 1.659 10 5 CDBEHM CCCC[N-]S(=O)(=O)c1c(N)cc([N+](=O)[O-])cc1F ZINC000050633538 520693653 /nfs/dbraw/zinc/69/36/53/520693653.db2.gz GCDQNYRNQJWOGG-UHFFFAOYSA-N -1 3 291.304 1.395 10 5 CDBEHM CN(C)C[C@H]1CCCN1c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000061645068 521873508 /nfs/dbraw/zinc/87/35/08/521873508.db2.gz RTGBLSYJHULBNH-LLVKDONJSA-N -1 3 293.323 1.823 10 5 CDBEHM O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc(Cl)cc1[O-] ZINC000340329031 527398598 /nfs/dbraw/zinc/39/85/98/527398598.db2.gz IPJNWWIXZQQKAV-UHFFFAOYSA-N -1 3 297.658 1.184 10 5 CDBEHM Cc1nocc1[N-]C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001631755995 1166300646 /nfs/dbraw/zinc/30/06/46/1166300646.db2.gz JIFIWJACJYDURS-UHFFFAOYSA-N -1 3 263.213 1.121 10 5 CDBEHM Nc1nccc(C(=O)Nc2cccc([O-])c2F)c1[N+](=O)[O-] ZINC001631889713 1166312330 /nfs/dbraw/zinc/31/23/30/1166312330.db2.gz QSQSREZZYUKCRZ-UHFFFAOYSA-N -1 3 292.226 1.669 10 5 CDBEHM COC(=O)CC1CC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001640404055 1167021723 /nfs/dbraw/zinc/02/17/23/1167021723.db2.gz XRRIAMRWYIPWKZ-UHFFFAOYSA-N -1 3 281.268 1.449 10 5 CDBEHM Cn1cc(Cl)c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC001652335437 1171428286 /nfs/dbraw/zinc/42/82/86/1171428286.db2.gz MHWBWLMOLLSRIY-UHFFFAOYSA-N -1 3 297.658 1.335 10 5 CDBEHM CCOc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2C)[n-]1 ZINC000228792296 1178117050 /nfs/dbraw/zinc/11/70/50/1178117050.db2.gz ZQVMKTLYNZDSIU-UHFFFAOYSA-N -1 3 291.267 1.672 10 5 CDBEHM CCOc1nc(NC(=O)c2cccc([N+](=O)[O-])c2C)n[n-]1 ZINC000228792296 1178117055 /nfs/dbraw/zinc/11/70/55/1178117055.db2.gz ZQVMKTLYNZDSIU-UHFFFAOYSA-N -1 3 291.267 1.672 10 5 CDBEHM CCOc1n[n-]c(NC(=O)c2cccc([N+](=O)[O-])c2C)n1 ZINC000228792296 1178117064 /nfs/dbraw/zinc/11/70/64/1178117064.db2.gz ZQVMKTLYNZDSIU-UHFFFAOYSA-N -1 3 291.267 1.672 10 5 CDBEHM Cc1nocc1[N-]C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001144329770 931756294 /nfs/dbraw/zinc/75/62/94/931756294.db2.gz SNKDEHRQELMKIF-UHFFFAOYSA-N -1 3 271.620 1.520 10 5 CDBEHM Cc1cc([N-]C(=O)c2ccnc(N)c2[N+](=O)[O-])no1 ZINC001440707163 964139362 /nfs/dbraw/zinc/13/93/62/964139362.db2.gz XEZGIINVYNMNJZ-UHFFFAOYSA-N -1 3 263.213 1.121 10 5 CDBEHM Cc1ncc(C)c([N-]C(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC001534062069 969474820 /nfs/dbraw/zinc/47/48/20/969474820.db2.gz UYDCCQRBCDUJFY-UHFFFAOYSA-N -1 3 262.225 1.847 10 5 CDBEHM CO[C@@H](C)C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601400606 342560110 /nfs/dbraw/zinc/56/01/10/342560110.db2.gz VARLNCZUBNIHMW-LURJTMIESA-N -1 3 294.354 1.278 10 5 CDBEHM O=c1c(O)ccc(-c2cccc([N+](=O)[O-])c2)c([O-])c1O ZINC000013775891 342146674 /nfs/dbraw/zinc/14/66/74/342146674.db2.gz SGVUAGNGBQKVNH-UHFFFAOYSA-N -1 3 275.216 1.739 10 5 CDBEHM O=c1c(O)c([O-])c(O)ccc1-c1cccc([N+](=O)[O-])c1 ZINC000013775891 342146675 /nfs/dbraw/zinc/14/66/75/342146675.db2.gz SGVUAGNGBQKVNH-UHFFFAOYSA-N -1 3 275.216 1.739 10 5 CDBEHM CCCS(=O)(=O)[N-]c1ccc(F)c([N+](=O)[O-])c1 ZINC000070237910 361865866 /nfs/dbraw/zinc/86/58/66/361865866.db2.gz BYPLDFIIMZANAF-UHFFFAOYSA-N -1 3 262.262 1.886 10 5 CDBEHM C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593524344 342811992 /nfs/dbraw/zinc/81/19/92/342811992.db2.gz FLGQRWUNPAAOPM-GXSJLCMTSA-N -1 3 299.352 1.847 10 5 CDBEHM O=c1[n-]ccc(N2CCC(C3(O)CC3)CC2)c1[N+](=O)[O-] ZINC000596290088 343289410 /nfs/dbraw/zinc/28/94/10/343289410.db2.gz JHSPVSNFZHXGMX-UHFFFAOYSA-N -1 3 279.296 1.437 10 5 CDBEHM O=c1[n-]ccc(N2CC[C@]3(C2)CCCOC3)c1[N+](=O)[O-] ZINC000596226246 343272134 /nfs/dbraw/zinc/27/21/34/343272134.db2.gz PPTBUEGRQLXJAC-ZDUSSCGKSA-N -1 3 279.296 1.702 10 5 CDBEHM Cn1c([N-]C(=O)c2csc([N+](=O)[O-])c2)nnc1C1CC1 ZINC000597898319 343664811 /nfs/dbraw/zinc/66/48/11/343664811.db2.gz ZOQIDCWYALPKQY-UHFFFAOYSA-N -1 3 293.308 1.915 10 5 CDBEHM CC[C@H](NCc1nc(=O)[n-][nH]1)c1cccc([N+](=O)[O-])c1 ZINC000271833716 191356317 /nfs/dbraw/zinc/35/63/17/191356317.db2.gz XPBDRFQRFUZNGF-JTQLQIEISA-N -1 3 277.284 1.247 10 5 CDBEHM CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000289506402 197382984 /nfs/dbraw/zinc/38/29/84/197382984.db2.gz KIXOQMPVOFCSRB-BDAKNGLRSA-N -1 3 288.325 1.297 10 5 CDBEHM CCCc1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)n[nH]1 ZINC000116976586 374496210 /nfs/dbraw/zinc/49/62/10/374496210.db2.gz GMXRFGMPOVEONK-UHFFFAOYSA-N -1 3 291.267 1.623 10 5 CDBEHM CCNCc1cc([N+](=O)[O-])ccc1O[C@H](C)C(=O)[O-] ZINC000043625118 175081243 /nfs/dbraw/zinc/08/12/43/175081243.db2.gz TYTMQBBWYVATDT-MRVPVSSYSA-N -1 3 268.269 1.556 10 5 CDBEHM O=c1[n-]cnc2c1CN(c1ccc([N+](=O)[O-])nc1)CC2 ZINC000357685262 280368101 /nfs/dbraw/zinc/36/81/01/280368101.db2.gz ZGTJGYJTYIAQDI-UHFFFAOYSA-N -1 3 273.252 1.048 10 5 CDBEHM C[C@H]1C[C@@H]1[N-]S(=O)(=O)c1c(N)cc([N+](=O)[O-])cc1F ZINC000052302766 524853934 /nfs/dbraw/zinc/85/39/34/524853934.db2.gz MZTUVGMPLNFPBU-CDUCUWFYSA-N -1 3 289.288 1.003 10 5 CDBEHM Cc1c([N+](=O)[O-])cccc1N1CCN(CC(=O)[O-])CC1 ZINC000062723447 525931023 /nfs/dbraw/zinc/93/10/23/525931023.db2.gz RGIDAFYQJJRAQE-UHFFFAOYSA-N -1 3 279.296 1.110 10 5 CDBEHM CC(C)C[C@H](C(=O)[O-])N(C)Cc1cccnc1[N+](=O)[O-] ZINC000903600649 626030967 /nfs/dbraw/zinc/03/09/67/626030967.db2.gz HBWDNHBBGJWCRS-LLVKDONJSA-N -1 3 281.312 1.921 10 5 CDBEHM CN(OCC(F)(F)F)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000858869012 687416922 /nfs/dbraw/zinc/41/69/22/687416922.db2.gz BMAORJCRPYHNJR-UHFFFAOYSA-N -1 3 267.163 1.626 10 5 CDBEHM Cc1cc(=O)[n-]c(CNC(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC001164368467 939465223 /nfs/dbraw/zinc/46/52/23/939465223.db2.gz DRIMYDYMHKOMFZ-UHFFFAOYSA-N -1 3 288.263 1.329 10 5 CDBEHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2cnsn2)c1 ZINC001525599661 970976121 /nfs/dbraw/zinc/97/61/21/970976121.db2.gz WWDURJWBAONGBP-UHFFFAOYSA-N -1 3 280.265 1.707 10 5 CDBEHM COc1c[nH]nc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC001300168557 967616759 /nfs/dbraw/zinc/61/67/59/967616759.db2.gz STNBRWVQAWKCDK-UHFFFAOYSA-N -1 3 252.186 1.172 10 5 CDBEHM O=C([N-]c1cc(F)ccc1[N+](=O)[O-])c1cnccn1 ZINC000082258612 177931490 /nfs/dbraw/zinc/93/14/90/177931490.db2.gz VCUXOZAZNVTJGK-UHFFFAOYSA-N -1 3 262.200 1.776 10 5 CDBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccccc2F)n1 ZINC000344604817 365525471 /nfs/dbraw/zinc/52/54/71/365525471.db2.gz MCMUKHQZYIPNCC-UHFFFAOYSA-N -1 3 264.216 1.720 10 5 CDBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC=CCC2)nc1 ZINC000593548165 342810878 /nfs/dbraw/zinc/81/08/78/342810878.db2.gz MNPAJBNQRBLUEO-VIFPVBQESA-N -1 3 283.309 1.377 10 5 CDBEHM CN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000593739835 342826760 /nfs/dbraw/zinc/82/67/60/342826760.db2.gz KSTJKNJLKHSXAF-JTQLQIEISA-N -1 3 294.307 1.761 10 5 CDBEHM CCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])cnc2C)s1 ZINC000047835477 357033307 /nfs/dbraw/zinc/03/33/07/357033307.db2.gz CTDCIJSWTPHYMC-UHFFFAOYSA-N -1 3 293.308 1.964 10 5 CDBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC[C@H](C)F ZINC000339032399 359279898 /nfs/dbraw/zinc/27/98/98/359279898.db2.gz HVFJXKVQQWJIBK-VIFPVBQESA-N -1 3 290.316 1.930 10 5 CDBEHM CO[N-]C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000300812061 360652146 /nfs/dbraw/zinc/65/21/46/360652146.db2.gz YKDHNEDDYHKJNV-UHFFFAOYSA-N -1 3 276.046 1.044 10 5 CDBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(Cl)ccn2)n1 ZINC000357903272 375939461 /nfs/dbraw/zinc/93/94/61/375939461.db2.gz AHITYLGODJGIKQ-UHFFFAOYSA-N -1 3 281.659 1.629 10 5 CDBEHM C[C@H](Nc1[n-]cnc(=NN)c1[N+](=O)[O-])c1ccccc1 ZINC000040629341 174357424 /nfs/dbraw/zinc/35/74/24/174357424.db2.gz RLEGKYVLDIBAJB-QMMMGPOBSA-N -1 3 274.284 1.844 10 5 CDBEHM CCCNCC(=O)Nc1ccc([O-])cc1[N+](=O)[O-] ZINC000044647600 175223319 /nfs/dbraw/zinc/22/33/19/175223319.db2.gz RFEHNVPQSIPAPJ-UHFFFAOYSA-N -1 3 253.258 1.239 10 5 CDBEHM C[C@H]1CCN(CCNC(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000562683702 293173563 /nfs/dbraw/zinc/17/35/63/293173563.db2.gz WTMXXUHQBXHMAD-JTQLQIEISA-N -1 3 293.323 1.372 10 5 CDBEHM CNc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2C[C@@H]2C)c1 ZINC000052302353 522642858 /nfs/dbraw/zinc/64/28/58/522642858.db2.gz QUGLPBZEALJCOH-IONNQARKSA-N -1 3 285.325 1.323 10 5 CDBEHM C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCN1C ZINC000928435924 692210665 /nfs/dbraw/zinc/21/06/65/692210665.db2.gz HVRGRRKRVTVLAK-LDYMZIIASA-N -1 3 279.296 1.123 10 5 CDBEHM CCOc1nnc(NC(=O)c2c(C)cccc2[N+](=O)[O-])[n-]1 ZINC000228789668 1159919754 /nfs/dbraw/zinc/91/97/54/1159919754.db2.gz IMZWKBWSCJPHOR-UHFFFAOYSA-N -1 3 291.267 1.672 10 5 CDBEHM CCOc1nc(NC(=O)c2c(C)cccc2[N+](=O)[O-])n[n-]1 ZINC000228789668 1159919762 /nfs/dbraw/zinc/91/97/62/1159919762.db2.gz IMZWKBWSCJPHOR-UHFFFAOYSA-N -1 3 291.267 1.672 10 5 CDBEHM CCOc1n[n-]c(NC(=O)c2c(C)cccc2[N+](=O)[O-])n1 ZINC000228789668 1159919767 /nfs/dbraw/zinc/91/97/67/1159919767.db2.gz IMZWKBWSCJPHOR-UHFFFAOYSA-N -1 3 291.267 1.672 10 5 CDBEHM O=C([N-]c1noc2c1CCCC2)c1c[nH]nc1[N+](=O)[O-] ZINC001611700233 1165504124 /nfs/dbraw/zinc/50/41/24/1165504124.db2.gz VTWSIQKHPLSBOV-UHFFFAOYSA-N -1 3 277.240 1.437 10 5 CDBEHM O=C1O[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])CN1C1CC1 ZINC000853718371 723122512 /nfs/dbraw/zinc/12/25/12/723122512.db2.gz CULYIULBKLEFGL-QMMMGPOBSA-N -1 3 294.267 1.091 10 5 CDBEHM C[C@@H]1Cc2n[nH]cc2CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001164145938 939419983 /nfs/dbraw/zinc/41/99/83/939419983.db2.gz JTHVTBCPIFVPTN-MRVPVSSYSA-N -1 3 289.295 1.617 10 5 CDBEHM CN1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C(C)(C)C1 ZINC001472027935 968244448 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/nfs/dbraw/zinc/90/65/65/1159906565.db2.gz YNQPIZGGDWLHRZ-UHFFFAOYSA-N -1 3 277.240 1.364 10 5 CDBEHM CC(C)C[N-]S(=O)(=O)c1cc(N)ccc1[N+](=O)[O-] ZINC000050637659 519749232 /nfs/dbraw/zinc/74/92/32/519749232.db2.gz AEGHNTJDSSBLES-UHFFFAOYSA-N -1 3 273.314 1.111 10 5 CDBEHM O=C([O-])CN1CCCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000061145869 527609158 /nfs/dbraw/zinc/60/91/58/527609158.db2.gz XUTCCXDMGOPZDM-UHFFFAOYSA-N -1 3 297.286 1.331 10 5 CDBEHM Cc1nocc1[N-]C(=O)c1cc([N+](=O)[O-])cnc1N ZINC001640531840 1167033517 /nfs/dbraw/zinc/03/35/17/1167033517.db2.gz DOEGJLAMJZZIBV-UHFFFAOYSA-N -1 3 263.213 1.121 10 5 CDBEHM CCO[N-]C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001587852034 1173001678 /nfs/dbraw/zinc/00/16/78/1173001678.db2.gz VZSXWOJWKJZFHV-UHFFFAOYSA-N -1 3 258.661 1.858 10 5 CDBEHM O=C1OCC[C@H]1CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001640365936 1167018020 /nfs/dbraw/zinc/01/80/20/1167018020.db2.gz XVOJKZOURRCTKW-MRVPVSSYSA-N -1 3 281.268 1.451 10 5 CDBEHM CCON(C)C(=O)C[N-]c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000845715713 931886888 /nfs/dbraw/zinc/88/68/88/931886888.db2.gz BAJDYKPIWFVXMS-UHFFFAOYSA-N -1 3 298.255 1.325 10 5 CDBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C/C=C/C2CC2)nc1 ZINC001326465243 954392705 /nfs/dbraw/zinc/39/27/05/954392705.db2.gz WVMLBDJRIQHATM-OWOJBTEDSA-N -1 3 283.309 1.234 10 5 CDBEHM CCn1nc(C)c([N+](=O)[O-])c1NCCCc1c[n-][nH]c1=O ZINC001472843001 968891404 /nfs/dbraw/zinc/89/14/04/968891404.db2.gz KPULCYQYJLTGED-VIFPVBQESA-N -1 3 294.315 1.044 10 5 CDBEHM C[C@H](CCC1CC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593579176 342814246 /nfs/dbraw/zinc/81/42/46/342814246.db2.gz UBVPVLSJHLREFU-SECBINFHSA-N -1 3 299.352 1.847 10 5 CDBEHM C[C@@H](O)CCCc1cn(-c2ccc([O-])cc2[N+](=O)[O-])nn1 ZINC000594651713 342933403 /nfs/dbraw/zinc/93/34/03/342933403.db2.gz GKLDCYFGTKYEMV-SECBINFHSA-N -1 3 292.295 1.585 10 5 CDBEHM CC1(C)C[C@]1(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595361485 343039860 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CDBEHM CCOc1n[n-]c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000228784005 1159894562 /nfs/dbraw/zinc/89/45/62/1159894562.db2.gz AEEHLLQHOUOOFM-UHFFFAOYSA-N -1 3 291.267 1.672 10 5 CDBEHM COCCNCc1ccc(O[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000062730752 523952948 /nfs/dbraw/zinc/95/29/48/523952948.db2.gz GBWYTSPVOVKDIJ-SECBINFHSA-N -1 3 298.295 1.183 10 5 CDBEHM C[C@H](Oc1cc(CNC2CC2)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000050517219 525924104 /nfs/dbraw/zinc/92/41/04/525924104.db2.gz WDCYMDHXSJJQHH-QMMMGPOBSA-N -1 3 280.280 1.699 10 5 CDBEHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CCCOC2)cs1 ZINC000768832158 576311811 /nfs/dbraw/zinc/31/18/11/576311811.db2.gz DESVFTOQGCPVGX-ZETCQYMHSA-N -1 3 292.338 1.114 10 5 CDBEHM Nc1ccc(C(=O)NCc2ncccc2[O-])cc1[N+](=O)[O-] ZINC000792619418 1162338514 /nfs/dbraw/zinc/33/85/14/1162338514.db2.gz IQLTUOBELXTIEH-UHFFFAOYSA-N -1 3 288.263 1.208 10 5 CDBEHM O=c1[n-]ccc(N[C@H]2c3ccccc3C[C@@H]2O)c1[N+](=O)[O-] ZINC001611791987 1165505458 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O=C(NCCc1ccccc1[N+](=O)[O-])c1cc(=O)[n-]cn1 ZINC001568440601 1169285971 /nfs/dbraw/zinc/28/59/71/1169285971.db2.gz ZCCMLMTXPXOWER-UHFFFAOYSA-N -1 3 288.263 1.063 10 5 CDBEHM COc1cnc(F)c(C(=O)[N-]c2c([N+](=O)[O-])ncn2C)c1 ZINC001587347858 1172981469 /nfs/dbraw/zinc/98/14/69/1172981469.db2.gz DODGRASIAKSORH-UHFFFAOYSA-N -1 3 295.230 1.123 10 5 CDBEHM CC(C)[C@@H](CO)O[N-]C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001641317796 1167096815 /nfs/dbraw/zinc/09/68/15/1167096815.db2.gz JNBGSPZBJBOMHJ-SNVBAGLBSA-N -1 3 286.259 1.412 10 5 CDBEHM Cn1cc([N+](=O)[O-])c(NCCc2c(F)cc([O-])cc2F)n1 ZINC001164211811 939431131 /nfs/dbraw/zinc/43/11/31/939431131.db2.gz DZVHJCAEETZFNO-UHFFFAOYSA-N -1 3 298.249 1.967 10 5 CDBEHM C[C@](CO)([N-]C(=O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC001329589209 956003992 /nfs/dbraw/zinc/00/39/92/956003992.db2.gz SFFPAVPDZIHZNY-LLVKDONJSA-N -1 3 274.223 1.184 10 5 CDBEHM O=C(Nc1cnn2ccccc12)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001470628006 970354905 /nfs/dbraw/zinc/35/49/05/970354905.db2.gz 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COc1n[n-]c(NC(=O)c2cccc([N+](=O)[O-])c2Cl)n1 ZINC000235032244 1178230224 /nfs/dbraw/zinc/23/02/24/1178230224.db2.gz SMXHMNZPPHPZGS-UHFFFAOYSA-N -1 3 297.658 1.627 10 5 CDBEHM O=c1[n-]ccc(NC[C@@H](O)c2ccncc2)c1[N+](=O)[O-] ZINC001612760193 1165521521 /nfs/dbraw/zinc/52/15/21/1165521521.db2.gz LFPNWBXRRAMDLV-SNVBAGLBSA-N -1 3 276.252 1.236 10 5 CDBEHM O=C([N-]c1cccc2nonc21)c1ccc([N+](=O)[O-])cn1 ZINC000808800234 835264705 /nfs/dbraw/zinc/26/47/05/835264705.db2.gz WMNXFRCFRRCERE-UHFFFAOYSA-N -1 3 285.219 1.778 10 5 CDBEHM CN(Cc1ccccn1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001458121925 1167737862 /nfs/dbraw/zinc/73/78/62/1167737862.db2.gz QSTQHZZAAAWZOD-UHFFFAOYSA-N -1 3 260.253 1.727 10 5 CDBEHM Cc1cc(=O)[n-]c(CN2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001559576463 960782588 /nfs/dbraw/zinc/78/25/88/960782588.db2.gz AINVYAYKXJCROB-UHFFFAOYSA-N -1 3 286.291 1.915 10 5 CDBEHM O=c1[n-]ccc(N[C@H]2CO[C@@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000599180860 343983551 /nfs/dbraw/zinc/98/35/51/343983551.db2.gz 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ZINC000611033769 346587908 /nfs/dbraw/zinc/58/79/08/346587908.db2.gz MELOIODDSRNWNK-UHFFFAOYSA-N -1 3 297.292 1.202 10 5 CDBEHM Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](N)CCC(=O)[O-] ZINC000085819575 179183200 /nfs/dbraw/zinc/18/32/00/179183200.db2.gz XHVGWCYEIYYMFQ-SECBINFHSA-N -1 3 281.268 1.034 10 5 CDBEHM O=c1[n-]nc(C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)o1 ZINC000450504239 251317762 /nfs/dbraw/zinc/31/77/62/251317762.db2.gz ZWBGEWUNVJRPAB-UHFFFAOYSA-N -1 3 291.267 1.462 10 5 CDBEHM CCNCc1ccc(O[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000043641275 175084747 /nfs/dbraw/zinc/08/47/47/175084747.db2.gz VYLAAQYWAVPFJG-MRVPVSSYSA-N -1 3 268.269 1.556 10 5 CDBEHM C[C@@H](NCc1csc([N+](=O)[O-])c1)[C@H](C)C(=O)[O-] ZINC000570851600 294323405 /nfs/dbraw/zinc/32/34/05/294323405.db2.gz LIIUXIXWNZXNKQ-NKWVEPMBSA-N -1 3 258.299 1.855 10 5 CDBEHM CCNc1cc([N+](=O)[O-])cc(F)c1S(=O)(=O)[N-]C ZINC000050638015 520278662 /nfs/dbraw/zinc/27/86/62/520278662.db2.gz KTKWONMNHBNDHZ-UHFFFAOYSA-N -1 3 277.277 1.074 10 5 CDBEHM COc1nnc(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])[n-]1 ZINC001636376881 1166671289 /nfs/dbraw/zinc/67/12/89/1166671289.db2.gz JJZWZSWWOFEBTF-UHFFFAOYSA-N -1 3 291.267 1.591 10 5 CDBEHM COc1nc(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])n[n-]1 ZINC001636376881 1166671293 /nfs/dbraw/zinc/67/12/93/1166671293.db2.gz JJZWZSWWOFEBTF-UHFFFAOYSA-N -1 3 291.267 1.591 10 5 CDBEHM COc1n[n-]c(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])n1 ZINC001636376881 1166671297 /nfs/dbraw/zinc/67/12/97/1166671297.db2.gz JJZWZSWWOFEBTF-UHFFFAOYSA-N -1 3 291.267 1.591 10 5 CDBEHM O=C(Nc1ccncc1[O-])[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001182627311 917992970 /nfs/dbraw/zinc/99/29/70/917992970.db2.gz QAOACTHZXOOEHW-NEPJUHHUSA-N -1 3 299.286 1.860 10 5 CDBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1C[C@H]1C ZINC000585741237 342455218 /nfs/dbraw/zinc/45/52/18/342455218.db2.gz UUZKFTRWECURGJ-RKDXNWHRSA-N -1 3 270.310 1.590 10 5 CDBEHM CN1C[C@@H]2CCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590446116 342546547 /nfs/dbraw/zinc/54/65/47/342546547.db2.gz RWVPHLLJZBTGIR-TVQRCGJNSA-N -1 3 291.307 1.077 10 5 CDBEHM CC(C)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593530422 342812361 /nfs/dbraw/zinc/81/23/61/342812361.db2.gz WQLDGRILWCIWNW-UHFFFAOYSA-N -1 3 287.341 1.704 10 5 CDBEHM O=c1[n-]ccc(N2CC[C@H](OC(F)F)C2)c1[N+](=O)[O-] ZINC000596225431 343271860 /nfs/dbraw/zinc/27/18/60/343271860.db2.gz DUONDTCIOVQSAW-LURJTMIESA-N -1 3 275.211 1.513 10 5 CDBEHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000599166089 343972894 /nfs/dbraw/zinc/97/28/94/343972894.db2.gz UUYKJXOLGRRGTH-QHOPCYEYSA-N -1 3 267.285 1.919 10 5 CDBEHM CN(CCOCC(=O)[O-])CCc1ccccc1[N+](=O)[O-] ZINC000566509834 358020139 /nfs/dbraw/zinc/02/01/39/358020139.db2.gz GZVQUNHSAACCBW-UHFFFAOYSA-N -1 3 282.296 1.170 10 5 CDBEHM CCC(F)(F)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000599431976 358738118 /nfs/dbraw/zinc/73/81/18/358738118.db2.gz WPDQLAFOLPRYBJ-UHFFFAOYSA-N -1 3 294.279 1.918 10 5 CDBEHM O=C(NCc1ncccc1[O-])c1ccc([N+](=O)[O-])cc1 ZINC000352502491 155232047 /nfs/dbraw/zinc/23/20/47/155232047.db2.gz VITIKKAJXGMZSQ-UHFFFAOYSA-N -1 3 273.248 1.625 10 5 CDBEHM CN(C)[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000132229595 289317053 /nfs/dbraw/zinc/31/70/53/289317053.db2.gz YFDBBEQTIPZICZ-SECBINFHSA-N -1 3 279.296 1.077 10 5 CDBEHM COCCNCc1ccc(O[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000062730751 523952930 /nfs/dbraw/zinc/95/29/30/523952930.db2.gz GBWYTSPVOVKDIJ-VIFPVBQESA-N -1 3 298.295 1.183 10 5 CDBEHM NNc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ccon2)c1 ZINC000061684825 527282541 /nfs/dbraw/zinc/28/25/41/527282541.db2.gz UQVWDVUUSTVAFM-UHFFFAOYSA-N -1 3 263.213 1.121 10 5 CDBEHM Cc1ccc(CN2CC3CC2(C(=O)[O-])C3)cc1[N+](=O)[O-] ZINC000872160894 845121013 /nfs/dbraw/zinc/12/10/13/845121013.db2.gz OLZCMKDHJWMPMB-UHFFFAOYSA-N -1 3 276.292 1.952 10 5 CDBEHM C[C@H]1[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCN1C ZINC000928438872 847272349 /nfs/dbraw/zinc/27/23/49/847272349.db2.gz MZLBBUVQMGSMJQ-WCBMZHEXSA-N -1 3 279.296 1.123 10 5 CDBEHM Cc1cccc(NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])n1 ZINC001187693668 920612323 /nfs/dbraw/zinc/61/23/23/920612323.db2.gz DMOPIYODJHGTEY-UHFFFAOYSA-N -1 3 289.295 1.923 10 5 CDBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccsn2)n1 ZINC001533253743 969408238 /nfs/dbraw/zinc/40/82/38/969408238.db2.gz DLOSCBSJYYUGLT-UHFFFAOYSA-N -1 3 253.243 1.037 10 5 CDBEHM O=C(CNC[C@H]1CCCO1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000564936206 365552523 /nfs/dbraw/zinc/55/25/23/365552523.db2.gz FETFGBJNWPGOMI-SNVBAGLBSA-N -1 3 295.295 1.008 10 5 CDBEHM CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593563048 342813043 /nfs/dbraw/zinc/81/30/43/342813043.db2.gz LCKUYBKKXXKCKI-MWLCHTKSSA-N -1 3 299.352 1.847 10 5 CDBEHM O=c1[n-]ccc(N2CCO[C@]3(CCCOC3)C2)c1[N+](=O)[O-] ZINC000596234085 343262320 /nfs/dbraw/zinc/26/23/20/343262320.db2.gz MNRQZVOSXRAIIQ-CYBMUJFWSA-N -1 3 295.295 1.081 10 5 CDBEHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000599682659 344118180 /nfs/dbraw/zinc/11/81/80/344118180.db2.gz GSYSEMYPPQOASJ-CUOATXAZSA-N -1 3 278.308 1.646 10 5 CDBEHM CCc1cc(=NCc2cc(OC)c([O-])cc2[N+](=O)[O-])[nH]o1 ZINC000611480312 346798103 /nfs/dbraw/zinc/79/81/03/346798103.db2.gz MEXRDHUZUJJHRZ-UHFFFAOYSA-N -1 3 293.279 1.893 10 5 CDBEHM C[C@@H](CO)[C@H](C)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000344556005 362937160 /nfs/dbraw/zinc/93/71/60/362937160.db2.gz YVTCNGIEGZMGDR-IUCAKERBSA-N -1 3 254.286 1.407 10 5 CDBEHM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H](CO)C1CCOCC1 ZINC000339082733 359285914 /nfs/dbraw/zinc/28/59/14/359285914.db2.gz WIEHRQFCNCFSOC-ZDUSSCGKSA-N -1 3 296.323 1.178 10 5 CDBEHM CCOC(=O)[C@H](C)[C@@H](C)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000339086230 359288546 /nfs/dbraw/zinc/28/85/46/359288546.db2.gz YBLRQVCGBCMIST-NXEZZACHSA-N -1 3 296.323 1.978 10 5 CDBEHM CCN1CC[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000389980369 365503823 /nfs/dbraw/zinc/50/38/23/365503823.db2.gz KJSBGYGPZAZJJD-VIFPVBQESA-N -1 3 279.296 1.124 10 5 CDBEHM Cc1sc(S(=O)(=O)[N-]C[C@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000343460025 152188363 /nfs/dbraw/zinc/18/83/63/152188363.db2.gz HPPRHYPQRZCUMT-POYBYMJQSA-N -1 3 290.366 1.899 10 5 CDBEHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000343460027 152188809 /nfs/dbraw/zinc/18/88/09/152188809.db2.gz HPPRHYPQRZCUMT-XPUUQOCRSA-N -1 3 290.366 1.899 10 5 CDBEHM O=[N+]([O-])c1ccccc1OCc1nc(-c2cnccn2)n[n-]1 ZINC000072237524 176346065 /nfs/dbraw/zinc/34/60/65/176346065.db2.gz BHNFLACXBJANHZ-UHFFFAOYSA-N -1 3 298.262 1.749 10 5 CDBEHM Cc1ncc([N+](=O)[O-])cc1C(=O)N=c1cc2ccccn2[n-]1 ZINC000553324789 290112222 /nfs/dbraw/zinc/11/22/22/290112222.db2.gz OZVONEXDBQZAKD-UHFFFAOYSA-N -1 3 297.274 1.620 10 5 CDBEHM C[C@@H]1CCN(CCNC(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000562683703 293173925 /nfs/dbraw/zinc/17/39/25/293173925.db2.gz WTMXXUHQBXHMAD-SNVBAGLBSA-N -1 3 293.323 1.372 10 5 CDBEHM CNC(C)(C)C(=O)Nc1ccc([O-])cc1[N+](=O)[O-] ZINC000061300591 521942562 /nfs/dbraw/zinc/94/25/62/521942562.db2.gz WWIJXBYGAUVVSX-UHFFFAOYSA-N -1 3 253.258 1.237 10 5 CDBEHM CO[N-]C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC001588187198 1173014915 /nfs/dbraw/zinc/01/49/15/1173014915.db2.gz MLKFJEKAKJPMQA-UHFFFAOYSA-N -1 3 275.058 1.649 10 5 CDBEHM C[C@H]1Cc2n[nH]cc2CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001164145939 939419822 /nfs/dbraw/zinc/41/98/22/939419822.db2.gz JTHVTBCPIFVPTN-QMMMGPOBSA-N -1 3 289.295 1.617 10 5 CDBEHM Cc1ccc(NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])nc1 ZINC001472885244 970720421 /nfs/dbraw/zinc/72/04/21/970720421.db2.gz MRVBBHYXBKJOGB-UHFFFAOYSA-N -1 3 289.295 1.923 10 5 CDBEHM CN1C[C@H]2[C@@H](CCN2C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000590443315 342546254 /nfs/dbraw/zinc/54/62/54/342546254.db2.gz IEXIFHBEUPJRKH-CABZTGNLSA-N -1 3 291.307 1.077 10 5 CDBEHM CN(CC(=O)NC(C)(C)C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596060718 343222886 /nfs/dbraw/zinc/22/28/86/343222886.db2.gz FHJDWZMBTCSLJW-UHFFFAOYSA-N -1 3 282.300 1.046 10 5 CDBEHM CC(C)n1ncnc1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596223367 343271107 /nfs/dbraw/zinc/27/11/07/343271107.db2.gz NAXRDKQBVNIVGK-UHFFFAOYSA-N -1 3 278.272 1.480 10 5 CDBEHM Cn1ncc(C(=O)[N-]c2ccc(F)cc2F)c1[N+](=O)[O-] ZINC000000166072 359172134 /nfs/dbraw/zinc/17/21/34/359172134.db2.gz JWMDVJJMHZUHBP-UHFFFAOYSA-N -1 3 282.206 1.859 10 5 CDBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCCOC1 ZINC000171542008 375255730 /nfs/dbraw/zinc/25/57/30/375255730.db2.gz FKBIMGNTZGNNSN-SECBINFHSA-N -1 3 286.309 1.052 10 5 CDBEHM NN=c1nc[n-]c(NCc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000040656795 174365558 /nfs/dbraw/zinc/36/55/58/174365558.db2.gz JCNHWKHAZYIWFY-UHFFFAOYSA-N -1 3 278.247 1.422 10 5 CDBEHM CCNCc1ccc(O[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000043641274 175084445 /nfs/dbraw/zinc/08/44/45/175084445.db2.gz VYLAAQYWAVPFJG-QMMMGPOBSA-N -1 3 268.269 1.556 10 5 CDBEHM CC(C)[C@@](C)(CO)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000339199571 519808019 /nfs/dbraw/zinc/80/80/19/519808019.db2.gz BXPWSZHDGYSLGI-CYBMUJFWSA-N -1 3 268.313 1.797 10 5 CDBEHM CNc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2C[C@H]2C)c1 ZINC000052302343 522642698 /nfs/dbraw/zinc/64/26/98/522642698.db2.gz QUGLPBZEALJCOH-APPZFPTMSA-N -1 3 285.325 1.323 10 5 CDBEHM COC[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000714253456 710413979 /nfs/dbraw/zinc/41/39/79/710413979.db2.gz GVXTWJHXRBDAGV-OCAPTIKFSA-N -1 3 253.258 1.532 10 5 CDBEHM COc1ccc([O-])c(C(=O)Nc2cc([N+](=O)[O-])n[nH]2)c1 ZINC001638119238 1166820666 /nfs/dbraw/zinc/82/06/66/1166820666.db2.gz NZCFSJIPCMQABZ-UHFFFAOYSA-N -1 3 278.224 1.284 10 5 CDBEHM O=c1[n-]ccc(NC[C@@H](O)c2ccco2)c1[N+](=O)[O-] ZINC001639260888 1166918291 /nfs/dbraw/zinc/91/82/91/1166918291.db2.gz OHJHLIKVQUXZMS-MRVPVSSYSA-N -1 3 265.225 1.434 10 5 CDBEHM Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(O)cc1[O-] ZINC001176506178 914155730 /nfs/dbraw/zinc/15/57/30/914155730.db2.gz BRJCMNYVQAJGSF-UHFFFAOYSA-N -1 3 289.247 1.841 10 5 CDBEHM O=c1[n-]ccc(N[C@@H]2CCC3(C2)OCCO3)c1[N+](=O)[O-] ZINC001185958250 919829741 /nfs/dbraw/zinc/82/97/41/919829741.db2.gz QKMXLDXKMIEZAB-MRVPVSSYSA-N -1 3 281.268 1.403 10 5 CDBEHM Cn1cc([N+](=O)[O-])c([N-]c2cnn(CC(F)F)c2)n1 ZINC001458197655 969268546 /nfs/dbraw/zinc/26/85/46/969268546.db2.gz NUXLMMIHEFHQAW-UHFFFAOYSA-N -1 3 272.215 1.534 10 5 CDBEHM CCCn1cc([N-]c2nn(C)cc2[N+](=O)[O-])cn1 ZINC001458201305 969269329 /nfs/dbraw/zinc/26/93/29/969269329.db2.gz GTGBPRNLYCTPIT-UHFFFAOYSA-N -1 3 250.262 1.678 10 5 CDBEHM O=C(CNC[C@@H]1CCCO1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000564936205 365550315 /nfs/dbraw/zinc/55/03/15/365550315.db2.gz FETFGBJNWPGOMI-JTQLQIEISA-N -1 3 295.295 1.008 10 5 CDBEHM CC(C)(F)C[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000601476478 342566038 /nfs/dbraw/zinc/56/60/38/342566038.db2.gz QVXUCJBMPGXCQY-UHFFFAOYSA-N -1 3 290.316 1.762 10 5 CDBEHM CN1CCC[C@@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000611554688 346823013 /nfs/dbraw/zinc/82/30/13/346823013.db2.gz SPSSFXSIJGKMNO-SNVBAGLBSA-N -1 3 279.296 1.124 10 5 CDBEHM CCC[C@H](CC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593536051 342809734 /nfs/dbraw/zinc/80/97/34/342809734.db2.gz JJFPSZZFACFFIR-VIFPVBQESA-N -1 3 287.341 1.847 10 5 CDBEHM O=c1[n-]ccc(NCC[C@@H](O)C(F)(F)F)c1[N+](=O)[O-] ZINC000596125995 343237253 /nfs/dbraw/zinc/23/72/53/343237253.db2.gz SLEAMJOFOKDHCY-ZCFIWIBFSA-N -1 3 281.190 1.421 10 5 CDBEHM C/C=C\C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000599481305 344070473 /nfs/dbraw/zinc/07/04/73/344070473.db2.gz JRSFQTTULSHIBE-ARJAWSKDSA-N -1 3 270.310 1.758 10 5 CDBEHM COc1ccc([N-]C(=O)c2ccc([N+](=O)[O-])o2)nc1 ZINC000610244431 346228469 /nfs/dbraw/zinc/22/84/69/346228469.db2.gz KMPHSVIRELWYBZ-UHFFFAOYSA-N -1 3 263.209 1.844 10 5 CDBEHM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cnc2nc[nH]c2c1 ZINC000614271695 348051506 /nfs/dbraw/zinc/05/15/06/348051506.db2.gz YHTVRZHEGJRPIN-UHFFFAOYSA-N -1 3 299.246 1.824 10 5 CDBEHM CN(CCN1CCCC1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338993019 359262864 /nfs/dbraw/zinc/26/28/64/359262864.db2.gz GLTLWUFZEUVBHB-UHFFFAOYSA-N -1 3 279.340 1.828 10 5 CDBEHM COc1nnc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)[n-]1 ZINC000135884923 360142538 /nfs/dbraw/zinc/14/25/38/360142538.db2.gz GOUUSDUQEISUJA-UHFFFAOYSA-N -1 3 277.240 1.282 10 5 CDBEHM COc1nc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)n[n-]1 ZINC000135884923 360142541 /nfs/dbraw/zinc/14/25/41/360142541.db2.gz GOUUSDUQEISUJA-UHFFFAOYSA-N -1 3 277.240 1.282 10 5 CDBEHM COc1n[n-]c(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)n1 ZINC000135884923 360142543 /nfs/dbraw/zinc/14/25/43/360142543.db2.gz GOUUSDUQEISUJA-UHFFFAOYSA-N -1 3 277.240 1.282 10 5 CDBEHM CC(C)CC(=O)[N-]N1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000018051728 170741098 /nfs/dbraw/zinc/74/10/98/170741098.db2.gz TXLQGWRPFPSMSP-UHFFFAOYSA-N -1 3 291.263 1.268 10 5 CDBEHM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000035101471 171979305 /nfs/dbraw/zinc/97/93/05/171979305.db2.gz NFOHDTLTSLWZBT-UHFFFAOYSA-N -1 3 276.701 1.689 10 5 CDBEHM C[C@H]1CCN(CCNC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000552285949 290063416 /nfs/dbraw/zinc/06/34/16/290063416.db2.gz HAEORRSTRJFCPP-JTQLQIEISA-N -1 3 293.323 1.372 10 5 CDBEHM CC[C@H](C)[N-]S(=O)(=O)c1c(N)cc([N+](=O)[O-])cc1F ZINC000050637546 524004548 /nfs/dbraw/zinc/00/45/48/524004548.db2.gz UANRQSRVWPBHEY-LURJTMIESA-N -1 3 291.304 1.393 10 5 CDBEHM Cc1cc([N-]C(=O)c2cc(NN)c(F)cc2[N+](=O)[O-])no1 ZINC000051096080 525241474 /nfs/dbraw/zinc/24/14/74/525241474.db2.gz IQLUTFMOGFHLCQ-UHFFFAOYSA-N -1 3 295.230 1.568 10 5 CDBEHM O=C(NCCN1CCCCC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000236560879 526307699 /nfs/dbraw/zinc/30/76/99/526307699.db2.gz QYGMTVCMXVGGOT-UHFFFAOYSA-N -1 3 293.323 1.516 10 5 CDBEHM O=C(Nc1cccc([O-])c1F)c1c[nH]nc1[N+](=O)[O-] ZINC001623168730 1165751543 /nfs/dbraw/zinc/75/15/43/1165751543.db2.gz UZCFWBNNSSKCMN-UHFFFAOYSA-N -1 3 266.188 1.415 10 5 CDBEHM CCOC(OCC)[C@@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001651533420 1171332209 /nfs/dbraw/zinc/33/22/09/1171332209.db2.gz YJLZXTLJSNUVRQ-MRVPVSSYSA-N -1 3 285.300 1.895 10 5 CDBEHM CC[S@@](C)(=O)=NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC001584709858 1172844689 /nfs/dbraw/zinc/84/46/89/1172844689.db2.gz GTPJGZCSUTYVMZ-HXUWFJFHSA-N -1 3 296.308 1.729 10 5 CDBEHM Cc1cc(S(=O)(=O)[N-][C@@H]2C=CCC2)c([N+](=O)[O-])s1 ZINC000867505957 712500566 /nfs/dbraw/zinc/50/05/66/712500566.db2.gz KDTSXYQVOAXWPO-MRVPVSSYSA-N -1 3 288.350 1.962 10 5 CDBEHM CN(Cc1cccnc1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001184515995 919189719 /nfs/dbraw/zinc/18/97/19/919189719.db2.gz JQTLWUORKYVJGJ-UHFFFAOYSA-N -1 3 260.253 1.727 10 5 CDBEHM COC(=O)C[C@@H]1CCC[C@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001164383788 939469357 /nfs/dbraw/zinc/46/93/57/939469357.db2.gz NWYATXGYSKBDNJ-DTWKUNHWSA-N -1 3 295.295 1.839 10 5 CDBEHM O=C(NCCc1cccc([N+](=O)[O-])c1)c1cc(=O)[n-]cn1 ZINC001295919448 954768178 /nfs/dbraw/zinc/76/81/78/954768178.db2.gz YGBRQNISLREBMN-UHFFFAOYSA-N -1 3 288.263 1.063 10 5 CDBEHM CN1C[C@H]2[C@@H](CCN2C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000590447465 342546749 /nfs/dbraw/zinc/54/67/49/342546749.db2.gz XRBKSOCTCWNOPZ-ZANVPECISA-N -1 3 291.307 1.077 10 5 CDBEHM C[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593590664 342814864 /nfs/dbraw/zinc/81/48/64/342814864.db2.gz KWXFGBNHWGXKFQ-UWVGGRQHSA-N -1 3 299.352 1.704 10 5 CDBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2[C@@H]3CCC[C@@H]32)nc1 ZINC000593589511 342814944 /nfs/dbraw/zinc/81/49/44/342814944.db2.gz VLOCPOBUHKUJDV-JZYVYDRUSA-N -1 3 283.309 1.067 10 5 CDBEHM CC1(C2([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cn3)CC2)CC1 ZINC000593605372 342818174 /nfs/dbraw/zinc/81/81/74/342818174.db2.gz RYGYCBGKJFNLEH-UHFFFAOYSA-N -1 3 297.336 1.601 10 5 CDBEHM Cc1c(CN2CC3CC2(C(=O)[O-])C3)cccc1[N+](=O)[O-] ZINC000594734001 342949653 /nfs/dbraw/zinc/94/96/53/342949653.db2.gz LAOLUAHEIWVTGE-UHFFFAOYSA-N -1 3 276.292 1.952 10 5 CDBEHM COCC[C@@H](COC)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596235699 343282392 /nfs/dbraw/zinc/28/23/92/343282392.db2.gz FSBXKRFHGZYBHF-QMMMGPOBSA-N -1 3 271.273 1.159 10 5 CDBEHM O=c1[n-]ccc(N[C@@H]2C[C@@H](O)C23CCC3)c1[N+](=O)[O-] ZINC000596502668 343337561 /nfs/dbraw/zinc/33/75/61/343337561.db2.gz FOWJAZLLDMXPLX-RKDXNWHRSA-N -1 3 265.269 1.411 10 5 CDBEHM CCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@@H]1CCN(C)C1 ZINC000597947232 343676196 /nfs/dbraw/zinc/67/61/96/343676196.db2.gz WFOKGBIOSUJZTQ-SNVBAGLBSA-N -1 3 293.323 1.467 10 5 CDBEHM COc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[n-]1 ZINC000158170410 237122697 /nfs/dbraw/zinc/12/26/97/237122697.db2.gz FWGXERGGTJMFAU-UHFFFAOYSA-N -1 3 297.658 1.627 10 5 CDBEHM COc1n[n-]c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000158170410 237122710 /nfs/dbraw/zinc/12/27/10/237122710.db2.gz FWGXERGGTJMFAU-UHFFFAOYSA-N -1 3 297.658 1.627 10 5 CDBEHM COc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n[n-]1 ZINC000158170410 237122721 /nfs/dbraw/zinc/12/27/21/237122721.db2.gz FWGXERGGTJMFAU-UHFFFAOYSA-N -1 3 297.658 1.627 10 5 CDBEHM Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc([O-])cc2F)n1 ZINC000436750181 359693750 /nfs/dbraw/zinc/69/37/50/359693750.db2.gz WGMUVBPVBRNFKI-UHFFFAOYSA-N -1 3 280.215 1.425 10 5 CDBEHM CO[C@H]1C[C@H](CC(=O)[O-])N(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000520418032 371904952 /nfs/dbraw/zinc/90/49/52/371904952.db2.gz SKGCVEQWEAPJQA-OLZOCXBDSA-N -1 3 294.307 1.659 10 5 CDBEHM COc1nnc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)[n-]1 ZINC000421796302 374331605 /nfs/dbraw/zinc/33/16/05/374331605.db2.gz NNYQWJCBUOHIEQ-UHFFFAOYSA-N -1 3 291.267 1.591 10 5 CDBEHM COc1nc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)n[n-]1 ZINC000421796302 374331610 /nfs/dbraw/zinc/33/16/10/374331610.db2.gz NNYQWJCBUOHIEQ-UHFFFAOYSA-N -1 3 291.267 1.591 10 5 CDBEHM COc1n[n-]c(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)n1 ZINC000421796302 374331614 /nfs/dbraw/zinc/33/16/14/374331614.db2.gz NNYQWJCBUOHIEQ-UHFFFAOYSA-N -1 3 291.267 1.591 10 5 CDBEHM COc1cc(CN[C@H]2CC23CC3)c([N+](=O)[O-])cc1[O-] ZINC000424183581 246376200 /nfs/dbraw/zinc/37/62/00/246376200.db2.gz JUOHUEUXJKUWSI-LBPRGKRZSA-N -1 3 264.281 1.951 10 5 CDBEHM O=C(NCc1ncccc1[O-])c1ccc(F)cc1[N+](=O)[O-] ZINC000352500601 155230767 /nfs/dbraw/zinc/23/07/67/155230767.db2.gz KQQDILNMNXUDTB-UHFFFAOYSA-N -1 3 291.238 1.765 10 5 CDBEHM O=[N+]([O-])c1ccc(CNCc2ncccc2[O-])cc1 ZINC000348130607 153787807 /nfs/dbraw/zinc/78/78/07/153787807.db2.gz LXPYDFCRYZCDRU-UHFFFAOYSA-N -1 3 259.265 1.985 10 5 CDBEHM COc1ccc([N+](=O)[O-])cc1CNCCCC(=O)[O-] ZINC000035423320 172191728 /nfs/dbraw/zinc/19/17/28/172191728.db2.gz XLFXTXLHEGWQAD-UHFFFAOYSA-N -1 3 268.269 1.558 10 5 CDBEHM O=[N+]([O-])c1ccc(Cc2nnn[n-]2)c(Br)c1 ZINC000037460589 173224838 /nfs/dbraw/zinc/22/48/38/173224838.db2.gz STLXDIWHBRCXFC-UHFFFAOYSA-N -1 3 284.073 1.461 10 5 CDBEHM O=[N+]([O-])c1ccc(Cc2nn[n-]n2)c(Br)c1 ZINC000037460589 173224840 /nfs/dbraw/zinc/22/48/40/173224840.db2.gz STLXDIWHBRCXFC-UHFFFAOYSA-N -1 3 284.073 1.461 10 5 CDBEHM O=C([N-]c1cnns1)c1ccc([N+](=O)[O-])cn1 ZINC000565868011 293699130 /nfs/dbraw/zinc/69/91/30/293699130.db2.gz RHTXNGRXUSDKEO-UHFFFAOYSA-N -1 3 251.227 1.094 10 5 CDBEHM CC[C@@H](C)[N-]S(=O)(=O)c1cc(NC)ccc1[N+](=O)[O-] 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955820839 /nfs/dbraw/zinc/82/08/39/955820839.db2.gz XIUMZJSWIOULFH-UHFFFAOYSA-N -1 3 276.339 1.796 10 5 CDBEHM COCc1csc([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])n1 ZINC001319656144 958676271 /nfs/dbraw/zinc/67/62/71/958676271.db2.gz BTUQYKZINKIDTD-UHFFFAOYSA-N -1 3 297.296 1.184 10 5 CDBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2C[C@H]2C)c1C ZINC000585740935 342455027 /nfs/dbraw/zinc/45/50/27/342455027.db2.gz BOJKLVUKMACSKD-PSASIEDQSA-N -1 3 284.337 1.898 10 5 CDBEHM Cc1ccc(C(=O)[N-]C(=O)c2cncc([N+](=O)[O-])c2)cc1 ZINC000199782026 341979418 /nfs/dbraw/zinc/97/94/18/341979418.db2.gz PTFOXIQQIFDCAT-UHFFFAOYSA-N -1 3 285.259 1.868 10 5 CDBEHM C[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593593030 342815129 /nfs/dbraw/zinc/81/51/29/342815129.db2.gz ZZVZVRVDJNWOJK-VHSXEESVSA-N -1 3 299.352 1.704 10 5 CDBEHM C[C@H](O)C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596119022 343232637 /nfs/dbraw/zinc/23/26/37/343232637.db2.gz IUMYIFVOLKHEQG-QMMMGPOBSA-N -1 3 267.285 1.293 10 5 CDBEHM CCN(C(=O)c1cccc([O-])c1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000597947220 343675968 /nfs/dbraw/zinc/67/59/68/343675968.db2.gz VVPSFXVGTKWVRB-SNVBAGLBSA-N -1 3 293.323 1.467 10 5 CDBEHM Cc1cc([N-]c2c([N+](=O)[O-])ncn2C)nn1[C@H](C)C1CC1 ZINC000612094641 347014464 /nfs/dbraw/zinc/01/44/64/347014464.db2.gz MYEJEDNIUQEFGU-SECBINFHSA-N -1 3 290.327 1.970 10 5 CDBEHM Cc1nc([N-]C(=O)c2n[nH]c(C)c2[N+](=O)[O-])cs1 ZINC000343020509 362282868 /nfs/dbraw/zinc/28/28/68/362282868.db2.gz QBWBRJVMHCRMTA-UHFFFAOYSA-N -1 3 267.270 1.644 10 5 CDBEHM O=C([N-]C(=O)c1ccnc([N+](=O)[O-])c1)c1ccccc1 ZINC000059881465 344137470 /nfs/dbraw/zinc/13/74/70/344137470.db2.gz YYEUVRJYXCYEQE-UHFFFAOYSA-N -1 3 271.232 1.560 10 5 CDBEHM Cn1cnc([N+](=O)[O-])c1[N-]c1cnn(C)c1C(F)F ZINC000611143770 346620328 /nfs/dbraw/zinc/62/03/28/346620328.db2.gz CZGMDYOYPNMKSP-UHFFFAOYSA-N -1 3 272.215 1.743 10 5 CDBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCCCF ZINC000360245802 356918934 /nfs/dbraw/zinc/91/89/34/356918934.db2.gz 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Cn1cc([N+](=O)[O-])c(NCc2cc(=O)[n-]c(C3CC3)n2)n1 ZINC001612912163 1165526281 /nfs/dbraw/zinc/52/62/81/1165526281.db2.gz BRMYICCROSWEDJ-UHFFFAOYSA-N -1 3 290.283 1.313 10 5 CDBEHM CC(C)COC1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001639650726 1166958255 /nfs/dbraw/zinc/95/82/55/1166958255.db2.gz PCQSFFSMCKTDRU-UHFFFAOYSA-N -1 3 267.285 1.557 10 5 CDBEHM O=c1cc(CNc2ccc([N+](=O)[O-])cn2)nc(C2CC2)[n-]1 ZINC001643188037 1167232507 /nfs/dbraw/zinc/23/25/07/1167232507.db2.gz YQCHSWFTDMNKIY-UHFFFAOYSA-N -1 3 287.279 1.975 10 5 CDBEHM Cc1nc(SCCc2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001651166200 1171295500 /nfs/dbraw/zinc/29/55/00/1171295500.db2.gz GYGAHLQVMXSXDG-UHFFFAOYSA-N -1 3 266.286 1.146 10 5 CDBEHM Cc1nc(SCCc2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001651166200 1171295506 /nfs/dbraw/zinc/29/55/06/1171295506.db2.gz GYGAHLQVMXSXDG-UHFFFAOYSA-N -1 3 266.286 1.146 10 5 CDBEHM O=c1cc(CNc2cccnc2[N+](=O)[O-])nc(C2CC2)[n-]1 ZINC001655852807 1171729813 /nfs/dbraw/zinc/72/98/13/1171729813.db2.gz 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342548908 /nfs/dbraw/zinc/54/89/08/342548908.db2.gz ZQVDDGVOFRITHU-UHFFFAOYSA-N -1 3 294.354 1.280 10 5 CDBEHM Cc1sc(S(=O)(=O)[N-]CC(C)(C)F)cc1[N+](=O)[O-] ZINC000601476715 342566130 /nfs/dbraw/zinc/56/61/30/342566130.db2.gz YQWYZCJTUGQCPE-UHFFFAOYSA-N -1 3 296.345 1.991 10 5 CDBEHM O=c1[n-]ccc(SC2CCOCC2)c1[N+](=O)[O-] ZINC000596175061 343260412 /nfs/dbraw/zinc/26/04/12/343260412.db2.gz KNZVXHOYMYQRSL-UHFFFAOYSA-N -1 3 256.283 1.967 10 5 CDBEHM Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](c3nnn[n-]3)C2)c1 ZINC000161008890 359979256 /nfs/dbraw/zinc/97/92/56/359979256.db2.gz VFABJXIHORRKJP-JTQLQIEISA-N -1 3 288.311 1.800 10 5 CDBEHM Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](c3nn[n-]n3)C2)c1 ZINC000161008890 359979260 /nfs/dbraw/zinc/97/92/60/359979260.db2.gz VFABJXIHORRKJP-JTQLQIEISA-N -1 3 288.311 1.800 10 5 CDBEHM CCCn1cc([N-]c2ncc([N+](=O)[O-])cc2C(N)=O)cn1 ZINC000301435229 201008195 /nfs/dbraw/zinc/00/81/95/201008195.db2.gz HGZVDYNMKVRSGA-UHFFFAOYSA-N -1 3 290.283 1.439 10 5 CDBEHM Cc1sc(C(=O)[N-]c2ncnn2C)cc1[N+](=O)[O-] ZINC000150961752 526874972 /nfs/dbraw/zinc/87/49/72/526874972.db2.gz DVSRIMMGAJMVDH-UHFFFAOYSA-N -1 3 267.270 1.346 10 5 CDBEHM CN(Cc1cccc(=O)[nH]1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001187708441 920618137 /nfs/dbraw/zinc/61/81/37/920618137.db2.gz GSDMGGJAQNQGIK-UHFFFAOYSA-N -1 3 276.252 1.432 10 5 CDBEHM CNc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1coc(OC)n1 ZINC001143093361 937119208 /nfs/dbraw/zinc/11/92/08/937119208.db2.gz RGSVDJZPPGGSAY-UHFFFAOYSA-N -1 3 292.251 1.885 10 5 CDBEHM COc1nn(C)cc1C(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC001264206907 944099121 /nfs/dbraw/zinc/09/91/21/944099121.db2.gz CNAXYZJLVRQQBQ-UHFFFAOYSA-N -1 3 294.242 1.728 10 5 CDBEHM O=C1CCC2=C(CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)N1 ZINC001328039494 955169626 /nfs/dbraw/zinc/16/96/26/955169626.db2.gz PTCGQLXYWXUNSY-UHFFFAOYSA-N -1 3 290.279 1.070 10 5 CDBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(F)ccn2)n1 ZINC001437465331 962929951 /nfs/dbraw/zinc/92/99/51/962929951.db2.gz 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342455023 /nfs/dbraw/zinc/45/50/23/342455023.db2.gz RXHMCOPQHWIGTP-NXEZZACHSA-N -1 3 284.337 1.898 10 5 CDBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1C[C@H]1C ZINC000585741052 342455117 /nfs/dbraw/zinc/45/51/17/342455117.db2.gz SWSCEOKQKDQWEH-VXNVDRBHSA-N -1 3 286.309 1.290 10 5 CDBEHM Cc1cc(C)c([N+](=O)[O-])c([N-]c2cnn(CCO)c2)n1 ZINC000611616598 346838230 /nfs/dbraw/zinc/83/82/30/346838230.db2.gz GFNWKYUQFIVMDZ-UHFFFAOYSA-N -1 3 277.284 1.539 10 5 CDBEHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C1CCCC1 ZINC000593543860 342810505 /nfs/dbraw/zinc/81/05/05/342810505.db2.gz HKTCDDZMZKALRG-VIFPVBQESA-N -1 3 299.352 1.847 10 5 CDBEHM CC1(C)C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CO1 ZINC000596311196 343300199 /nfs/dbraw/zinc/30/01/99/343300199.db2.gz MOTBLDIMFJJLQA-SSDOTTSWSA-N -1 3 253.258 1.675 10 5 CDBEHM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]C(=O)c1ccccc1 ZINC000140907859 342447921 /nfs/dbraw/zinc/44/79/21/342447921.db2.gz NCQFZSHHVLSEFS-UHFFFAOYSA-N -1 3 285.259 1.868 10 5 CDBEHM 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O=[N+]([O-])c1ccc2[nH]c(SCCc3nn[n-]n3)nc2c1 ZINC001559218092 965414523 /nfs/dbraw/zinc/41/45/23/965414523.db2.gz LBSJJUTYXSXOMV-UHFFFAOYSA-N -1 3 291.296 1.319 10 5 CDBEHM Cc1nc([N-]C(=O)c2cccc([N+](=O)[O-])c2Cl)nn1C ZINC001450333680 967690871 /nfs/dbraw/zinc/69/08/71/967690871.db2.gz IMQWQEOKZOIUOX-UHFFFAOYSA-N -1 3 295.686 1.937 10 5 CDBEHM CC(C)c1cc(C(=O)[N-]c2c([N+](=O)[O-])cnn2C)on1 ZINC001523559569 970733352 /nfs/dbraw/zinc/73/33/52/970733352.db2.gz UFHUFHIGKMWASZ-UHFFFAOYSA-N -1 3 279.256 1.692 10 5 CDBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCCF)nc1 ZINC000593599954 342817605 /nfs/dbraw/zinc/81/76/05/342817605.db2.gz ZYPAXEKDZBBJPW-UHFFFAOYSA-N -1 3 277.277 1.018 10 5 CDBEHM CCn1nnc(C)c1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000599090997 343952168 /nfs/dbraw/zinc/95/21/68/343952168.db2.gz VMSVKGVMANRBJP-UHFFFAOYSA-N -1 3 278.272 1.227 10 5 CDBEHM CSCC[C@@H](N)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000568863461 294113240 /nfs/dbraw/zinc/11/32/40/294113240.db2.gz 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CN1C[C@@H]2CCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])[C@@H]2C1 ZINC000590445660 342546687 /nfs/dbraw/zinc/54/66/87/342546687.db2.gz QNIMHOHLCXHBIQ-GXSJLCMTSA-N -1 3 291.307 1.077 10 5 CDBEHM CSCC[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601289988 342549532 /nfs/dbraw/zinc/54/95/32/342549532.db2.gz YNXBUMCPHGKDIV-UHFFFAOYSA-N -1 3 296.395 1.606 10 5 CDBEHM O=c1[n-]ccc(N[C@@H]2CO[C@@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000599180862 343983502 /nfs/dbraw/zinc/98/35/02/343983502.db2.gz NHEQNGDDRDVCJG-WCBMZHEXSA-N -1 3 265.269 1.675 10 5 CDBEHM CC(C)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])[C@]1(O)CCOC1 ZINC000596289131 343289008 /nfs/dbraw/zinc/28/90/08/343289008.db2.gz VGKZXBBAQWYZST-ZDUSSCGKSA-N -1 3 297.311 1.285 10 5 CDBEHM COc1nnc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)[n-]1 ZINC000158900229 390942828 /nfs/dbraw/zinc/94/28/28/390942828.db2.gz GXYZTSRQLGEPIF-UHFFFAOYSA-N -1 3 281.203 1.113 10 5 CDBEHM COc1nc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)n[n-]1 ZINC000158900229 390942829 /nfs/dbraw/zinc/94/28/29/390942829.db2.gz 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812093286 /nfs/dbraw/zinc/09/32/86/812093286.db2.gz AHOXCWWVAKOMJB-UHFFFAOYSA-N -1 3 288.263 1.208 10 5 CDBEHM CCc1cnc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])o1 ZINC001179416017 915838299 /nfs/dbraw/zinc/83/82/99/915838299.db2.gz VLBTUPRGUWKKKG-UHFFFAOYSA-N -1 3 251.202 1.121 10 5 CDBEHM Cc1ncncc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001559041793 965394620 /nfs/dbraw/zinc/39/46/20/965394620.db2.gz APPXESLWWXBHPP-UHFFFAOYSA-N -1 3 275.224 1.046 10 5 CDBEHM C[C@@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])[C@H](C)O1 ZINC000601223773 342527750 /nfs/dbraw/zinc/52/77/50/342527750.db2.gz MYTRRRJGJNFMDY-BKPPORCPSA-N -1 3 253.258 1.673 10 5 CDBEHM CN(C(=O)c1cccc([O-])c1[N+](=O)[O-])[C@@H]1CCCN(C)C1 ZINC000281038635 195078830 /nfs/dbraw/zinc/07/88/30/195078830.db2.gz WBHWEANUGWHNHI-SNVBAGLBSA-N -1 3 293.323 1.467 10 5 CDBEHM N=C1N[N-]C(=O)/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000006882807 170252934 /nfs/dbraw/zinc/25/29/34/170252934.db2.gz QABZUIUPYQWBCF-YRNVUSSQSA-N -1 3 298.258 1.850 10 5 CDBEHM NN=c1nc[n-]c(N2CCCCCC2)c1[N+](=O)[O-] ZINC000040610074 174353391 /nfs/dbraw/zinc/35/33/91/174353391.db2.gz BEGJBOLYLINXQS-UHFFFAOYSA-N -1 3 252.278 1.051 10 5 CDBEHM NN=c1nc[n-]c(Nc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000040649360 174365065 /nfs/dbraw/zinc/36/50/65/174365065.db2.gz QRCURFULLAUGDZ-UHFFFAOYSA-N -1 3 264.220 1.553 10 5 CDBEHM O=C([O-])C1(CN2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000570404039 294232857 /nfs/dbraw/zinc/23/28/57/294232857.db2.gz ZSWNMPVJTQYCCK-UHFFFAOYSA-N -1 3 276.292 1.818 10 5 CDBEHM CCCCC[N-]S(=O)(=O)c1cc(N)ccc1[N+](=O)[O-] ZINC000050631939 520225770 /nfs/dbraw/zinc/22/57/70/520225770.db2.gz LYGSCYNDCUFXJC-UHFFFAOYSA-N -1 3 287.341 1.646 10 5 CDBEHM CCc1ccc(NC(=O)c2nnc(N)[n-]2)cc1[N+](=O)[O-] ZINC000055166440 523993548 /nfs/dbraw/zinc/99/35/48/523993548.db2.gz UCKLFXNFUVZMML-UHFFFAOYSA-N -1 3 276.256 1.110 10 5 CDBEHM CCc1ccc(NC(=O)c2nc(N)n[n-]2)cc1[N+](=O)[O-] ZINC000055166440 523993550 /nfs/dbraw/zinc/99/35/50/523993550.db2.gz UCKLFXNFUVZMML-UHFFFAOYSA-N -1 3 276.256 1.110 10 5 CDBEHM CCc1ccc(NC(=O)c2n[n-]c(N)n2)cc1[N+](=O)[O-] ZINC000055166440 523993554 /nfs/dbraw/zinc/99/35/54/523993554.db2.gz UCKLFXNFUVZMML-UHFFFAOYSA-N -1 3 276.256 1.110 10 5 CDBEHM CCO[N-]C(=O)CNCc1ccc([N+](=O)[O-])cc1C ZINC000846084577 819195015 /nfs/dbraw/zinc/19/50/15/819195015.db2.gz FYJVUCGMBCBVIO-UHFFFAOYSA-N -1 3 267.285 1.061 10 5 CDBEHM CCOC(=O)C1=CC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000858736146 819881608 /nfs/dbraw/zinc/88/16/08/819881608.db2.gz LROUSBQPVFXSHC-VIFPVBQESA-N -1 3 293.279 1.759 10 5 CDBEHM O=C([O-])[C@@H]1[C@@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000721156690 820042841 /nfs/dbraw/zinc/04/28/41/820042841.db2.gz WZCDJZKDTBYKES-FRRDWIJNSA-N -1 3 276.292 1.747 10 5 CDBEHM C[C@H]1CCCN1CCNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000807271746 820352130 /nfs/dbraw/zinc/35/21/30/820352130.db2.gz LCEOJEKWNWAYGF-JTQLQIEISA-N -1 3 293.323 1.515 10 5 CDBEHM O=c1[n-]ccc(NCc2ccc(CCO)cc2)c1[N+](=O)[O-] ZINC001187842148 920680988 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NC(=O)[C@H]1CCC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596133706 343238938 /nfs/dbraw/zinc/23/89/38/343238938.db2.gz KHIWHPOHFQTVRZ-YUMQZZPRSA-N -1 3 280.284 1.151 10 5 CDBEHM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCN3CCC[C@H]3C2)c1 ZINC000250912590 344051451 /nfs/dbraw/zinc/05/14/51/344051451.db2.gz YIGOVUHPSSXAKQ-NSHDSACASA-N -1 3 291.307 1.577 10 5 CDBEHM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCN2CCC[C@H]2C1 ZINC000186052889 357606549 /nfs/dbraw/zinc/60/65/49/357606549.db2.gz ODEKWSAAESVXSM-NSHDSACASA-N -1 3 291.307 1.221 10 5 CDBEHM CC[C@@H](NC(=O)c1c[n-]nn1)c1cccc([N+](=O)[O-])c1 ZINC000177807643 189071376 /nfs/dbraw/zinc/07/13/76/189071376.db2.gz FTNOJPQMPWMTLO-SNVBAGLBSA-N -1 3 275.268 1.594 10 5 CDBEHM CC[C@@H](NC(=O)c1cnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000177807643 189071377 /nfs/dbraw/zinc/07/13/77/189071377.db2.gz FTNOJPQMPWMTLO-SNVBAGLBSA-N -1 3 275.268 1.594 10 5 CDBEHM CC[C@@H](NC(=O)c1cn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000177807643 189071378 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CC(C)CN(CC(C)C)c1[n-]cnc(=NN)c1[N+](=O)[O-] ZINC000040613926 174353681 /nfs/dbraw/zinc/35/36/81/174353681.db2.gz ZYUPBJWEIVCIOS-UHFFFAOYSA-N -1 3 282.348 1.789 10 5 CDBEHM C[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000183361664 277036852 /nfs/dbraw/zinc/03/68/52/277036852.db2.gz ROCDAARDHFBTRX-UHFFFAOYSA-N -1 3 264.690 1.465 10 5 CDBEHM CO[C@H]1C[C@H](CC(=O)[O-])N(Cc2ccccc2[N+](=O)[O-])C1 ZINC000570933816 294337043 /nfs/dbraw/zinc/33/70/43/294337043.db2.gz NVFWIDOGQHEMLQ-NEPJUHHUSA-N -1 3 294.307 1.659 10 5 CDBEHM NC1(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CCC1 ZINC000571998268 294537471 /nfs/dbraw/zinc/53/74/71/294537471.db2.gz FFWKVIYLYLEFBB-UHFFFAOYSA-N -1 3 251.242 1.120 10 5 CDBEHM O=C([O-])C1=CC[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000901731264 624422423 /nfs/dbraw/zinc/42/24/23/624422423.db2.gz MCNUETYJKZYPIW-VIFPVBQESA-N -1 3 268.294 1.919 10 5 CDBEHM COc1nnccc1[N-]C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001129558830 1162484104 /nfs/dbraw/zinc/48/41/04/1162484104.db2.gz 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342811781 /nfs/dbraw/zinc/81/17/81/342811781.db2.gz CYPPTJVOHAELNC-UHFFFAOYSA-N -1 3 299.352 1.848 10 5 CDBEHM C[C@@H]1C[C@@H]1N1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1=O ZINC000596141122 343241610 /nfs/dbraw/zinc/24/16/10/343241610.db2.gz GMWFYVNADFLMQD-MRTMQBJTSA-N -1 3 292.295 1.117 10 5 CDBEHM COCC1(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596287478 343288805 /nfs/dbraw/zinc/28/88/05/343288805.db2.gz VFKGSVKBQHCOOA-UHFFFAOYSA-N -1 3 267.285 1.924 10 5 CDBEHM Cc1sc(S(=O)(=O)[N-]CC[C@H](C)F)cc1[N+](=O)[O-] ZINC000339033665 359280096 /nfs/dbraw/zinc/28/00/96/359280096.db2.gz FVRXYPMBURFAAY-LURJTMIESA-N -1 3 296.345 1.991 10 5 CDBEHM COc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)[n-]1 ZINC000158197910 237125260 /nfs/dbraw/zinc/12/52/60/237125260.db2.gz MNYZMQTYCUEYSZ-UHFFFAOYSA-N -1 3 277.240 1.282 10 5 CDBEHM COc1nc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)n[n-]1 ZINC000158197910 237125273 /nfs/dbraw/zinc/12/52/73/237125273.db2.gz MNYZMQTYCUEYSZ-UHFFFAOYSA-N -1 3 277.240 1.282 10 5 CDBEHM COc1n[n-]c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000158197910 237125284 /nfs/dbraw/zinc/12/52/84/237125284.db2.gz MNYZMQTYCUEYSZ-UHFFFAOYSA-N -1 3 277.240 1.282 10 5 CDBEHM Nc1c([O-])cc(Cn2nnc3ccccc32)cc1[N+](=O)[O-] ZINC000005332329 170086695 /nfs/dbraw/zinc/08/66/95/170086695.db2.gz QMLQFSGOOJYWBF-UHFFFAOYSA-N -1 3 285.263 1.676 10 5 CDBEHM CCc1coc([N-]C(=O)c2nn(CC)cc2[N+](=O)[O-])n1 ZINC000564465225 293361750 /nfs/dbraw/zinc/36/17/50/293361750.db2.gz HTJPYVHNROBMBX-UHFFFAOYSA-N -1 3 279.256 1.614 10 5 CDBEHM CCC(C)(C)[N-]S(=O)(=O)c1cc(N)ccc1[N+](=O)[O-] ZINC000050636357 521351706 /nfs/dbraw/zinc/35/17/06/521351706.db2.gz BWEUYOHLOCXYEO-UHFFFAOYSA-N -1 3 287.341 1.644 10 5 CDBEHM CC[C@@H](C)[N-]S(=O)(=O)c1c(N)cc([N+](=O)[O-])cc1F ZINC000050637544 522230319 /nfs/dbraw/zinc/23/03/19/522230319.db2.gz UANRQSRVWPBHEY-ZCFIWIBFSA-N -1 3 291.304 1.393 10 5 CDBEHM C[C@H](C(=O)[O-])N1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000052118755 526182158 /nfs/dbraw/zinc/18/21/58/526182158.db2.gz BUDVNIUSYMHZDP-SECBINFHSA-N -1 3 297.286 1.329 10 5 CDBEHM Nc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CCCC2)c1 ZINC000050637770 527502121 /nfs/dbraw/zinc/50/21/21/527502121.db2.gz KRRXYVRUFRSIPD-UHFFFAOYSA-N -1 3 285.325 1.398 10 5 CDBEHM O=C(Nc1cc(Cl)[nH]n1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770655650 575481771 /nfs/dbraw/zinc/48/17/71/575481771.db2.gz GOYURXMSUZVNAS-UHFFFAOYSA-N -1 3 283.631 1.324 10 5 CDBEHM CC[C@H](CN1CCOCC1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001612939515 1165525915 /nfs/dbraw/zinc/52/59/15/1165525915.db2.gz IBQZKPISDYJBSS-SNVBAGLBSA-N -1 3 296.327 1.218 10 5 CDBEHM O=c1cc([C@@H]2CCN(c3ncc([N+](=O)[O-])cc3F)C2)[n-][nH]1 ZINC001642884486 1167210260 /nfs/dbraw/zinc/21/02/60/1167210260.db2.gz CMFGMGFFODVJDS-SSDOTTSWSA-N -1 3 293.258 1.552 10 5 CDBEHM Cc1ccc(CNC(=O)c2cc(=O)[n-]cn2)cc1[N+](=O)[O-] ZINC001642929920 1167212387 /nfs/dbraw/zinc/21/23/87/1167212387.db2.gz YKDWEEXAYQLUTP-UHFFFAOYSA-N -1 3 288.263 1.329 10 5 CDBEHM Cc1cc(C(=O)[N-]n2ccccc2=O)cc([N+](=O)[O-])c1 ZINC001650912807 1171267462 /nfs/dbraw/zinc/26/74/62/1171267462.db2.gz VQHKILSFJWDATM-UHFFFAOYSA-N -1 3 273.248 1.449 10 5 CDBEHM Cn1cnc([N+](=O)[O-])c1[N-]C(=O)c1ncc(Cl)cn1 ZINC001525898179 971005314 /nfs/dbraw/zinc/00/53/14/971005314.db2.gz CIEVKAZVSPFYJW-UHFFFAOYSA-N -1 3 282.647 1.024 10 5 CDBEHM C=C=CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001475444438 971083854 /nfs/dbraw/zinc/08/38/54/971083854.db2.gz NCIKEKNMJGKJGD-UHFFFAOYSA-N -1 3 288.712 1.868 10 5 CDBEHM O=c1[n-]ccc(NCCc2cn3ccccc3n2)c1[N+](=O)[O-] ZINC001472648785 970682767 /nfs/dbraw/zinc/68/27/67/970682767.db2.gz RPABEIIANLBIFU-UHFFFAOYSA-N -1 3 299.290 1.998 10 5 CDBEHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C)c([N+](=O)[O-])s1 ZINC000601304268 342550990 /nfs/dbraw/zinc/55/09/90/342550990.db2.gz OTRDBRAWVASDPT-SVRRBLITSA-N -1 3 290.366 1.899 10 5 CDBEHM C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593524346 342811951 /nfs/dbraw/zinc/81/19/51/342811951.db2.gz FLGQRWUNPAAOPM-MWLCHTKSSA-N -1 3 299.352 1.847 10 5 CDBEHM C[C@H](CCNc1cc[n-]c(=O)c1[N+](=O)[O-])[S@](C)=O ZINC000596163764 343256754 /nfs/dbraw/zinc/25/67/54/343256754.db2.gz BJJUKJCDQOMCAF-MDTSDYNXSA-N -1 3 273.314 1.264 10 5 CDBEHM CC1(C)C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CO1 ZINC000596311197 343300335 /nfs/dbraw/zinc/30/03/35/343300335.db2.gz MOTBLDIMFJJLQA-ZETCQYMHSA-N -1 3 253.258 1.675 10 5 CDBEHM COc1nnc([N-]C(=O)c2cc([N+](=O)[O-])cnc2C)s1 ZINC000616029967 349257747 /nfs/dbraw/zinc/25/77/47/349257747.db2.gz PMOJUMOTKKBCCK-UHFFFAOYSA-N -1 3 295.280 1.411 10 5 CDBEHM CCN1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000181985733 365059522 /nfs/dbraw/zinc/05/95/22/365059522.db2.gz IDLMUIYLGDGAGL-JTQLQIEISA-N -1 3 293.323 1.515 10 5 CDBEHM CCOC(=O)c1c[n-]c2c(C)cc([N+](=O)[O-])cc2c1=O ZINC000026463130 370593254 /nfs/dbraw/zinc/59/32/54/370593254.db2.gz YOCXWLPBLKYFIV-UHFFFAOYSA-N -1 3 276.248 1.921 10 5 CDBEHM CCc1[nH]nc(C(=O)[N-]c2csc(C)n2)c1[N+](=O)[O-] ZINC000344718060 375278826 /nfs/dbraw/zinc/27/88/26/375278826.db2.gz WJMOWOTWYAFJIO-UHFFFAOYSA-N -1 3 281.297 1.898 10 5 CDBEHM COc1ccc(F)c([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000357940604 375941178 /nfs/dbraw/zinc/94/11/78/375941178.db2.gz IWBQHIJVJOOAFX-UHFFFAOYSA-N -1 3 294.242 1.728 10 5 CDBEHM CC[C@@H]1CN(C)CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000517105988 390968396 /nfs/dbraw/zinc/96/83/96/390968396.db2.gz HZHXCYUUTKBMFE-GFCCVEGCSA-N -1 3 279.340 1.826 10 5 CDBEHM C[C@@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])N(C)C1CC1 ZINC000229980345 140204596 /nfs/dbraw/zinc/20/45/96/140204596.db2.gz NEHPRXZAMHYUKV-VIFPVBQESA-N -1 3 293.323 1.513 10 5 CDBEHM COc1ccc(Nc2[n-]cnc(=NN)c2[N+](=O)[O-])cc1 ZINC000040649468 174364840 /nfs/dbraw/zinc/36/48/40/174364840.db2.gz BUNVNYFZTJXYHW-UHFFFAOYSA-N -1 3 276.256 1.423 10 5 CDBEHM NN=c1nc[n-]c(Nc2cccc3ncccc32)c1[N+](=O)[O-] ZINC000040656756 174365462 /nfs/dbraw/zinc/36/54/62/174365462.db2.gz DTSCVFAMMREYHZ-UHFFFAOYSA-N -1 3 297.278 1.962 10 5 CDBEHM CCN(Cc1ccc([N+](=O)[O-])o1)[C@@H](C)CC(=O)[O-] ZINC000061183278 521330617 /nfs/dbraw/zinc/33/06/17/521330617.db2.gz FOYUBVSCYYTOMM-QMMMGPOBSA-N -1 3 256.258 1.873 10 5 CDBEHM CNc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ccon2)c1 ZINC000061684729 522643287 /nfs/dbraw/zinc/64/32/87/522643287.db2.gz KJTLTPSILFRSPP-UHFFFAOYSA-N -1 3 262.225 1.877 10 5 CDBEHM C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000052288836 525498545 /nfs/dbraw/zinc/49/85/45/525498545.db2.gz NOCBGLMIHZHVKP-HZGVNTEJSA-N -1 3 290.728 1.935 10 5 CDBEHM COC(=O)c1cnc(SCc2cccnc2[N+](=O)[O-])[n-]1 ZINC001613723329 1165534984 /nfs/dbraw/zinc/53/49/84/1165534984.db2.gz HQAZLTOMSZIDCQ-UHFFFAOYSA-N -1 3 294.292 1.792 10 5 CDBEHM Cc1cccc(C(=O)Nc2cc([N+](=O)[O-])n[nH]2)c1[O-] ZINC001634599466 1166518268 /nfs/dbraw/zinc/51/82/68/1166518268.db2.gz FDTJGZUQDZYWLP-UHFFFAOYSA-N -1 3 262.225 1.584 10 5 CDBEHM Cn1cc([N+](=O)[O-])c([N-]c2cnn(C[C@H]3CCCO3)c2)n1 ZINC001642095250 1167154562 /nfs/dbraw/zinc/15/45/62/1167154562.db2.gz DMPMOWWTMJMBDT-SNVBAGLBSA-N -1 3 292.299 1.447 10 5 CDBEHM CC(C)(F)C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000867576613 839873950 /nfs/dbraw/zinc/87/39/50/839873950.db2.gz ODSBTAQBFRGOQA-UHFFFAOYSA-N -1 3 282.318 1.683 10 5 CDBEHM COC(=O)C1=CC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000858691366 842726147 /nfs/dbraw/zinc/72/61/47/842726147.db2.gz GWLAPISRIQVXBS-MRVPVSSYSA-N -1 3 279.252 1.369 10 5 CDBEHM Cc1nc([N-]C(=O)c2cc([N+](=O)[O-])ccc2F)n[nH]1 ZINC000235969398 932814747 /nfs/dbraw/zinc/81/47/47/932814747.db2.gz BBEVFNHOXJOVCE-UHFFFAOYSA-N -1 3 265.204 1.413 10 5 CDBEHM Cc1[nH]nc(C(=O)[N-]c2nc(C(C)C)co2)c1[N+](=O)[O-] ZINC001298165125 955128799 /nfs/dbraw/zinc/12/87/99/955128799.db2.gz VIUYTBMJDNTAFT-UHFFFAOYSA-N -1 3 279.256 1.990 10 5 CDBEHM O=C([O-])[C@@H]1[C@@H]2CCN(Cc3cccnc3[N+](=O)[O-])C[C@@H]21 ZINC001350637772 966722634 /nfs/dbraw/zinc/72/26/34/966722634.db2.gz ZPAPWSBZLSMOJB-OUAUKWLOSA-N -1 3 277.280 1.142 10 5 CDBEHM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cccnn1 ZINC001532232762 969332240 /nfs/dbraw/zinc/33/22/40/969332240.db2.gz RMKNZFYXOFXDGO-UHFFFAOYSA-N -1 3 280.190 1.915 10 5 CDBEHM CCOCC[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601308928 342551511 /nfs/dbraw/zinc/55/15/11/342551511.db2.gz HGVSOZQCKOSDBL-UHFFFAOYSA-N -1 3 294.354 1.280 10 5 CDBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(C3CC3)CC2)nc1 ZINC000593563298 342812887 /nfs/dbraw/zinc/81/28/87/342812887.db2.gz TZIIEODSEYFJDB-UHFFFAOYSA-N -1 3 283.309 1.211 10 5 CDBEHM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])C1(NC2CC2)CCC1 ZINC000595950984 343194589 /nfs/dbraw/zinc/19/45/89/343194589.db2.gz IARUUSACCVFHGN-UHFFFAOYSA-N -1 3 291.307 1.914 10 5 CDBEHM CON1CCC(N(C)Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000453626899 252329855 /nfs/dbraw/zinc/32/98/55/252329855.db2.gz UKTXSKQLNVUBOP-UHFFFAOYSA-N -1 3 295.339 1.758 10 5 CDBEHM CC(C)([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(F)F ZINC000619681672 350834734 /nfs/dbraw/zinc/83/47/34/350834734.db2.gz YUFOTUHEQVUQHX-UHFFFAOYSA-N -1 3 294.279 1.917 10 5 CDBEHM CCCN(CCN(C)C)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000233019539 283231231 /nfs/dbraw/zinc/23/12/31/283231231.db2.gz STJSXNCTADXQAM-UHFFFAOYSA-N -1 3 295.339 1.714 10 5 CDBEHM O=[N+]([O-])c1ccccc1CNCc1ncccc1[O-] ZINC000347878933 359905884 /nfs/dbraw/zinc/90/58/84/359905884.db2.gz MGGXWBJOAJZPFG-UHFFFAOYSA-N -1 3 259.265 1.985 10 5 CDBEHM COC(=O)c1cc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2)no1 ZINC000439259583 249677243 /nfs/dbraw/zinc/67/72/43/249677243.db2.gz PUXFRZWWFYYWGM-UHFFFAOYSA-N -1 3 291.219 1.622 10 5 CDBEHM CNC(=O)[C@H](C)[N-]c1c([N+](=O)[O-])cc(C)cc1[N+](=O)[O-] ZINC000005159864 170072190 /nfs/dbraw/zinc/07/21/90/170072190.db2.gz QLQRAFRYTDEGKM-ZETCQYMHSA-N -1 3 282.256 1.358 10 5 CDBEHM NN=c1nc[n-]c(Nc2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-] ZINC000040648839 174364846 /nfs/dbraw/zinc/36/48/46/174364846.db2.gz SSDFFJJXAAQDLS-UHFFFAOYSA-N -1 3 291.227 1.322 10 5 CDBEHM COc1ccccc1Nc1[n-]cnc(=NN)c1[N+](=O)[O-] ZINC000040648374 174364850 /nfs/dbraw/zinc/36/48/50/174364850.db2.gz MABMZNDQBXCWCJ-UHFFFAOYSA-N -1 3 276.256 1.423 10 5 CDBEHM CC(C)NCc1ccc([N+](=O)[O-])c(O[C@H](C)C(=O)[O-])c1 ZINC000050517134 519727244 /nfs/dbraw/zinc/72/72/44/519727244.db2.gz KGUYRDGFYCSGBM-SECBINFHSA-N -1 3 282.296 1.945 10 5 CDBEHM Cc1ccc([O-])c(C(=O)Nc2cc([N+](=O)[O-])n[nH]2)c1 ZINC001645305083 1167386787 /nfs/dbraw/zinc/38/67/87/1167386787.db2.gz FVSWZWWROGHCDO-UHFFFAOYSA-N -1 3 262.225 1.584 10 5 CDBEHM O=c1[n-]ccc(N2CCC[C@H](c3nnc[nH]3)C2)c1[N+](=O)[O-] ZINC001655814955 1171727806 /nfs/dbraw/zinc/72/78/06/1171727806.db2.gz NQSDCFKGUXHNKT-QMMMGPOBSA-N -1 3 290.283 1.198 10 5 CDBEHM O=c1[n-]ccc(NCc2cnc3n2CCOC3)c1[N+](=O)[O-] ZINC001655935311 1171747425 /nfs/dbraw/zinc/74/74/25/1171747425.db2.gz WFTCRWAGQSPSPM-UHFFFAOYSA-N -1 3 291.267 1.034 10 5 CDBEHM O=[N+]([O-])c1cc(CO)c(SCCc2nnn[n-]2)cc1F ZINC001642830310 1167200393 /nfs/dbraw/zinc/20/03/93/1167200393.db2.gz RSLJYCPGSCUAFW-UHFFFAOYSA-N -1 3 299.287 1.074 10 5 CDBEHM O=[N+]([O-])c1cc(CO)c(SCCc2nn[n-]n2)cc1F ZINC001642830310 1167200399 /nfs/dbraw/zinc/20/03/99/1167200399.db2.gz RSLJYCPGSCUAFW-UHFFFAOYSA-N -1 3 299.287 1.074 10 5 CDBEHM C[C@H]1[C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])CCN1C ZINC000719336840 845535082 /nfs/dbraw/zinc/53/50/82/845535082.db2.gz HVCUHPOXYOUSFN-WCBMZHEXSA-N -1 3 279.296 1.123 10 5 CDBEHM O=c1[n-]ccc(NCc2nc3c([nH]2)CCCC3)c1[N+](=O)[O-] ZINC001164212290 939431374 /nfs/dbraw/zinc/43/13/74/939431374.db2.gz KFZMYXSHBUTYML-UHFFFAOYSA-N -1 3 289.295 1.909 10 5 CDBEHM Cn1cnc([N+](=O)[O-])c1[N-]C(=O)c1ccnc(F)c1F ZINC001525718137 970982641 /nfs/dbraw/zinc/98/26/41/970982641.db2.gz VAHOYLLVKRAROG-UHFFFAOYSA-N -1 3 283.194 1.254 10 5 CDBEHM CCC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593602092 342817916 /nfs/dbraw/zinc/81/79/16/342817916.db2.gz DCRNXSVFVKFIBF-UHFFFAOYSA-N -1 3 271.298 1.211 10 5 CDBEHM CN(C)[C@@H]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000160248580 360939817 /nfs/dbraw/zinc/93/98/17/360939817.db2.gz OFTQJKPOLGLBEZ-SNVBAGLBSA-N -1 3 279.296 1.077 10 5 CDBEHM C[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000330443734 374853104 /nfs/dbraw/zinc/85/31/04/374853104.db2.gz BPFHOXOGNBJCHJ-QWRGUYRKSA-N -1 3 279.340 1.825 10 5 CDBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)C ZINC000030493737 375604127 /nfs/dbraw/zinc/60/41/27/375604127.db2.gz SHOCDTMWPCWISQ-UHFFFAOYSA-N -1 3 288.325 1.538 10 5 CDBEHM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCN2CCC[C@H]2C1 ZINC000144180249 379613548 /nfs/dbraw/zinc/61/35/48/379613548.db2.gz BCAOCTGHVNEOOM-JTQLQIEISA-N -1 3 291.307 1.221 10 5 CDBEHM Nc1cccc([N+](=O)[O-])c1C(=O)NCc1ncccc1[O-] ZINC000352516127 155243405 /nfs/dbraw/zinc/24/34/05/155243405.db2.gz KDQHWYJOYQZKDW-UHFFFAOYSA-N -1 3 288.263 1.208 10 5 CDBEHM COCCCNc1[n-]cnc(=NNC(C)(C)C)c1[N+](=O)[O-] ZINC000040624184 174356214 /nfs/dbraw/zinc/35/62/14/174356214.db2.gz MPXYUSGTCSGFKF-UHFFFAOYSA-N -1 3 298.347 1.548 10 5 CDBEHM Cc1ccc([N-]c2ncnc(NN)c2[N+](=O)[O-])nc1 ZINC000040656778 174365519 /nfs/dbraw/zinc/36/55/19/174365519.db2.gz HKMSBJAJDOGCAC-UHFFFAOYSA-N -1 3 261.245 1.117 10 5 CDBEHM CC(C)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000070237714 519732912 /nfs/dbraw/zinc/73/29/12/519732912.db2.gz FXUHGWOGGYRZCV-UHFFFAOYSA-N -1 3 262.262 1.421 10 5 CDBEHM O=c1[n-]ccc(N2CCOc3ncccc3C2)c1[N+](=O)[O-] ZINC001639758315 1166968809 /nfs/dbraw/zinc/96/88/09/1166968809.db2.gz WILIJSZTHSDVCX-UHFFFAOYSA-N -1 3 288.263 1.489 10 5 CDBEHM Cc1cc(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])nn1C ZINC001651397144 1171319541 /nfs/dbraw/zinc/31/95/41/1171319541.db2.gz VVQUTRBAZYOXPM-UHFFFAOYSA-N -1 3 277.284 1.392 10 5 CDBEHM CN1C[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])[C@H]2C1 ZINC000590446678 342546658 /nfs/dbraw/zinc/54/66/58/342546658.db2.gz VOCMASMXEPTLCL-SKDRFNHKSA-N -1 3 291.307 1.077 10 5 CDBEHM CC1(C)CN[C@H]1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000592258174 342683401 /nfs/dbraw/zinc/68/34/01/342683401.db2.gz QEAPDUNKRYUJIS-JTQLQIEISA-N -1 3 265.269 1.237 10 5 CDBEHM CO[C@@]1(C(=O)[O-])CCN(Cc2cccc([N+](=O)[O-])c2C)C1 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343676307 /nfs/dbraw/zinc/67/63/07/343676307.db2.gz SSXAABMZSLIQRX-NSHDSACASA-N -1 3 293.323 1.467 10 5 CDBEHM Cc1cc([N-]c2c([N+](=O)[O-])ncn2C)nn1[C@@H](C)C1CC1 ZINC000612094646 347014204 /nfs/dbraw/zinc/01/42/04/347014204.db2.gz MYEJEDNIUQEFGU-VIFPVBQESA-N -1 3 290.327 1.970 10 5 CDBEHM Cc1ccc([N+](=O)[O-])cc1Nc1cc(=O)[n-]c(N)n1 ZINC000584625019 346502697 /nfs/dbraw/zinc/50/26/97/346502697.db2.gz KSGWXDKCKCXPPU-UHFFFAOYSA-N -1 3 261.241 1.555 10 5 CDBEHM Cc1cc(NC(=O)[C@@H](N)CCC(=O)[O-])c([N+](=O)[O-])cc1C ZINC000085843876 179185935 /nfs/dbraw/zinc/18/59/35/179185935.db2.gz HQSYRKUMKWWTBU-VIFPVBQESA-N -1 3 295.295 1.342 10 5 CDBEHM CC(=O)c1cnc([N-]C(=O)c2c[nH]nc2[N+](=O)[O-])s1 ZINC000578278925 356348051 /nfs/dbraw/zinc/34/80/51/356348051.db2.gz GYIZERQSDLKKSN-UHFFFAOYSA-N -1 3 281.253 1.229 10 5 CDBEHM Cc1nnc([N-]C(=O)c2cc([N+](=O)[O-])cnc2C)s1 ZINC000047835598 357033362 /nfs/dbraw/zinc/03/33/62/357033362.db2.gz SKRMKYZJIUYHDQ-UHFFFAOYSA-N -1 3 279.281 1.710 10 5 CDBEHM 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O=c1[n-]ccc(SCCSCCO)c1[N+](=O)[O-] ZINC000853545795 730074829 /nfs/dbraw/zinc/07/48/29/730074829.db2.gz APKKSULAXLTXEI-UHFFFAOYSA-N -1 3 276.339 1.513 10 5 CDBEHM CN1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C(C)(C)C1 ZINC001472027934 968244834 /nfs/dbraw/zinc/24/48/34/968244834.db2.gz YJUOADSORDINIQ-GFCCVEGCSA-N -1 3 293.323 1.370 10 5 CDBEHM O=c1[n-]ccc(N2CCC[C@]3(CCOC3)C2)c1[N+](=O)[O-] ZINC000596261590 343278110 /nfs/dbraw/zinc/27/81/10/343278110.db2.gz RFYDOUQMHXSXMG-ZDUSSCGKSA-N -1 3 279.296 1.702 10 5 CDBEHM O=c1[n-]ccc(NCCO[C@H]2CC2(F)F)c1[N+](=O)[O-] ZINC000596448551 343324057 /nfs/dbraw/zinc/32/40/57/343324057.db2.gz UGAVYZMWBFCXER-ZETCQYMHSA-N -1 3 275.211 1.532 10 5 CDBEHM CC[C@H](C)[C@H](N)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000515350874 362302240 /nfs/dbraw/zinc/30/22/40/362302240.db2.gz IHRDMZXVNICQHK-CPCISQLKSA-N -1 3 267.285 1.612 10 5 CDBEHM O=C1[N-]c2ccc([N+](=O)[O-])c(Br)c2C1=O ZINC000035359208 172149509 /nfs/dbraw/zinc/14/95/09/172149509.db2.gz LOWFVSRATPVDOD-UHFFFAOYSA-N -1 3 271.026 1.492 10 5 CDBEHM NN=c1nc[n-]c(NCCC2=CCCCC2)c1[N+](=O)[O-] ZINC000040622139 174354892 /nfs/dbraw/zinc/35/48/92/174354892.db2.gz NZWPGSFRAONDFZ-UHFFFAOYSA-N -1 3 278.316 1.973 10 5 CDBEHM Cn1cnc([N+](=O)[O-])c1-c1noc(-c2cccc([O-])c2)n1 ZINC000350912300 316219897 /nfs/dbraw/zinc/21/98/97/316219897.db2.gz WYEIUNTZHMNDCE-UHFFFAOYSA-N -1 3 287.235 1.751 10 5 CDBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nccs2)n1 ZINC000191448085 529155394 /nfs/dbraw/zinc/15/53/94/529155394.db2.gz PTAUBQNZNHRKAR-UHFFFAOYSA-N -1 3 267.270 1.520 10 5 CDBEHM O=c1[n-]ccc(NCc2cc3n(n2)CCCC3)c1[N+](=O)[O-] ZINC001642877564 1167207608 /nfs/dbraw/zinc/20/76/08/1167207608.db2.gz IODIYDHTRWASJS-UHFFFAOYSA-N -1 3 289.295 1.840 10 5 CDBEHM C[C@H](O)C(C)(C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001651490029 1171328048 /nfs/dbraw/zinc/32/80/48/1171328048.db2.gz DNULFETXUYSWCJ-ZETCQYMHSA-N -1 3 255.274 1.514 10 5 CDBEHM O=c1[n-]ccc(N[C@H]2COC3(CCC3)C2)c1[N+](=O)[O-] ZINC000688285036 934581922 /nfs/dbraw/zinc/58/19/22/934581922.db2.gz GDSZTXAAMKRTJO-MRVPVSSYSA-N -1 3 265.269 1.819 10 5 CDBEHM C[C@@H]1[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])CCN1C ZINC000719336838 934849458 /nfs/dbraw/zinc/84/94/58/934849458.db2.gz HVCUHPOXYOUSFN-SCZZXKLOSA-N -1 3 279.296 1.123 10 5 CDBEHM CCn1c(C)nc([N+](=O)[O-])c1NCCCc1c[n-][nH]c1=O ZINC001163823568 939337670 /nfs/dbraw/zinc/33/76/70/939337670.db2.gz MAKOVGBOKVIUEU-SECBINFHSA-N -1 3 294.315 1.044 10 5 CDBEHM COc1cc(CN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])sn1 ZINC001164226987 939434980 /nfs/dbraw/zinc/43/49/80/939434980.db2.gz YHHSGGNTSFMVEG-UHFFFAOYSA-N -1 3 296.308 1.797 10 5 CDBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C=CCCC2)nc1 ZINC001326508105 954413570 /nfs/dbraw/zinc/41/35/70/954413570.db2.gz MNCUKGWUUBJMCI-VIFPVBQESA-N -1 3 283.309 1.377 10 5 CDBEHM Cc1nn(C)c(C(=O)[N-]c2ncn(C(C)C)n2)c1[N+](=O)[O-] ZINC001327269187 954802099 /nfs/dbraw/zinc/80/20/99/954802099.db2.gz FIBHBGLAVGUOSJ-UHFFFAOYSA-N -1 3 293.287 1.061 10 5 CDBEHM C[C@@](CO)([N-]C(=O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC001329589225 956005123 /nfs/dbraw/zinc/00/51/23/956005123.db2.gz SFFPAVPDZIHZNY-NSHDSACASA-N -1 3 274.223 1.184 10 5 CDBEHM CN1C[C@@H]2CCN(Cc3cc([O-])ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590053114 342521317 /nfs/dbraw/zinc/52/13/17/342521317.db2.gz YGISFJFDMBHFLO-IINYFYTJSA-N -1 3 277.324 1.436 10 5 CDBEHM C[C@H]1CC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593593019 342815058 /nfs/dbraw/zinc/81/50/58/342815058.db2.gz ZZVZVRVDJNWOJK-UWVGGRQHSA-N -1 3 299.352 1.704 10 5 CDBEHM Cc1cnn(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC000596119511 343232561 /nfs/dbraw/zinc/23/25/61/343232561.db2.gz FHUGLKSGCMKZDW-UHFFFAOYSA-N -1 3 263.257 1.312 10 5 CDBEHM O=c1[n-]ccc(NCC2(CCO)CC2)c1[N+](=O)[O-] ZINC000596207122 343266447 /nfs/dbraw/zinc/26/64/47/343266447.db2.gz BLSRDSQAPKRKME-UHFFFAOYSA-N -1 3 253.258 1.270 10 5 CDBEHM COc1ccc([N+](=O)[O-])cc1CNCCC(=O)[O-] ZINC000035386826 172168755 /nfs/dbraw/zinc/16/87/55/172168755.db2.gz IHCUMMXGXVDDNY-UHFFFAOYSA-N -1 3 254.242 1.168 10 5 CDBEHM CCOc1ncnc([N-]c2cccnc2)c1[N+](=O)[O-] ZINC000040628451 174356972 /nfs/dbraw/zinc/35/69/72/174356972.db2.gz GESMAZRACRHILM-UHFFFAOYSA-N -1 3 261.241 1.922 10 5 CDBEHM CC1(C)C[C@H]1[N-]S(=O)(=O)c1cc(N)ccc1[N+](=O)[O-] ZINC000050671385 520570841 /nfs/dbraw/zinc/57/08/41/520570841.db2.gz CKGUJTIZBXGKJN-SNVBAGLBSA-N -1 3 285.325 1.254 10 5 CDBEHM CCNc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2C[C@H]2C)c1 ZINC000052302362 520327291 /nfs/dbraw/zinc/32/72/91/520327291.db2.gz LDUVBEBJCLQMLX-PSASIEDQSA-N -1 3 299.352 1.713 10 5 CDBEHM Nc1n[n-]c(-c2nc(-c3ccccc3[N+](=O)[O-])no2)n1 ZINC000055169969 527541205 /nfs/dbraw/zinc/54/12/05/527541205.db2.gz NZNVUNPWNPXXDO-UHFFFAOYSA-N -1 3 273.212 1.012 10 5 CDBEHM Nc1nnc(-c2nc(-c3ccccc3[N+](=O)[O-])no2)[n-]1 ZINC000055169969 527541209 /nfs/dbraw/zinc/54/12/09/527541209.db2.gz NZNVUNPWNPXXDO-UHFFFAOYSA-N -1 3 273.212 1.012 10 5 CDBEHM Nc1nc(-c2nc(-c3ccccc3[N+](=O)[O-])no2)n[n-]1 ZINC000055169969 527541214 /nfs/dbraw/zinc/54/12/14/527541214.db2.gz NZNVUNPWNPXXDO-UHFFFAOYSA-N -1 3 273.212 1.012 10 5 CDBEHM CO[C@H]1C[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000714631841 735642961 /nfs/dbraw/zinc/64/29/61/735642961.db2.gz VBTNRMMPGAPSMO-ZKCHVHJHSA-N -1 3 253.258 1.532 10 5 CDBEHM CCCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000845792747 735224601 /nfs/dbraw/zinc/22/46/01/735224601.db2.gz INHZZJICRQPWCQ-UHFFFAOYSA-N -1 3 287.341 1.848 10 5 CDBEHM CC(C)(O)CO[N-]C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001634665022 1166526697 /nfs/dbraw/zinc/52/66/97/1166526697.db2.gz KWPOEFKAHNWONQ-UHFFFAOYSA-N -1 3 272.232 1.166 10 5 CDBEHM CSc1cccc(C(=O)[N-]c2nnn(C)n2)c1[N+](=O)[O-] ZINC001525551787 970970384 /nfs/dbraw/zinc/97/03/84/970970384.db2.gz CUICEKAAAVXYOB-UHFFFAOYSA-N -1 3 294.296 1.093 10 5 CDBEHM Cc1cccc(C(=O)[N-]C(=O)c2ccnc([N+](=O)[O-])c2)c1 ZINC000199596487 398197312 /nfs/dbraw/zinc/19/73/12/398197312.db2.gz BNNGLBUXMSEFPY-UHFFFAOYSA-N -1 3 285.259 1.868 10 5 CDBEHM C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593531029 342812410 /nfs/dbraw/zinc/81/24/10/342812410.db2.gz LSRRTIYUSXDWCI-VHSXEESVSA-N -1 3 299.352 1.847 10 5 CDBEHM O=c1[n-]cnc2c1CCN(c1ccncc1[N+](=O)[O-])C2 ZINC000588827865 342222532 /nfs/dbraw/zinc/22/25/32/342222532.db2.gz YGVOUGDNHCYGBE-UHFFFAOYSA-N -1 3 273.252 1.048 10 5 CDBEHM Cc1cn2c(n1)CN(c1cc[n-]c(=O)c1[N+](=O)[O-])CC2 ZINC000596190593 343252929 /nfs/dbraw/zinc/25/29/29/343252929.db2.gz WADRICHRZRNALM-UHFFFAOYSA-N -1 3 275.268 1.221 10 5 CDBEHM CCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000597943880 343674697 /nfs/dbraw/zinc/67/46/97/343674697.db2.gz AEUGVFGDGZQRCJ-LLVKDONJSA-N -1 3 293.323 1.467 10 5 CDBEHM CCOC(=O)[C@@H](C)[C@@H](C)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000339086232 359288462 /nfs/dbraw/zinc/28/84/62/359288462.db2.gz YBLRQVCGBCMIST-VHSXEESVSA-N -1 3 296.323 1.978 10 5 CDBEHM CN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000595279495 392554632 /nfs/dbraw/zinc/55/46/32/392554632.db2.gz RPMYKUMJAOYXMU-KLPPZKSPSA-N -1 3 264.281 1.890 10 5 CDBEHM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-]Cc2ccno2)c1 ZINC000349448438 154117553 /nfs/dbraw/zinc/11/75/53/154117553.db2.gz FVTAYDCZHJIVFU-UHFFFAOYSA-N -1 3 297.292 1.202 10 5 CDBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2scnc2C)n1 ZINC000355970557 157303211 /nfs/dbraw/zinc/30/32/11/157303211.db2.gz HEXPFQATFHLTJF-UHFFFAOYSA-N -1 3 281.297 1.828 10 5 CDBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCCCC2)cn1 ZINC000078739231 177379844 /nfs/dbraw/zinc/37/98/44/177379844.db2.gz UXUFBXRVUYLTNS-UHFFFAOYSA-N -1 3 285.325 1.601 10 5 CDBEHM CCC[N-]S(=O)(=O)c1c(N)cc([N+](=O)[O-])cc1F ZINC000050636347 519976628 /nfs/dbraw/zinc/97/66/28/519976628.db2.gz OUTYNVAGYIYFJY-UHFFFAOYSA-N -1 3 277.277 1.004 10 5 CDBEHM CNc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nncs2)c1 ZINC000050711886 522642953 /nfs/dbraw/zinc/64/29/53/522642953.db2.gz HZKDUBFSQBCYQB-UHFFFAOYSA-N -1 3 279.281 1.740 10 5 CDBEHM CN(CCN1CCCC1)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000234291246 536370886 /nfs/dbraw/zinc/37/08/86/536370886.db2.gz GCWCFWMTXCRQFZ-UHFFFAOYSA-N -1 3 293.323 1.468 10 5 CDBEHM Cn1cnc([N-]C(=O)c2cccc([N+](=O)[O-])c2Cl)n1 ZINC001637892372 1166797590 /nfs/dbraw/zinc/79/75/90/1166797590.db2.gz JPZFZRYHYFWZDX-UHFFFAOYSA-N -1 3 281.659 1.629 10 5 CDBEHM Cc1noc(C)c1N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001634400425 1166498290 /nfs/dbraw/zinc/49/82/90/1166498290.db2.gz ZCQPQXQPTPAHMK-UHFFFAOYSA-N -1 3 292.251 1.577 10 5 CDBEHM CCc1nocc1C(=O)[N-]c1c([N+](=O)[O-])ncn1C ZINC001436240189 962152351 /nfs/dbraw/zinc/15/23/51/962152351.db2.gz FFUIXYHPXTZNAI-UHFFFAOYSA-N -1 3 265.229 1.131 10 5 CDBEHM COCc1ncc(C(=O)[N-]c2c([N+](=O)[O-])ncn2C)s1 ZINC001436239967 962152634 /nfs/dbraw/zinc/15/26/34/962152634.db2.gz BVJTZWFTERIXMC-UHFFFAOYSA-N -1 3 297.296 1.184 10 5 CDBEHM C[C@@H](NC(=O)c1cn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC001654806386 1171639911 /nfs/dbraw/zinc/63/99/11/1171639911.db2.gz ITPIVGVCNIDNJQ-SSDOTTSWSA-N -1 3 261.241 1.204 10 5 CDBEHM CN1C[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])[C@H]2C1 ZINC000590445466 342546578 /nfs/dbraw/zinc/54/65/78/342546578.db2.gz MYRZWYBZDDHIGW-SKDRFNHKSA-N -1 3 291.307 1.077 10 5 CDBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C(C2CC2)C2CC2)nc1 ZINC000593527372 342811972 /nfs/dbraw/zinc/81/19/72/342811972.db2.gz RIZQWEPXOLGFJW-UHFFFAOYSA-N -1 3 297.336 1.457 10 5 CDBEHM O=c1[n-]ccc(NC[C@H]2CCC[C@@H]2O)c1[N+](=O)[O-] ZINC000596138033 343240849 /nfs/dbraw/zinc/24/08/49/343240849.db2.gz DOKPQFIHGVXTJU-APPZFPTMSA-N -1 3 253.258 1.268 10 5 CDBEHM COC[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596260664 343277743 /nfs/dbraw/zinc/27/77/43/343277743.db2.gz NRYXBONKRRDVHS-JTQLQIEISA-N -1 3 281.312 1.948 10 5 CDBEHM CCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@@H]1CCN(C)C1 ZINC000597946315 343675920 /nfs/dbraw/zinc/67/59/20/343675920.db2.gz OCYPCVHEXATLIJ-LLVKDONJSA-N -1 3 293.323 1.467 10 5 CDBEHM C/C=C\C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000599482023 344070689 /nfs/dbraw/zinc/07/06/89/344070689.db2.gz QRZNZZHDAMFSSN-ARJAWSKDSA-N -1 3 286.309 1.458 10 5 CDBEHM Cc1cc(C)c([N+](=O)[O-])c(N(C)C[C@H](C)c2nnn[n-]2)n1 ZINC000360966953 357761341 /nfs/dbraw/zinc/76/13/41/357761341.db2.gz WEFNPDQQWOTUCH-QMMMGPOBSA-N -1 3 291.315 1.360 10 5 CDBEHM Cc1cc(C)c([N+](=O)[O-])c(N(C)C[C@H](C)c2nn[n-]n2)n1 ZINC000360966953 357761346 /nfs/dbraw/zinc/76/13/46/357761346.db2.gz WEFNPDQQWOTUCH-QMMMGPOBSA-N -1 3 291.315 1.360 10 5 CDBEHM O=[N+]([O-])c1cccc(CNCc2ncccc2[O-])c1 ZINC000347882818 359647807 /nfs/dbraw/zinc/64/78/07/359647807.db2.gz PNPHSQVIZWRGJS-UHFFFAOYSA-N -1 3 259.265 1.985 10 5 CDBEHM N[C@@H](CC(F)F)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000575121461 360839899 /nfs/dbraw/zinc/83/98/99/360839899.db2.gz RGWODDPHAVIKPN-LURJTMIESA-N -1 3 275.211 1.221 10 5 CDBEHM Cc1sc(C(=O)[N-]c2nncn2C)cc1[N+](=O)[O-] ZINC000162993758 375578341 /nfs/dbraw/zinc/57/83/41/375578341.db2.gz QJZHVKTVUFWSGV-UHFFFAOYSA-N -1 3 267.270 1.346 10 5 CDBEHM O=[N+]([O-])c1ccc([O-])cc1CN[C@H]1CCC[C@H]1CCO ZINC000339125366 285137531 /nfs/dbraw/zinc/13/75/31/285137531.db2.gz VAQDHNKCQUFZPV-GWCFXTLKSA-N -1 3 280.324 1.941 10 5 CDBEHM C[C@H]1C[C@H]1[N-]S(=O)(=O)c1c(N)cc([N+](=O)[O-])cc1F ZINC000052302773 524964547 /nfs/dbraw/zinc/96/45/47/524964547.db2.gz MZTUVGMPLNFPBU-SSDLBLMSSA-N -1 3 289.288 1.003 10 5 CDBEHM O=C([O-])[C@H](NCc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000054523598 526313314 /nfs/dbraw/zinc/31/33/14/526313314.db2.gz MJINJXZRIYMBRE-LLVKDONJSA-N -1 3 268.244 1.687 10 5 CDBEHM Nc1cc([N+](=O)[O-])cc(F)c1S(=O)(=O)[N-]C1CCC1 ZINC000052215213 527460540 /nfs/dbraw/zinc/46/05/40/527460540.db2.gz MNUYRSNEPXLPLT-UHFFFAOYSA-N -1 3 289.288 1.147 10 5 CDBEHM Cc1ccc(O)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001648796974 1158544710 /nfs/dbraw/zinc/54/47/10/1158544710.db2.gz XQNIUSQUKZKKOB-UHFFFAOYSA-N -1 3 289.247 1.962 10 5 CDBEHM O=C(c1ccc([N+](=O)[O-])o1)N1CCCc2c(=O)[n-]cnc21 ZINC001132573434 1163382413 /nfs/dbraw/zinc/38/24/13/1163382413.db2.gz SWIFMHWZMMJYKP-UHFFFAOYSA-N -1 3 290.235 1.276 10 5 CDBEHM CC(C)c1coc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])n1 ZINC001637056400 1166721061 /nfs/dbraw/zinc/72/10/61/1166721061.db2.gz QBHAUZGCUSMSQY-UHFFFAOYSA-N -1 3 265.229 1.682 10 5 CDBEHM CC(C)(CO)O[N-]C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001640959181 1167065381 /nfs/dbraw/zinc/06/53/81/1167065381.db2.gz ZXXYQIIXGXQRDQ-UHFFFAOYSA-N -1 3 272.232 1.166 10 5 CDBEHM Nc1ncccc1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001163327087 939248463 /nfs/dbraw/zinc/24/84/63/939248463.db2.gz OGRNGZVFHMORSV-UHFFFAOYSA-N -1 3 261.241 1.285 10 5 CDBEHM O=c1[n-]ccc(N2CCC[C@@H]2c2ncon2)c1[N+](=O)[O-] ZINC001347181479 965409145 /nfs/dbraw/zinc/40/91/45/965409145.db2.gz IIJGCCJPVAHIKH-MRVPVSSYSA-N -1 3 277.240 1.420 10 5 CDBEHM CC(C)(F)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000601476738 342566138 /nfs/dbraw/zinc/56/61/38/342566138.db2.gz ZPEBZWHYDSFFMZ-UHFFFAOYSA-N -1 3 276.289 1.621 10 5 CDBEHM CC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCC1 ZINC000593557370 342811654 /nfs/dbraw/zinc/81/16/54/342811654.db2.gz CVDVVIPCHGYYJF-UHFFFAOYSA-N -1 3 285.325 1.458 10 5 CDBEHM C[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593590665 342814986 /nfs/dbraw/zinc/81/49/86/342814986.db2.gz KWXFGBNHWGXKFQ-VHSXEESVSA-N -1 3 299.352 1.704 10 5 CDBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(C3CC3)cs2)n1 ZINC000271371148 191101240 /nfs/dbraw/zinc/10/12/40/191101240.db2.gz HYVSUSDBVYFZAF-UHFFFAOYSA-N -1 3 293.308 1.915 10 5 CDBEHM CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000188518084 357906940 /nfs/dbraw/zinc/90/69/40/357906940.db2.gz KIXOQMPVOFCSRB-IUCAKERBSA-N -1 3 288.325 1.297 10 5 CDBEHM COCCNCc1ccc([N+](=O)[O-])c(O[C@@H](C)C(=O)[O-])c1 ZINC000062733401 523954733 /nfs/dbraw/zinc/95/47/33/523954733.db2.gz JZNZKOQZWCCCIR-VIFPVBQESA-N -1 3 298.295 1.183 10 5 CDBEHM NC(=O)c1cc([N+](=O)[O-])cnc1Oc1cccc([O-])c1 ZINC000050442703 527035166 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CDBEHM Cc1conc1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000708309088 897360799 /nfs/dbraw/zinc/36/07/99/897360799.db2.gz WECOGVRAWAXTQV-UHFFFAOYSA-N -1 3 250.214 1.604 10 5 CDBEHM Cc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc(C)n1 ZINC001343834803 964154451 /nfs/dbraw/zinc/15/44/51/964154451.db2.gz IDTLEYIPFXTUOV-UHFFFAOYSA-N -1 3 288.263 1.381 10 5 CDBEHM Cc1cc(SCCc2nnn[n-]2)ncc1[N+](=O)[O-] ZINC001655590610 1171707990 /nfs/dbraw/zinc/70/79/90/1171707990.db2.gz CMXXXUSIBXKDLB-UHFFFAOYSA-N -1 3 266.286 1.146 10 5 CDBEHM Cc1cc(SCCc2nn[n-]n2)ncc1[N+](=O)[O-] ZINC001655590610 1171707997 /nfs/dbraw/zinc/70/79/97/1171707997.db2.gz CMXXXUSIBXKDLB-UHFFFAOYSA-N -1 3 266.286 1.146 10 5 CDBEHM O=c1[n-]ccc(N2CCO[C@H](C(F)F)CC2)c1[N+](=O)[O-] ZINC000601230676 342536319 /nfs/dbraw/zinc/53/63/19/342536319.db2.gz DEVXDANQHNLFDZ-QMMMGPOBSA-N -1 3 289.238 1.556 10 5 CDBEHM O=c1[n-]ccc(N2CCC[C@@H]([C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000596170925 343258878 /nfs/dbraw/zinc/25/88/78/343258878.db2.gz AVSXVZNXSSBVMQ-MNOVXSKESA-N -1 3 293.323 1.948 10 5 CDBEHM O=c1[n-]ccc(N2CCC[C@](O)(C3CC3)C2)c1[N+](=O)[O-] ZINC000596462242 343317825 /nfs/dbraw/zinc/31/78/25/343317825.db2.gz JKWAXSHVJUJJLE-CYBMUJFWSA-N -1 3 279.296 1.437 10 5 CDBEHM Cc1ccc(NC(=O)[C@H](N)CCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000085819565 179182631 /nfs/dbraw/zinc/18/26/31/179182631.db2.gz SHSJTNRMAJGNFN-MRVPVSSYSA-N -1 3 281.268 1.034 10 5 CDBEHM CS(=O)(=O)c1c2cc([N+](=O)[O-])ccc2oc1C(=O)[O-] ZINC000584881716 356716672 /nfs/dbraw/zinc/71/66/72/356716672.db2.gz NQDQBNRLVAIFEV-UHFFFAOYSA-N -1 3 285.233 1.443 10 5 CDBEHM COc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2C)[n-]1 ZINC000158187628 237123720 /nfs/dbraw/zinc/12/37/20/237123720.db2.gz AKDKTTPLCHMDDT-UHFFFAOYSA-N -1 3 277.240 1.282 10 5 CDBEHM COc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2C)n[n-]1 ZINC000158187628 237123726 /nfs/dbraw/zinc/12/37/26/237123726.db2.gz AKDKTTPLCHMDDT-UHFFFAOYSA-N -1 3 277.240 1.282 10 5 CDBEHM COc1n[n-]c(NC(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000158187628 237123731 /nfs/dbraw/zinc/12/37/31/237123731.db2.gz AKDKTTPLCHMDDT-UHFFFAOYSA-N -1 3 277.240 1.282 10 5 CDBEHM CCOc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2C)[n-]1 ZINC000228790025 1159931704 /nfs/dbraw/zinc/93/17/04/1159931704.db2.gz FSXFBKBLQVPZKB-UHFFFAOYSA-N -1 3 291.267 1.672 10 5 CDBEHM CCOc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2C)n[n-]1 ZINC000228790025 1159931706 /nfs/dbraw/zinc/93/17/06/1159931706.db2.gz FSXFBKBLQVPZKB-UHFFFAOYSA-N -1 3 291.267 1.672 10 5 CDBEHM CCOc1n[n-]c(NC(=O)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000228790025 1159931709 /nfs/dbraw/zinc/93/17/09/1159931709.db2.gz FSXFBKBLQVPZKB-UHFFFAOYSA-N -1 3 291.267 1.672 10 5 CDBEHM COC1(OC)CC(CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001559305086 960740756 /nfs/dbraw/zinc/74/07/56/960740756.db2.gz UQHKCRVNANXKMT-UHFFFAOYSA-N -1 3 283.284 1.506 10 5 CDBEHM CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc([O-])cc2)n1 ZINC000436816274 361744419 /nfs/dbraw/zinc/74/44/19/361744419.db2.gz DATABOJVBKSBFY-UHFFFAOYSA-N -1 3 276.252 1.769 10 5 CDBEHM 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NN=c1nc[n-]c(NC2CCCCC2)c1[N+](=O)[O-] ZINC000040598197 174349945 /nfs/dbraw/zinc/34/99/45/174349945.db2.gz LYPLVVVZMWTQHQ-UHFFFAOYSA-N -1 3 252.278 1.415 10 5 CDBEHM Cc1ccccc1Nc1[n-]cnc(=NN)c1[N+](=O)[O-] ZINC000040648017 174365061 /nfs/dbraw/zinc/36/50/61/174365061.db2.gz GNFANMICPWJAIV-UHFFFAOYSA-N -1 3 260.257 1.722 10 5 CDBEHM O=C([O-])c1ccc(N[C@@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000044679308 175228258 /nfs/dbraw/zinc/22/82/58/175228258.db2.gz LWYFJBFFNXMQSM-SNVBAGLBSA-N -1 3 291.307 1.942 10 5 CDBEHM CN(C)C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000234239458 289191976 /nfs/dbraw/zinc/19/19/76/289191976.db2.gz HZDWJXLNVZAFEK-NSHDSACASA-N -1 3 293.323 1.467 10 5 CDBEHM O=C1[N-]c2c(cc([N+](=O)[O-])cc2C(F)(F)F)C1=O ZINC000757190408 577034761 /nfs/dbraw/zinc/03/47/61/577034761.db2.gz PBJGVPGMIISFKJ-UHFFFAOYSA-N -1 3 260.127 1.748 10 5 CDBEHM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC[C@@H](N2CCC2)C1 ZINC000912912968 630280970 /nfs/dbraw/zinc/28/09/70/630280970.db2.gz 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341992421 /nfs/dbraw/zinc/99/24/21/341992421.db2.gz KHWSWOIRZIBZSA-SECBINFHSA-N -1 3 279.296 1.124 10 5 CDBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC(C)(C)F ZINC000601476479 342565997 /nfs/dbraw/zinc/56/59/97/342565997.db2.gz QXVGQLVBZIGFQJ-UHFFFAOYSA-N -1 3 290.316 1.930 10 5 CDBEHM CC1(C)C[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593544112 342810499 /nfs/dbraw/zinc/81/04/99/342810499.db2.gz FINQHJHGWULKOX-MRVPVSSYSA-N -1 3 285.325 1.314 10 5 CDBEHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C1CCCC1 ZINC000593543859 342810695 /nfs/dbraw/zinc/81/06/95/342810695.db2.gz HKTCDDZMZKALRG-SECBINFHSA-N -1 3 299.352 1.847 10 5 CDBEHM CCC(CC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593524563 342811988 /nfs/dbraw/zinc/81/19/88/342811988.db2.gz NVJGERIXLAVASJ-UHFFFAOYSA-N -1 3 273.314 1.457 10 5 CDBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H]3C[C@H]3C2)nc1 ZINC000593612106 342818736 /nfs/dbraw/zinc/81/87/36/342818736.db2.gz BSCHXLIBZNPNOP-LPEHRKFASA-N -1 3 297.336 1.457 10 5 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299.352 1.715 10 5 CDBEHM Cc1cc([N+](=O)[O-])ccc1CN[C@]1(C(=O)[O-])CCOC1 ZINC000340675109 525566858 /nfs/dbraw/zinc/56/68/58/525566858.db2.gz GCBHIZIUBNIAHU-CYBMUJFWSA-N -1 3 280.280 1.237 10 5 CDBEHM O=[N+]([O-])c1cc([O-])ccc1N[C@H]1CCCS(=O)(=O)C1 ZINC000069136831 527338539 /nfs/dbraw/zinc/33/85/39/527338539.db2.gz ZZLAWQVSLXXXAB-QMMMGPOBSA-N -1 3 286.309 1.290 10 5 CDBEHM O=[N+]([O-])c1cc(CN[C@H]2COC[C@@H]2C2CC2)ccc1[O-] ZINC000725269276 538460474 /nfs/dbraw/zinc/46/04/74/538460474.db2.gz JEVDKURMTOTNHP-NEPJUHHUSA-N -1 3 278.308 1.815 10 5 CDBEHM Cc1c(CNC(=O)c2cc(=O)[n-]cn2)cccc1[N+](=O)[O-] ZINC001616298700 1165566149 /nfs/dbraw/zinc/56/61/49/1165566149.db2.gz INOUJNJFIXQVSW-UHFFFAOYSA-N -1 3 288.263 1.329 10 5 CDBEHM COCc1cnc([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])s1 ZINC001323193876 960522358 /nfs/dbraw/zinc/52/23/58/960522358.db2.gz RISSTSOCOXSIIT-UHFFFAOYSA-N -1 3 297.296 1.184 10 5 CDBEHM O=[N+]([O-])c1ccc(CN2CC[C@H](c3nnn[n-]3)C2)c(F)c1 ZINC001560101108 960861126 /nfs/dbraw/zinc/86/11/26/960861126.db2.gz BXXCQAXIHHIVMR-VIFPVBQESA-N -1 3 292.274 1.237 10 5 CDBEHM O=[N+]([O-])c1ccc(CN2CC[C@H](c3nn[n-]n3)C2)c(F)c1 ZINC001560101108 960861144 /nfs/dbraw/zinc/86/11/44/960861144.db2.gz BXXCQAXIHHIVMR-VIFPVBQESA-N -1 3 292.274 1.237 10 5 CDBEHM COc1cncnc1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC001596088335 1174228171 /nfs/dbraw/zinc/22/81/71/1174228171.db2.gz SAFSIKLGEKQJCP-UHFFFAOYSA-N -1 3 280.265 1.707 10 5 CDBEHM CC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCCC1 ZINC000593542454 342810624 /nfs/dbraw/zinc/81/06/24/342810624.db2.gz UDHOYDINRPSRTD-UHFFFAOYSA-N -1 3 299.352 1.848 10 5 CDBEHM CC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCC1 ZINC000593565928 342812825 /nfs/dbraw/zinc/81/28/25/342812825.db2.gz DKJJUAYUAMSGHA-UHFFFAOYSA-N -1 3 271.298 1.211 10 5 CDBEHM CC[C@@H](C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000594819541 342957247 /nfs/dbraw/zinc/95/72/47/342957247.db2.gz XHPBUIDDPUMIDH-SECBINFHSA-N -1 3 287.341 1.704 10 5 CDBEHM CCO[C@@]1(C)C[C@H]1NCc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000598996858 343936511 /nfs/dbraw/zinc/93/65/11/343936511.db2.gz PMNQTIYBRRNKPP-KGLIPLIRSA-N -1 3 296.323 1.966 10 5 CDBEHM C/C=C\C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000599475099 344062573 /nfs/dbraw/zinc/06/25/73/344062573.db2.gz GSWXXQBVKZHYDK-ARJAWSKDSA-N -1 3 286.309 1.458 10 5 CDBEHM O=C(NCCN1CCCC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000236560854 363245543 /nfs/dbraw/zinc/24/55/43/363245543.db2.gz LROGEMUMQMIZJE-UHFFFAOYSA-N -1 3 279.296 1.126 10 5 CDBEHM O=[N+]([O-])c1ccc([O-])cc1CN1CCN2CCCC[C@H]2C1 ZINC000408070961 357806785 /nfs/dbraw/zinc/80/67/85/357806785.db2.gz ILNCRNRRDOMWTJ-ZDUSSCGKSA-N -1 3 291.351 1.971 10 5 CDBEHM CCOC(=O)[C@@H](C)[C@H](C)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000339086231 359283392 /nfs/dbraw/zinc/28/33/92/359283392.db2.gz YBLRQVCGBCMIST-UWVGGRQHSA-N -1 3 296.323 1.978 10 5 CDBEHM Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](c3nnn[n-]3)C2)n1 ZINC000161015882 360025225 /nfs/dbraw/zinc/02/52/25/360025225.db2.gz IBWALRLSGXAGOC-VIFPVBQESA-N -1 3 289.299 1.195 10 5 CDBEHM Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](c3nn[n-]n3)C2)n1 ZINC000161015882 360025227 /nfs/dbraw/zinc/02/52/27/360025227.db2.gz IBWALRLSGXAGOC-VIFPVBQESA-N -1 3 289.299 1.195 10 5 CDBEHM CCN1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000390001515 393127537 /nfs/dbraw/zinc/12/75/37/393127537.db2.gz PXIMDTYHQZVTTG-SNVBAGLBSA-N -1 3 279.296 1.124 10 5 CDBEHM O=C(NCc1ncccc1[O-])c1csc([N+](=O)[O-])c1 ZINC000352515889 155242305 /nfs/dbraw/zinc/24/23/05/155242305.db2.gz IQWCLYSGAKIPOH-UHFFFAOYSA-N -1 3 279.277 1.687 10 5 CDBEHM Cc1cc(C)c([N+](=O)[O-])c([N-]c2cnn(CC(N)=O)c2)n1 ZINC000359080034 158120119 /nfs/dbraw/zinc/12/01/19/158120119.db2.gz DKQRGFQSFOSVDA-UHFFFAOYSA-N -1 3 290.283 1.032 10 5 CDBEHM O=C([N-]c1ccc([N+](=O)[O-])cn1)c1csnn1 ZINC000039073122 280022839 /nfs/dbraw/zinc/02/28/39/280022839.db2.gz VDHZZOLZLNEDLN-UHFFFAOYSA-N -1 3 251.227 1.094 10 5 CDBEHM CCCC[N-]S(=O)(=O)c1cc(N)ccc1[N+](=O)[O-] ZINC000050633436 520694600 /nfs/dbraw/zinc/69/46/00/520694600.db2.gz FRRLDUPQRBPKCR-UHFFFAOYSA-N -1 3 273.314 1.255 10 5 CDBEHM Cc1cc(S(=O)(=O)[N-][C@H]2C=CCC2)c([N+](=O)[O-])s1 ZINC000867505958 688578138 /nfs/dbraw/zinc/57/81/38/688578138.db2.gz KDTSXYQVOAXWPO-QMMMGPOBSA-N -1 3 288.350 1.962 10 5 CDBEHM Nc1ccc([N-]C(=O)c2nnc(C3CC3)o2)cc1[N+](=O)[O-] ZINC001629193593 1166121223 /nfs/dbraw/zinc/12/12/23/1166121223.db2.gz KMMGIIXBNAKEJC-UHFFFAOYSA-N -1 3 289.251 1.690 10 5 CDBEHM CNc1nccc(C(=O)[N-]c2cc(C)on2)c1[N+](=O)[O-] ZINC001623509271 1165776249 /nfs/dbraw/zinc/77/62/49/1165776249.db2.gz GFHOFQMEGXTOHR-UHFFFAOYSA-N -1 3 277.240 1.580 10 5 CDBEHM Cc1oncc1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001643234380 1167238663 /nfs/dbraw/zinc/23/86/63/1167238663.db2.gz DPVTUNLXRDXXDK-UHFFFAOYSA-N -1 3 250.214 1.604 10 5 CDBEHM Cc1csc(N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC001292939819 954273002 /nfs/dbraw/zinc/27/30/02/954273002.db2.gz PROREWFVFACSNE-UHFFFAOYSA-N -1 3 294.292 1.737 10 5 CDBEHM Cn1nnc(C(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC001349901271 966519817 /nfs/dbraw/zinc/51/98/17/966519817.db2.gz YDAIPWTYRYYZTA-UHFFFAOYSA-N -1 3 282.647 1.024 10 5 CDBEHM CCOCCOCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001458635991 969321092 /nfs/dbraw/zinc/32/10/92/969321092.db2.gz ZYFKFDLSZBESJY-UHFFFAOYSA-N -1 3 271.273 1.160 10 5 CDBEHM Cc1cc([N+](=O)[O-])c(C(=O)[N-]c2nnn(C)n2)cc1Cl ZINC001516867022 969955337 /nfs/dbraw/zinc/95/53/37/969955337.db2.gz QQDMJHGYXNWUBH-UHFFFAOYSA-N -1 3 296.674 1.332 10 5 CDBEHM O=C(CCc1c(Cl)cccc1[N+](=O)[O-])[N-]OCCO ZINC001467302724 970044433 /nfs/dbraw/zinc/04/44/33/970044433.db2.gz WBOWOYSFBIPVBF-UHFFFAOYSA-N -1 3 288.687 1.221 10 5 CDBEHM C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000585740958 342455034 /nfs/dbraw/zinc/45/50/34/342455034.db2.gz GFNHGJQWWMPCEP-HTQZYQBOSA-N -1 3 256.283 1.282 10 5 CDBEHM CC(C)C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593608412 342818488 /nfs/dbraw/zinc/81/84/88/342818488.db2.gz REOFTFOFMFJQJC-MWLCHTKSSA-N -1 3 299.352 1.703 10 5 CDBEHM CC(C)Oc1cncc([N-]C(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC000594067642 342870267 /nfs/dbraw/zinc/87/02/67/342870267.db2.gz RIVSXEDXYGYQLW-UHFFFAOYSA-N -1 3 292.251 1.439 10 5 CDBEHM O=c1[n-]cnc2c1CN(c1ccncc1[N+](=O)[O-])CC2 ZINC000361046946 357777667 /nfs/dbraw/zinc/77/76/67/357777667.db2.gz UHIGVQPZCSOWDE-UHFFFAOYSA-N -1 3 273.252 1.048 10 5 CDBEHM N[C@H](CC(F)F)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000575121462 360840373 /nfs/dbraw/zinc/84/03/73/360840373.db2.gz RGWODDPHAVIKPN-ZCFIWIBFSA-N -1 3 275.211 1.221 10 5 CDBEHM C[C@@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])N1CCCC1 ZINC000217316034 373620498 /nfs/dbraw/zinc/62/04/98/373620498.db2.gz VUAHSRWFBMHRAZ-JTQLQIEISA-N -1 3 293.323 1.515 10 5 CDBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1C[C@H]1C1CC1 ZINC000430002878 393089071 /nfs/dbraw/zinc/08/90/71/393089071.db2.gz CDOIDDNZZFVSDG-VHSXEESVSA-N -1 3 282.321 1.672 10 5 CDBEHM O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ncccc1[O-] ZINC000352516057 155243116 /nfs/dbraw/zinc/24/31/16/155243116.db2.gz JHWJGQNKYHOAGG-UHFFFAOYSA-N -1 3 287.275 1.554 10 5 CDBEHM C[C@H]1CCCN(Cc2cccnc2[N+](=O)[O-])[C@H]1C(=O)[O-] ZINC000903407283 625984167 /nfs/dbraw/zinc/98/41/67/625984167.db2.gz GCVZKUYZQUHLGU-GXSJLCMTSA-N -1 3 279.296 1.675 10 5 CDBEHM O=c1[n-]c(=O)n(Cc2cc(F)ccc2[N+](=O)[O-])cc1Cl ZINC000091329724 695865249 /nfs/dbraw/zinc/86/52/49/695865249.db2.gz MSQDPLWQCRPCFW-UHFFFAOYSA-N -1 3 299.645 1.286 10 5 CDBEHM COc1cc(C(=O)[N-]n2ccccc2=O)ccc1[N+](=O)[O-] ZINC001648685935 1169151519 /nfs/dbraw/zinc/15/15/19/1169151519.db2.gz HYDOXJWXLASDOJ-UHFFFAOYSA-N -1 3 289.247 1.149 10 5 CDBEHM O=C([N-]OCCCC(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000871217038 724173667 /nfs/dbraw/zinc/17/36/67/724173667.db2.gz IYOMDXTZTJIGCO-PHDIDXHHSA-N -1 3 256.180 1.042 10 5 CDBEHM Cc1cc(=O)[n-]c(CNc2nccc(C)c2[N+](=O)[O-])n1 ZINC001163642590 939297294 /nfs/dbraw/zinc/29/72/94/939297294.db2.gz HICCLTWUOYTROE-UHFFFAOYSA-N -1 3 275.268 1.714 10 5 CDBEHM Cc1[nH]nc(C(=O)[N-]c2ccsn2)c1[N+](=O)[O-] ZINC001302923665 956038761 /nfs/dbraw/zinc/03/87/61/956038761.db2.gz CKNQPWULUXZJEA-UHFFFAOYSA-N -1 3 253.243 1.335 10 5 CDBEHM COc1cccnc1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001655574038 1171705660 /nfs/dbraw/zinc/70/56/60/1171705660.db2.gz ZJRVYROUWFACPW-UHFFFAOYSA-N -1 3 276.252 1.711 10 5 CDBEHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@H]2COC[C@@H]2C1 ZINC000595826433 343166923 /nfs/dbraw/zinc/16/69/23/343166923.db2.gz BPHXDYGXDPYGLK-JQWIXIFHSA-N -1 3 278.308 1.769 10 5 CDBEHM C[C@@H]1C[C@@H]1N1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1=O ZINC000596141124 343241730 /nfs/dbraw/zinc/24/17/30/343241730.db2.gz GMWFYVNADFLMQD-WEDXCCLWSA-N -1 3 292.295 1.117 10 5 CDBEHM O=c1[n-]ccc(N2CC[C@@H]3COC[C@H]3C2)c1[N+](=O)[O-] ZINC000596531856 343336366 /nfs/dbraw/zinc/33/63/66/343336366.db2.gz XTIOGJCEOFEDJT-RKDXNWHRSA-N -1 3 265.269 1.168 10 5 CDBEHM COc1ccc([N-]C(=O)c2nccc(C)n2)c([N+](=O)[O-])c1 ZINC000347997874 360037466 /nfs/dbraw/zinc/03/74/66/360037466.db2.gz VGGFCWBUPJTKMK-UHFFFAOYSA-N -1 3 288.263 1.954 10 5 CDBEHM CC[C@H]1[C@@H](CO)CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000449420708 374807467 /nfs/dbraw/zinc/80/74/67/374807467.db2.gz KBZTZCWXTCOTGQ-MFKMUULPSA-N -1 3 280.324 1.893 10 5 CDBEHM COC[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000339076681 293155113 /nfs/dbraw/zinc/15/51/13/293155113.db2.gz ZEEPSBAHEBWLIP-LBPRGKRZSA-N -1 3 266.297 1.815 10 5 CDBEHM CCN(CCC(=O)[O-])Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000579603333 324232450 /nfs/dbraw/zinc/23/24/50/324232450.db2.gz RBGJVDABUXJVOR-UHFFFAOYSA-N -1 3 282.296 1.900 10 5 CDBEHM CCC[N-]S(=O)(=O)c1cc(NCC)ccc1[N+](=O)[O-] ZINC000050636281 519979828 /nfs/dbraw/zinc/97/98/28/519979828.db2.gz LLJUQMOMUCXQPL-UHFFFAOYSA-N -1 3 287.341 1.715 10 5 CDBEHM CC1(C)C[C@@H]1[N-]S(=O)(=O)c1cc(N)ccc1[N+](=O)[O-] ZINC000050671384 520542182 /nfs/dbraw/zinc/54/21/82/520542182.db2.gz CKGUJTIZBXGKJN-JTQLQIEISA-N -1 3 285.325 1.254 10 5 CDBEHM CNc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CCC2)c1 ZINC000052215127 522643624 /nfs/dbraw/zinc/64/36/24/522643624.db2.gz XSQRRVNHEMMQMR-UHFFFAOYSA-N -1 3 285.325 1.467 10 5 CDBEHM CN(Cc1ccc(N)nc1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001642537934 1167179650 /nfs/dbraw/zinc/17/96/50/1167179650.db2.gz IZKKZQPMVABRJJ-UHFFFAOYSA-N -1 3 275.268 1.309 10 5 CDBEHM O=c1[n-]ccc(NCc2cccc(F)n2)c1[N+](=O)[O-] ZINC001650890240 1171266031 /nfs/dbraw/zinc/26/60/31/1171266031.db2.gz FHBUADIVZVSPQI-UHFFFAOYSA-N -1 3 264.216 1.842 10 5 CDBEHM C[C@H](OC(=O)c1cnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000805607793 727076998 /nfs/dbraw/zinc/07/69/98/727076998.db2.gz QQCHHBDWDHNCLX-ZETCQYMHSA-N -1 3 262.225 1.631 10 5 CDBEHM C[C@H](OC(=O)c1c[n-]nn1)c1cccc([N+](=O)[O-])c1 ZINC000805607793 727077005 /nfs/dbraw/zinc/07/70/05/727077005.db2.gz QQCHHBDWDHNCLX-ZETCQYMHSA-N -1 3 262.225 1.631 10 5 CDBEHM O=c1[n-]ccc(N[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c1[N+](=O)[O-] ZINC000866042745 727233603 /nfs/dbraw/zinc/23/36/03/727233603.db2.gz DTXIGVSNXCAIIS-BKZGHFGSSA-N -1 3 277.280 1.531 10 5 CDBEHM O=[N+]([O-])c1ccc(CN2CC[C@@H](c3nnn[n-]3)C2)c(F)c1 ZINC001560101107 960858238 /nfs/dbraw/zinc/85/82/38/960858238.db2.gz BXXCQAXIHHIVMR-SECBINFHSA-N -1 3 292.274 1.237 10 5 CDBEHM O=[N+]([O-])c1ccc(CN2CC[C@@H](c3nn[n-]n3)C2)c(F)c1 ZINC001560101107 960858247 /nfs/dbraw/zinc/85/82/47/960858247.db2.gz BXXCQAXIHHIVMR-SECBINFHSA-N -1 3 292.274 1.237 10 5 CDBEHM CC(C)(F)C[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000601476151 342565915 /nfs/dbraw/zinc/56/59/15/342565915.db2.gz HPRMNCIDNIGRIK-UHFFFAOYSA-N -1 3 290.316 1.762 10 5 CDBEHM CC(C)(F)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000594853216 342964083 /nfs/dbraw/zinc/96/40/83/342964083.db2.gz SHMKUNWHVWZRDQ-UHFFFAOYSA-N -1 3 291.304 1.406 10 5 CDBEHM COc1ccc(CN(C)[C@H]2C[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000595279444 343022202 /nfs/dbraw/zinc/02/22/02/343022202.db2.gz NJVUZEILOVIBEK-PHIMTYICSA-N -1 3 294.307 1.898 10 5 CDBEHM O=c1[n-]ccc(N2CCN(CC(F)F)CC2)c1[N+](=O)[O-] ZINC000596096476 343234987 /nfs/dbraw/zinc/23/49/87/343234987.db2.gz HWWCNUAYXZHXFH-UHFFFAOYSA-N -1 3 288.254 1.083 10 5 CDBEHM O=c1[n-]ccc(N2CC[C@@]3(C2)CCCOC3)c1[N+](=O)[O-] ZINC000596226244 343272196 /nfs/dbraw/zinc/27/21/96/343272196.db2.gz PPTBUEGRQLXJAC-CYBMUJFWSA-N -1 3 279.296 1.702 10 5 CDBEHM O=c1[n-]ccc(N[C@H]2CCC[C@H](CO)C2)c1[N+](=O)[O-] ZINC000596275705 343295689 /nfs/dbraw/zinc/29/56/89/343295689.db2.gz ADTUFIWYNULBDH-IUCAKERBSA-N -1 3 267.285 1.658 10 5 CDBEHM O=c1[n-]ccc(N2CCN(CCCF)CC2)c1[N+](=O)[O-] ZINC000599094802 343953734 /nfs/dbraw/zinc/95/37/34/343953734.db2.gz XZFJIJRNMHCXSB-UHFFFAOYSA-N -1 3 284.291 1.177 10 5 CDBEHM C[C@H]1OCC[C@]1(C)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000339126672 291237595 /nfs/dbraw/zinc/23/75/95/291237595.db2.gz SWHBFKIPEANMPR-RNCFNFMXSA-N -1 3 266.297 1.958 10 5 CDBEHM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCN3CCC[C@@H]3C2)c1 ZINC000211412528 373936386 /nfs/dbraw/zinc/93/63/86/373936386.db2.gz YIGOVUHPSSXAKQ-LLVKDONJSA-N -1 3 291.307 1.577 10 5 CDBEHM COc1cc(=NC(=O)c2cccc(C)c2[N+](=O)[O-])[n-]n1C ZINC000548472965 289892319 /nfs/dbraw/zinc/89/23/19/289892319.db2.gz JODXGLFGADNGDK-UHFFFAOYSA-N -1 3 290.279 1.320 10 5 CDBEHM CC(C)CC[N-]S(=O)(=O)c1cc(N)ccc1[N+](=O)[O-] ZINC000050633825 519663568 /nfs/dbraw/zinc/66/35/68/519663568.db2.gz ZFKBLRDRGFIZMZ-UHFFFAOYSA-N -1 3 287.341 1.501 10 5 CDBEHM CCN1CCC[C@@H]1CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000233473978 535567432 /nfs/dbraw/zinc/56/74/32/535567432.db2.gz DSFGVXPVQFWNDF-SNVBAGLBSA-N -1 3 293.323 1.515 10 5 CDBEHM O=c1[n-]ccc(N2CC[C@@H](c3cnccn3)C2)c1[N+](=O)[O-] ZINC001655887786 1171735513 /nfs/dbraw/zinc/73/55/13/1171735513.db2.gz WOHWNBJYVYASGV-SECBINFHSA-N -1 3 287.279 1.479 10 5 CDBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3C[C@@H]3C2)nc1 ZINC000593612107 342818569 /nfs/dbraw/zinc/81/85/69/342818569.db2.gz BSCHXLIBZNPNOP-OPRDCNLKSA-N -1 3 297.336 1.457 10 5 CDBEHM C[C@H]1COCC[C@@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596208305 343266722 /nfs/dbraw/zinc/26/67/22/343266722.db2.gz JRBNUUUPEVIGQB-YUMQZZPRSA-N -1 3 253.258 1.532 10 5 CDBEHM CCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCN(C)C1 ZINC000597946360 343676184 /nfs/dbraw/zinc/67/61/84/343676184.db2.gz PETMVRXTZQYYRV-NSHDSACASA-N -1 3 293.323 1.467 10 5 CDBEHM Cc1ncoc1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000074599226 1172055536 /nfs/dbraw/zinc/05/55/36/1172055536.db2.gz LFGBRXGUOSDETL-UHFFFAOYSA-N -1 3 297.292 1.370 10 5 CDBEHM Cc1cc(C)c([N+](=O)[O-])c(N(C)C[C@@H](C)c2nnn[n-]2)n1 ZINC000360966952 357761039 /nfs/dbraw/zinc/76/10/39/357761039.db2.gz WEFNPDQQWOTUCH-MRVPVSSYSA-N -1 3 291.315 1.360 10 5 CDBEHM Cc1cc(C)c([N+](=O)[O-])c(N(C)C[C@@H](C)c2nn[n-]n2)n1 ZINC000360966952 357761042 /nfs/dbraw/zinc/76/10/42/357761042.db2.gz WEFNPDQQWOTUCH-MRVPVSSYSA-N -1 3 291.315 1.360 10 5 CDBEHM NN=c1nc(Cl)[n-]c(Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000584635966 358760815 /nfs/dbraw/zinc/76/08/15/358760815.db2.gz WFPGXKCFKPJLTN-UHFFFAOYSA-N -1 3 281.663 1.462 10 5 CDBEHM COc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2F)n[n-]1 ZINC000158208795 237127963 /nfs/dbraw/zinc/12/79/63/237127963.db2.gz DFGLZIRSJHXLTE-UHFFFAOYSA-N -1 3 281.203 1.113 10 5 CDBEHM CN(CCCC(=O)[O-])Cc1cccc([N+](=O)[O-])c1 ZINC000042717044 364614544 /nfs/dbraw/zinc/61/45/44/364614544.db2.gz HCIKFGDCWVHRPO-UHFFFAOYSA-N -1 3 252.270 1.891 10 5 CDBEHM Cc1cc(S(=O)(=O)[N-]C(C)C)c([N+](=O)[O-])s1 ZINC000601279258 375396952 /nfs/dbraw/zinc/39/69/52/375396952.db2.gz STYNRVRQOBNNLO-UHFFFAOYSA-N -1 3 264.328 1.651 10 5 CDBEHM O=C(NCc1ncccc1[O-])c1ccc([N+](=O)[O-])o1 ZINC000352507585 155235497 /nfs/dbraw/zinc/23/54/97/155235497.db2.gz KOUMHPXHABZBDG-UHFFFAOYSA-N -1 3 263.209 1.218 10 5 CDBEHM CCCNCc1cc([N+](=O)[O-])ccc1O[C@H](C)C(=O)[O-] ZINC000043625126 175081215 /nfs/dbraw/zinc/08/12/15/175081215.db2.gz USQRCINDHVHVPY-SECBINFHSA-N -1 3 282.296 1.946 10 5 CDBEHM CNCc1ccc(O[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000043641270 175084504 /nfs/dbraw/zinc/08/45/04/175084504.db2.gz JKTMRACBPPXPNO-ZETCQYMHSA-N -1 3 254.242 1.166 10 5 CDBEHM O=C([O-])c1cc([N+](=O)[O-])ccc1N[C@H]1CCN(C2CC2)C1 ZINC000044679312 175228740 /nfs/dbraw/zinc/22/87/40/175228740.db2.gz QTHNRHXPNRGTHF-VIFPVBQESA-N -1 3 291.307 1.942 10 5 CDBEHM O=[N+]([O-])c1ccc([O-])cc1CN[C@H]1CCC[C@@H]1CCO ZINC000339125375 304804368 /nfs/dbraw/zinc/80/43/68/304804368.db2.gz VAQDHNKCQUFZPV-MFKMUULPSA-N -1 3 280.324 1.941 10 5 CDBEHM CC[C@@H](C)C[N-]S(=O)(=O)c1cc(N)ccc1[N+](=O)[O-] ZINC000054492133 521996805 /nfs/dbraw/zinc/99/68/05/521996805.db2.gz XXDLARNPSHEASY-MRVPVSSYSA-N -1 3 287.341 1.501 10 5 CDBEHM CCN1CCC[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000186012608 535535686 /nfs/dbraw/zinc/53/56/86/535535686.db2.gz UOLDWLQVSVHYOA-LLVKDONJSA-N -1 3 293.323 1.515 10 5 CDBEHM O=c1cc([C@H]2CCN(c3ncc([N+](=O)[O-])cc3F)C2)[n-][nH]1 ZINC001642884490 1167210655 /nfs/dbraw/zinc/21/06/55/1167210655.db2.gz CMFGMGFFODVJDS-ZETCQYMHSA-N -1 3 293.258 1.552 10 5 CDBEHM O=c1[n-]ccc(N2CCC[C@@H](c3nnc[nH]3)C2)c1[N+](=O)[O-] ZINC001655814954 1171727107 /nfs/dbraw/zinc/72/71/07/1171727107.db2.gz NQSDCFKGUXHNKT-MRVPVSSYSA-N -1 3 290.283 1.198 10 5 CDBEHM CC(F)(F)C(=O)[N-][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000866080959 1164731508 /nfs/dbraw/zinc/73/15/08/1164731508.db2.gz YLJYUFWRFIWYBX-NSHDSACASA-N -1 3 288.250 1.574 10 5 CDBEHM O=C1O[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])CN1C1CC1 ZINC000853718369 928081645 /nfs/dbraw/zinc/08/16/45/928081645.db2.gz CULYIULBKLEFGL-MRVPVSSYSA-N -1 3 294.267 1.091 10 5 CDBEHM Cn1cnc([N+](=O)[O-])c1[N-]C(=O)c1coc(C(C)(C)C)n1 ZINC001544711084 967379938 /nfs/dbraw/zinc/37/99/38/967379938.db2.gz RBCBQASOHMJOOK-UHFFFAOYSA-N -1 3 293.283 1.866 10 5 CDBEHM Cc1cccc([O-])c1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001466347749 969944795 /nfs/dbraw/zinc/94/47/95/969944795.db2.gz IWJSAEIDXSGFDA-UHFFFAOYSA-N -1 3 262.225 1.584 10 5 CDBEHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000601411816 342560700 /nfs/dbraw/zinc/56/07/00/342560700.db2.gz BAYFYDQFXHTLPN-HZGVNTEJSA-N -1 3 288.300 1.729 10 5 CDBEHM O=c1[n-]ccc(NCC[C@@H]2CCCOC2)c1[N+](=O)[O-] ZINC000599116715 343962302 /nfs/dbraw/zinc/96/23/02/343962302.db2.gz LKZVWUKGHKOVLI-VIFPVBQESA-N -1 3 267.285 1.924 10 5 CDBEHM O=[N+]([O-])c1ccc([O-])cc1CN1C[C@@H]2COC[C@@H]2C1 ZINC000601975562 344305238 /nfs/dbraw/zinc/30/52/38/344305238.db2.gz LCXXQCUUGGVDSP-PHIMTYICSA-N -1 3 264.281 1.379 10 5 CDBEHM C[C@H]1COCC[C@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000339127562 359296782 /nfs/dbraw/zinc/29/67/82/359296782.db2.gz UNZQVYQZJVCANU-JOYOIKCWSA-N -1 3 266.297 1.815 10 5 CDBEHM Cc1sc(S(=O)(=O)[N-]CC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000124248086 374762452 /nfs/dbraw/zinc/76/24/52/374762452.db2.gz UVKABCHYLTVZNW-ZCFIWIBFSA-N -1 3 294.354 1.014 10 5 CDBEHM CN(C)c1ncnc([N-]c2cccnc2)c1[N+](=O)[O-] ZINC000040608393 174353185 /nfs/dbraw/zinc/35/31/85/174353185.db2.gz BXPYKZBIHVHFQQ-UHFFFAOYSA-N -1 3 260.257 1.589 10 5 CDBEHM COCCNc1ncnc([N-]c2cccnc2)c1[N+](=O)[O-] ZINC000040628359 174357028 /nfs/dbraw/zinc/35/70/28/174357028.db2.gz ZGCZFPPMCSEQHC-UHFFFAOYSA-N -1 3 290.283 1.582 10 5 CDBEHM CCc1coc([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])n1 ZINC000581080712 324647683 /nfs/dbraw/zinc/64/76/83/324647683.db2.gz WZGNNFOJOGAWLV-UHFFFAOYSA-N -1 3 265.229 1.131 10 5 CDBEHM N[C@@H](COc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000050440748 527334888 /nfs/dbraw/zinc/33/48/88/527334888.db2.gz PETBBGJOLXVRGN-ZETCQYMHSA-N -1 3 295.078 1.692 10 5 CDBEHM O=C(NCc1ccc([N+](=O)[O-])cc1)c1cc(=O)[n-]cn1 ZINC001464347543 1167749413 /nfs/dbraw/zinc/74/94/13/1167749413.db2.gz DYABLUSHXNNPCC-UHFFFAOYSA-N -1 3 274.236 1.020 10 5 CDBEHM COc1ccc(NC(=O)c2cc(=O)[n-]cn2)cc1[N+](=O)[O-] ZINC001597260690 1174263224 /nfs/dbraw/zinc/26/32/24/1174263224.db2.gz VHSZJHADFMARCQ-UHFFFAOYSA-N -1 3 290.235 1.351 10 5 CDBEHM CC(C)Cc1coc([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])n1 ZINC001133921670 1163968110 /nfs/dbraw/zinc/96/81/10/1163968110.db2.gz HRSHOYWHTQXDCR-UHFFFAOYSA-N -1 3 293.283 1.767 10 5 CDBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nccc3ccncc32)n1 ZINC000801695161 735787461 /nfs/dbraw/zinc/78/74/61/735787461.db2.gz LUDHIBNRUMLUAO-UHFFFAOYSA-N -1 3 298.262 1.524 10 5 CDBEHM Cc1nc2c(c(=O)[n-]1)CN(Cc1csc([N+](=O)[O-])c1)C2 ZINC000931321728 734803167 /nfs/dbraw/zinc/80/31/67/734803167.db2.gz SNOFBUMJKBIIGX-UHFFFAOYSA-N -1 3 292.320 1.976 10 5 CDBEHM CCc1cnc([N-]C(=O)c2ccc([N+](=O)[O-])o2)o1 ZINC001525003220 970920236 /nfs/dbraw/zinc/92/02/36/970920236.db2.gz TWHKDQXXTIZVMM-UHFFFAOYSA-N -1 3 251.198 1.991 10 5 CDBEHM CCCO[N-]C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC001452302277 968097755 /nfs/dbraw/zinc/09/77/55/968097755.db2.gz HPYMVRCFHKUUDM-UHFFFAOYSA-N -1 3 291.263 1.920 10 5 CDBEHM CO[N-]C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001463994114 969764177 /nfs/dbraw/zinc/76/41/77/969764177.db2.gz GKIYRKMQWJJXFW-UHFFFAOYSA-N -1 3 289.085 1.577 10 5 CDBEHM CN1C[C@@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001652491457 1171443465 /nfs/dbraw/zinc/44/34/65/1171443465.db2.gz JQHAFEPRZIDYNR-GFCCVEGCSA-N -1 3 293.323 1.370 10 5 CDBEHM C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000585741018 342455002 /nfs/dbraw/zinc/45/50/02/342455002.db2.gz OYOWWKIEMPNRAM-HTRCEHHLSA-N -1 3 290.728 1.935 10 5 CDBEHM Cc1cc(S(=O)(=O)[N-]CC2CC2)c([N+](=O)[O-])s1 ZINC000601297496 342550543 /nfs/dbraw/zinc/55/05/43/342550543.db2.gz ARQFFNZZWXRXRZ-UHFFFAOYSA-N -1 3 276.339 1.653 10 5 CDBEHM CC(C)CC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000595364377 343040623 /nfs/dbraw/zinc/04/06/23/343040623.db2.gz OFOGZHVKOGSBEA-UHFFFAOYSA-N -1 3 299.352 1.847 10 5 CDBEHM C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H](C)C1O ZINC000596470411 343333644 /nfs/dbraw/zinc/33/36/44/343333644.db2.gz UOGRWPRJGGBFCA-HTQZYQBOSA-N -1 3 267.285 1.149 10 5 CDBEHM O=c1[n-]ccc(N2C[C@@H]3CC[C@@H](O)C[C@H]3C2)c1[N+](=O)[O-] ZINC000596273205 343294453 /nfs/dbraw/zinc/29/44/53/343294453.db2.gz FXQSRFDMLGEGBC-LPEHRKFASA-N -1 3 279.296 1.293 10 5 CDBEHM C[C@@]1(C2CC2)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596339130 343298496 /nfs/dbraw/zinc/29/84/96/343298496.db2.gz RIYJASBXMGEBFD-ZDUSSCGKSA-N -1 3 279.296 1.701 10 5 CDBEHM CCc1ccc([O-])c(NC(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000347664247 376713428 /nfs/dbraw/zinc/71/34/28/376713428.db2.gz GDJOPMRNSONHAF-UHFFFAOYSA-N -1 3 290.279 1.849 10 5 CDBEHM CN(Cc1cc([O-])ccc1[N+](=O)[O-])C[C@@H]1CCCN1C ZINC000421003856 392926182 /nfs/dbraw/zinc/92/61/82/392926182.db2.gz SEMWVODIOQNRBB-LBPRGKRZSA-N -1 3 279.340 1.826 10 5 CDBEHM CC(C)(CCC(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1)[N+](=O)[O-] ZINC001583357643 1172754698 /nfs/dbraw/zinc/75/46/98/1172754698.db2.gz KPMQIQXQGXRKGW-SECBINFHSA-N -1 3 296.327 1.267 10 5 CDBEHM CN(Cc1ccccc1)c1[n-]cnc(=NN)c1[N+](=O)[O-] ZINC000040572947 174339293 /nfs/dbraw/zinc/33/92/93/174339293.db2.gz LHYLHXRHOCVSEN-UHFFFAOYSA-N -1 3 274.284 1.307 10 5 CDBEHM NN=c1nc[n-]c(NCCc2cccs2)c1[N+](=O)[O-] ZINC000040656852 174365507 /nfs/dbraw/zinc/36/55/07/174365507.db2.gz PEDQSLVYLVOQFW-UHFFFAOYSA-N -1 3 280.313 1.387 10 5 CDBEHM 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CCC[C@H](NCc1ccc([N+](=O)[O-])s1)C(=O)[O-] ZINC000077012016 177147240 /nfs/dbraw/zinc/14/72/40/177147240.db2.gz SHOJLECQZYFHAR-QMMMGPOBSA-N -1 3 258.299 1.999 10 5 CDBEHM CO[C@@H]1C[C@@H](CC(=O)[O-])N(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000582732204 325034059 /nfs/dbraw/zinc/03/40/59/325034059.db2.gz SGFCQXFIPANIII-QWHCGFSZSA-N -1 3 294.307 1.659 10 5 CDBEHM Cc1oncc1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000585362587 1160085419 /nfs/dbraw/zinc/08/54/19/1160085419.db2.gz AMLNJVUAYHEVAH-UHFFFAOYSA-N -1 3 297.292 1.370 10 5 CDBEHM Cc1cc(C)c(OC[C@@H](N)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000050442069 524312281 /nfs/dbraw/zinc/31/22/81/524312281.db2.gz WINSDCOEJZPYNB-MRVPVSSYSA-N -1 3 254.242 1.002 10 5 CDBEHM COc1nnc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)[n-]1 ZINC000182993353 524983231 /nfs/dbraw/zinc/98/32/31/524983231.db2.gz WNYXKRUGDZTULX-UHFFFAOYSA-N -1 3 291.267 1.211 10 5 CDBEHM COc1nc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)n[n-]1 ZINC000182993353 524983241 /nfs/dbraw/zinc/98/32/41/524983241.db2.gz WNYXKRUGDZTULX-UHFFFAOYSA-N -1 3 291.267 1.211 10 5 CDBEHM COc1n[n-]c(NC(=O)Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000182993353 524983252 /nfs/dbraw/zinc/98/32/52/524983252.db2.gz WNYXKRUGDZTULX-UHFFFAOYSA-N -1 3 291.267 1.211 10 5 CDBEHM O=c1[n-]ccc(NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)c1[N+](=O)[O-] ZINC000896078410 619967824 /nfs/dbraw/zinc/96/78/24/619967824.db2.gz KOAUIMANLSPBBK-AEJSXWLSSA-N -1 3 277.280 1.698 10 5 CDBEHM O=c1[n-]ccc(N2CC[C@@H](c3ncccn3)C2)c1[N+](=O)[O-] ZINC001187716280 920620403 /nfs/dbraw/zinc/62/04/03/920620403.db2.gz HWXBTZRUPKVUCQ-SECBINFHSA-N -1 3 287.279 1.479 10 5 CDBEHM C[C@H]1[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])CCN1C ZINC000719337459 934849637 /nfs/dbraw/zinc/84/96/37/934849637.db2.gz NAVTZAIBUCUVKP-GZMMTYOYSA-N -1 3 279.296 1.123 10 5 CDBEHM CC(C)O[C@]1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCOC1 ZINC001472884249 970719852 /nfs/dbraw/zinc/71/98/52/970719852.db2.gz WEPULNZYEMDPDB-ZDUSSCGKSA-N -1 3 297.311 1.691 10 5 CDBEHM CCC[C@@H](CC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593536050 342809745 /nfs/dbraw/zinc/80/97/45/342809745.db2.gz JJFPSZZFACFFIR-SECBINFHSA-N -1 3 287.341 1.847 10 5 CDBEHM C[C@H]1COCC[C@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596208302 343266732 /nfs/dbraw/zinc/26/67/32/343266732.db2.gz JRBNUUUPEVIGQB-JGVFFNPUSA-N -1 3 253.258 1.532 10 5 CDBEHM C[C@]1(C2CC2)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596339129 343298197 /nfs/dbraw/zinc/29/81/97/343298197.db2.gz RIYJASBXMGEBFD-CYBMUJFWSA-N -1 3 279.296 1.701 10 5 CDBEHM CC(C)[C@@H]1CN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CCN1 ZINC000598576629 343834251 /nfs/dbraw/zinc/83/42/51/343834251.db2.gz YBQJHJBXPXRJDI-LBPRGKRZSA-N -1 3 293.323 1.370 10 5 CDBEHM CCc1ccc(NC(=O)[C@@H](N)CCC(=O)[O-])cc1[N+](=O)[O-] ZINC000085819847 179182514 /nfs/dbraw/zinc/18/25/14/179182514.db2.gz NJHYJVYQENYNSB-JTQLQIEISA-N -1 3 295.295 1.288 10 5 CDBEHM COc1cc(CNc2nccn2C)c([N+](=O)[O-])cc1[O-] ZINC000414297247 241144252 /nfs/dbraw/zinc/14/42/52/241144252.db2.gz HBVCNRUOCPPZQA-UHFFFAOYSA-N -1 3 278.268 1.655 10 5 CDBEHM CN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000272392819 367721452 /nfs/dbraw/zinc/72/14/52/367721452.db2.gz LOWSQJHSBRKBJA-JTQLQIEISA-N -1 3 279.296 1.124 10 5 CDBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCCOC1 ZINC000171542013 375255545 /nfs/dbraw/zinc/25/55/45/375255545.db2.gz FKBIMGNTZGNNSN-VIFPVBQESA-N -1 3 286.309 1.052 10 5 CDBEHM COC(=O)c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c[n-]1 ZINC000431269740 247776912 /nfs/dbraw/zinc/77/69/12/247776912.db2.gz KXHDEIIAEOJSCH-UHFFFAOYSA-N -1 3 289.247 1.962 10 5 CDBEHM CN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000194717276 392873942 /nfs/dbraw/zinc/87/39/42/392873942.db2.gz CAOVHUUWAAQXSN-JTQLQIEISA-N -1 3 279.296 1.124 10 5 CDBEHM Cc1c(N[C@H]2CCN(C)C2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000043387145 175032598 /nfs/dbraw/zinc/03/25/98/175032598.db2.gz DJVNEPPHYPMYGS-JTQLQIEISA-N -1 3 279.296 1.717 10 5 CDBEHM Cc1ccc([N+](=O)[O-])cc1-c1noc(-c2nc(N)n[n-]2)n1 ZINC000055169983 526066461 /nfs/dbraw/zinc/06/64/61/526066461.db2.gz NGPGSNWJVMVFPV-UHFFFAOYSA-N -1 3 287.239 1.321 10 5 CDBEHM Cc1ccc([N+](=O)[O-])cc1-c1noc(-c2nnc(N)[n-]2)n1 ZINC000055169983 526066474 /nfs/dbraw/zinc/06/64/74/526066474.db2.gz NGPGSNWJVMVFPV-UHFFFAOYSA-N -1 3 287.239 1.321 10 5 CDBEHM Cc1ccc([N+](=O)[O-])cc1-c1noc(-c2n[n-]c(N)n2)n1 ZINC000055169983 526066490 /nfs/dbraw/zinc/06/64/90/526066490.db2.gz NGPGSNWJVMVFPV-UHFFFAOYSA-N -1 3 287.239 1.321 10 5 CDBEHM COc1cc(COC(=O)c2cnn[n-]2)ccc1[N+](=O)[O-] ZINC000805606226 1162585616 /nfs/dbraw/zinc/58/56/16/1162585616.db2.gz VCDMSCQYKGTRMV-UHFFFAOYSA-N -1 3 278.224 1.079 10 5 CDBEHM COc1cc(COC(=O)c2c[n-]nn2)ccc1[N+](=O)[O-] ZINC000805606226 1162585620 /nfs/dbraw/zinc/58/56/20/1162585620.db2.gz VCDMSCQYKGTRMV-UHFFFAOYSA-N -1 3 278.224 1.079 10 5 CDBEHM O=C(Nc1n[nH]c2ccccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001617951334 1165613592 /nfs/dbraw/zinc/61/35/92/1165613592.db2.gz GIFIWOJLGMKARA-UHFFFAOYSA-N -1 3 299.246 1.824 10 5 CDBEHM Cc1ccc([N+](=O)[O-])c(SCCc2nnn[n-]2)n1 ZINC001642829805 1167200576 /nfs/dbraw/zinc/20/05/76/1167200576.db2.gz HKJUHVOWJDZJRJ-UHFFFAOYSA-N -1 3 266.286 1.146 10 5 CDBEHM Cc1ccc([N+](=O)[O-])c(SCCc2nn[n-]n2)n1 ZINC001642829805 1167200581 /nfs/dbraw/zinc/20/05/81/1167200581.db2.gz HKJUHVOWJDZJRJ-UHFFFAOYSA-N -1 3 266.286 1.146 10 5 CDBEHM CN(C[C@H](O)c1cccnc1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001655832453 1171726962 /nfs/dbraw/zinc/72/69/62/1171726962.db2.gz LWIUWMJLDKBPEL-NSHDSACASA-N -1 3 290.279 1.260 10 5 CDBEHM C[C@H](CO)[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848579852 906346526 /nfs/dbraw/zinc/34/65/26/906346526.db2.gz CLFWGGAQJRFXME-SSDOTTSWSA-N -1 3 290.222 1.063 10 5 CDBEHM Cn1ccnc([N-]C(=O)c2c(F)cccc2[N+](=O)[O-])c1=O ZINC001126581993 906383857 /nfs/dbraw/zinc/38/38/57/906383857.db2.gz JWOWEAWVFXSNLN-UHFFFAOYSA-N -1 3 292.226 1.080 10 5 CDBEHM CN1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C(C)(C)C1 ZINC001178709969 915604138 /nfs/dbraw/zinc/60/41/38/915604138.db2.gz SWZPGCWCDDYROW-GFCCVEGCSA-N -1 3 293.323 1.370 10 5 CDBEHM C=C=CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001191935408 922821441 /nfs/dbraw/zinc/82/14/41/922821441.db2.gz YOJKMVWRDXSDMG-UHFFFAOYSA-N -1 3 272.257 1.353 10 5 CDBEHM O=[N+]([O-])c1cc(CN2CC[C@@H](c3nnn[n-]3)C2)cs1 ZINC001654629451 1171627289 /nfs/dbraw/zinc/62/72/89/1171627289.db2.gz FPRVZUHSWOTTQY-MRVPVSSYSA-N -1 3 280.313 1.159 10 5 CDBEHM O=[N+]([O-])c1cc(CN2CC[C@@H](c3nn[n-]n3)C2)cs1 ZINC001654629451 1171627297 /nfs/dbraw/zinc/62/72/97/1171627297.db2.gz FPRVZUHSWOTTQY-MRVPVSSYSA-N -1 3 280.313 1.159 10 5 CDBEHM CC[C@H](C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000594819542 342957264 /nfs/dbraw/zinc/95/72/64/342957264.db2.gz XHPBUIDDPUMIDH-VIFPVBQESA-N -1 3 287.341 1.704 10 5 CDBEHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@H]2COC[C@@H]2C1 ZINC000595826434 343167022 /nfs/dbraw/zinc/16/70/22/343167022.db2.gz BPHXDYGXDPYGLK-PWSUYJOCSA-N -1 3 278.308 1.769 10 5 CDBEHM COCC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596296772 343291038 /nfs/dbraw/zinc/29/10/38/343291038.db2.gz APUOQVOSVZBALL-UHFFFAOYSA-N -1 3 253.258 1.534 10 5 CDBEHM CC(C)c1cc([N-]C(=O)Cn2cc([N+](=O)[O-])cn2)on1 ZINC000609962310 346050785 /nfs/dbraw/zinc/05/07/85/346050785.db2.gz DJJSODPRDYHQNZ-UHFFFAOYSA-N -1 3 279.256 1.541 10 5 CDBEHM CCOC(=O)[C@@H]1CC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596225832 358658540 /nfs/dbraw/zinc/65/85/40/358658540.db2.gz PRIGKZVUXXJJOU-BDAKNGLRSA-N -1 3 295.295 1.839 10 5 CDBEHM CN(CCOCC(=O)[O-])CCc1cccc([N+](=O)[O-])c1 ZINC000572006876 359738569 /nfs/dbraw/zinc/73/85/69/359738569.db2.gz LVKATCUXEGITRJ-UHFFFAOYSA-N -1 3 282.296 1.170 10 5 CDBEHM CCN1CCC[C@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000166715470 360234262 /nfs/dbraw/zinc/23/42/62/360234262.db2.gz IMKYTKLMPSSWJU-VIFPVBQESA-N -1 3 294.311 1.584 10 5 CDBEHM CN([O-])S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1 ZINC000306565080 360499198 /nfs/dbraw/zinc/49/91/98/360499198.db2.gz FHSNZYPJHUXVDG-UHFFFAOYSA-N -1 3 272.691 1.319 10 5 CDBEHM CCN1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000181985756 365059026 /nfs/dbraw/zinc/05/90/26/365059026.db2.gz IDLMUIYLGDGAGL-SNVBAGLBSA-N -1 3 293.323 1.515 10 5 CDBEHM CCN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000390001512 393127318 /nfs/dbraw/zinc/12/73/18/393127318.db2.gz PXIMDTYHQZVTTG-JTQLQIEISA-N -1 3 279.296 1.124 10 5 CDBEHM CC(C)(C)NN=c1[n-]cnc(N2CCCC2)c1[N+](=O)[O-] ZINC000040609236 174353601 /nfs/dbraw/zinc/35/36/01/174353601.db2.gz GKAJCNREHIVPHH-UHFFFAOYSA-N -1 3 280.332 1.700 10 5 CDBEHM CC(C)(C)NN=c1nc[n-]c(N2CCCC2)c1[N+](=O)[O-] ZINC000040609236 174353603 /nfs/dbraw/zinc/35/36/03/174353603.db2.gz GKAJCNREHIVPHH-UHFFFAOYSA-N -1 3 280.332 1.700 10 5 CDBEHM COc1ccc(CNc2[n-]cnc(=NN)c2[N+](=O)[O-])cc1 ZINC000040619291 174354218 /nfs/dbraw/zinc/35/42/18/174354218.db2.gz QABLCEDYIHNJFX-UHFFFAOYSA-N -1 3 290.283 1.291 10 5 CDBEHM CNc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2C[C@H]2C)c1 ZINC000052302350 522643583 /nfs/dbraw/zinc/64/35/83/522643583.db2.gz QUGLPBZEALJCOH-VXNVDRBHSA-N -1 3 285.325 1.323 10 5 CDBEHM O=C([O-])CN1CCCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000061146016 527610008 /nfs/dbraw/zinc/61/00/08/527610008.db2.gz RJDQFDJSLHTLFD-UHFFFAOYSA-N -1 3 297.286 1.331 10 5 CDBEHM COc1nnc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])[n-]1 ZINC001566428024 1168270357 /nfs/dbraw/zinc/27/03/57/1168270357.db2.gz MLKUXJLYQNMTTM-UHFFFAOYSA-N -1 3 295.230 1.042 10 5 CDBEHM COc1nc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])n[n-]1 ZINC001566428024 1168270366 /nfs/dbraw/zinc/27/03/66/1168270366.db2.gz MLKUXJLYQNMTTM-UHFFFAOYSA-N -1 3 295.230 1.042 10 5 CDBEHM COc1n[n-]c(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])n1 ZINC001566428024 1168270376 /nfs/dbraw/zinc/27/03/76/1168270376.db2.gz MLKUXJLYQNMTTM-UHFFFAOYSA-N -1 3 295.230 1.042 10 5 CDBEHM O=[N+]([O-])c1cnn(Cc2nnc(-c3ccccc3[O-])o2)c1 ZINC001651754955 1171357716 /nfs/dbraw/zinc/35/77/16/1171357716.db2.gz YPJAOHBMLUWPKP-UHFFFAOYSA-N -1 3 287.235 1.595 10 5 CDBEHM O=C([N-]C1=NCCS1)c1c(F)cccc1[N+](=O)[O-] ZINC001348693823 966134209 /nfs/dbraw/zinc/13/42/09/966134209.db2.gz KECPCRSSVWIEPE-UHFFFAOYSA-N -1 3 269.257 1.567 10 5 CDBEHM O=c1[n-]ccc(NCc2noc3c2COCC3)c1[N+](=O)[O-] ZINC001458634720 969324876 /nfs/dbraw/zinc/32/48/76/969324876.db2.gz VOFWLRAARAUNEL-UHFFFAOYSA-N -1 3 292.251 1.368 10 5 CDBEHM O=c1[n-]ccc(N[C@@H]2c3ccccc3C[C@@H]2O)c1[N+](=O)[O-] ZINC001472668635 970685150 /nfs/dbraw/zinc/68/51/50/970685150.db2.gz UCXJENWUVLZONE-NWDGAFQWSA-N -1 3 287.275 1.766 10 5 CDBEHM CCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593557864 342811754 /nfs/dbraw/zinc/81/17/54/342811754.db2.gz GFCAXAXNMJSPQM-UHFFFAOYSA-N -1 3 285.325 1.458 10 5 CDBEHM CC[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593523236 342806562 /nfs/dbraw/zinc/80/65/62/342806562.db2.gz MRJSJQJUXIBFQN-SSDOTTSWSA-N -1 3 259.287 1.067 10 5 CDBEHM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H](CO)C1CCC1 ZINC000594956294 342983293 /nfs/dbraw/zinc/98/32/93/342983293.db2.gz JAPUAJBNZKUQPN-LBPRGKRZSA-N -1 3 266.297 1.551 10 5 CDBEHM 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O=[N+]([O-])c1cc(CN[C@@H]2COC[C@@H]2C2CC2)ccc1[O-] ZINC000725269283 538460347 /nfs/dbraw/zinc/46/03/47/538460347.db2.gz JEVDKURMTOTNHP-VXGBXAGGSA-N -1 3 278.308 1.815 10 5 CDBEHM Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc([O-])c2F)n1 ZINC001631889463 1166311885 /nfs/dbraw/zinc/31/18/85/1166311885.db2.gz FKUIQUKYZGHIQM-UHFFFAOYSA-N -1 3 280.215 1.425 10 5 CDBEHM CC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)c1[O-] ZINC001636953464 1166711143 /nfs/dbraw/zinc/71/11/43/1166711143.db2.gz UOZJOGKFRABORK-UHFFFAOYSA-N -1 3 290.235 1.478 10 5 CDBEHM Cc1nocc1[N-]C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC001639580215 1166952053 /nfs/dbraw/zinc/95/20/53/1166952053.db2.gz NWGJOZHQFOFHAI-UHFFFAOYSA-N -1 3 262.225 1.726 10 5 CDBEHM O=c1[n-]ccc(N[C@@H]2Cc3cccc(O)c3C2)c1[N+](=O)[O-] ZINC001651744795 1171355111 /nfs/dbraw/zinc/35/51/11/1171355111.db2.gz WFEOWCXDYRFVQZ-SECBINFHSA-N -1 3 287.275 1.980 10 5 CDBEHM Cc1n[n-]c(C)c1S(=O)(=O)Oc1cccnc1[N+](=O)[O-] ZINC000010237808 828768947 /nfs/dbraw/zinc/76/89/47/828768947.db2.gz 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/nfs/dbraw/zinc/54/89/38/342548938.db2.gz IXYMUYZHJWFCGD-UHFFFAOYSA-N -1 3 278.355 1.899 10 5 CDBEHM CCC[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593524279 342811777 /nfs/dbraw/zinc/81/17/77/342811777.db2.gz BTWRZTJMMFWMMG-MRVPVSSYSA-N -1 3 273.314 1.457 10 5 CDBEHM CO[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC[C@@H]1C ZINC000596204804 343265266 /nfs/dbraw/zinc/26/52/66/343265266.db2.gz YLXAPIKGRZXFLH-WCBMZHEXSA-N -1 3 267.285 1.557 10 5 CDBEHM Cc1cccc([O-])c1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000352641895 155320989 /nfs/dbraw/zinc/32/09/89/155320989.db2.gz AMOIFCVPNJXBAF-UHFFFAOYSA-N -1 3 276.252 1.595 10 5 CDBEHM NNc1ccc([N+](=O)[O-])c(C(=O)[N-]c2cnoc2)c1 ZINC000061686055 527282636 /nfs/dbraw/zinc/28/26/36/527282636.db2.gz DZJVBPURVOLBNH-UHFFFAOYSA-N -1 3 263.213 1.121 10 5 CDBEHM Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(F)(F)F ZINC000050634339 527461427 /nfs/dbraw/zinc/46/14/27/527461427.db2.gz NAGJVICDRLRJJY-UHFFFAOYSA-N -1 3 299.230 1.018 10 5 CDBEHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1ccc([N+](=O)[O-])o1)C2 ZINC001648019119 1169090171 /nfs/dbraw/zinc/09/01/71/1169090171.db2.gz LOCASAMIKDVMOV-UHFFFAOYSA-N -1 3 290.235 1.148 10 5 CDBEHM COC(OC)[C@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853681034 832518455 /nfs/dbraw/zinc/51/84/55/832518455.db2.gz OCIQJEPBLKYMMV-LURJTMIESA-N -1 3 257.246 1.115 10 5 CDBEHM O=[N+]([O-])c1ccc(F)cc1CN1CC[C@@H](c2nnn[n-]2)C1 ZINC001473750807 969838818 /nfs/dbraw/zinc/83/88/18/969838818.db2.gz QIUKUODUYSPWCM-MRVPVSSYSA-N -1 3 292.274 1.237 10 5 CDBEHM O=[N+]([O-])c1ccc(F)cc1CN1CC[C@@H](c2nn[n-]n2)C1 ZINC001473750807 969838826 /nfs/dbraw/zinc/83/88/26/969838826.db2.gz QIUKUODUYSPWCM-MRVPVSSYSA-N -1 3 292.274 1.237 10 5 CDBEHM Cn1cc([N+](=O)[O-])c([N-]c2cnn(-c3ccccn3)c2)n1 ZINC001472704335 970688169 /nfs/dbraw/zinc/68/81/69/970688169.db2.gz XZOITNBJUWFKEH-UHFFFAOYSA-N -1 3 285.267 1.653 10 5 CDBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(C3CCC3)CC2)nc1 ZINC000593645328 342821885 /nfs/dbraw/zinc/82/18/85/342821885.db2.gz 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237122651 /nfs/dbraw/zinc/12/26/51/237122651.db2.gz ODFRCHTYUYVFPK-UHFFFAOYSA-N -1 3 277.240 1.282 10 5 CDBEHM COc1n[n-]c(NC(=O)c2cccc(C)c2[N+](=O)[O-])n1 ZINC000158171320 237122658 /nfs/dbraw/zinc/12/26/58/237122658.db2.gz ODFRCHTYUYVFPK-UHFFFAOYSA-N -1 3 277.240 1.282 10 5 CDBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccsc2)n1 ZINC000344587431 365002321 /nfs/dbraw/zinc/00/23/21/365002321.db2.gz GXWXYOMTXAHERI-UHFFFAOYSA-N -1 3 252.255 1.642 10 5 CDBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(C)cs2)n1 ZINC000191452063 373491841 /nfs/dbraw/zinc/49/18/41/373491841.db2.gz OQOCMVSBVAHGTK-UHFFFAOYSA-N -1 3 281.297 1.828 10 5 CDBEHM O=C([N-]c1cc(C(F)(F)F)[nH]n1)c1n[nH]cc1[N+](=O)[O-] ZINC000344217940 379326871 /nfs/dbraw/zinc/32/68/71/379326871.db2.gz CWTNMNRYLOKVQA-UHFFFAOYSA-N -1 3 290.161 1.312 10 5 CDBEHM Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ncccc1[O-] ZINC000352515908 155242764 /nfs/dbraw/zinc/24/27/64/155242764.db2.gz ITYBMEPHOSSGJO-UHFFFAOYSA-N -1 3 288.263 1.329 10 5 CDBEHM 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343241127 /nfs/dbraw/zinc/24/11/27/343241127.db2.gz DOKPQFIHGVXTJU-IONNQARKSA-N -1 3 253.258 1.268 10 5 CDBEHM O=[N+]([O-])c1ccc([O-])cc1CN1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599639142 344110843 /nfs/dbraw/zinc/11/08/43/344110843.db2.gz ZJSUNBDAXBFLMS-SWLSCSKDSA-N -1 3 292.335 1.895 10 5 CDBEHM Cc1cc(NC(=O)[C@@H](N)CCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000085843385 179186337 /nfs/dbraw/zinc/18/63/37/179186337.db2.gz ZZKJQHOZPGGYCL-VIFPVBQESA-N -1 3 281.268 1.034 10 5 CDBEHM CCN1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000185324062 378653313 /nfs/dbraw/zinc/65/33/13/378653313.db2.gz PFENUCMAFLATNH-JTQLQIEISA-N -1 3 293.323 1.515 10 5 CDBEHM COC(=O)CCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596092418 392622670 /nfs/dbraw/zinc/62/26/70/392622670.db2.gz ATPCTMPASILHOO-UHFFFAOYSA-N -1 3 269.257 1.451 10 5 CDBEHM O=[N+]([O-])c1c([N-]c2cccnc2)ncnc1-n1ccnc1 ZINC000040628630 174357413 /nfs/dbraw/zinc/35/74/13/174357413.db2.gz SJIRHLMJFVWWCI-UHFFFAOYSA-N -1 3 283.251 1.709 10 5 CDBEHM CN(C)Cc1csc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])n1 ZINC001625985228 1160682096 /nfs/dbraw/zinc/68/20/96/1160682096.db2.gz CFZDMMQGVBBRIJ-UHFFFAOYSA-N -1 3 296.312 1.088 10 5 CDBEHM Cn1nnnc1Sc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001649212718 1165989561 /nfs/dbraw/zinc/98/95/61/1165989561.db2.gz URORHVCBSVHLCB-UHFFFAOYSA-N -1 3 277.269 1.146 10 5 CDBEHM O=C(Nc1ncccc1[O-])[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001633852461 1166454582 /nfs/dbraw/zinc/45/45/82/1166454582.db2.gz NUBWYWLDYQEOAZ-NSHDSACASA-N -1 3 289.247 1.368 10 5 CDBEHM Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])n[nH]2)c([O-])c1C ZINC001645305807 1167389081 /nfs/dbraw/zinc/38/90/81/1167389081.db2.gz WXQHBOBUZCCQHB-UHFFFAOYSA-N -1 3 276.252 1.893 10 5 CDBEHM Cc1cc(=O)[n-]c(CNc2c(Cl)cncc2[N+](=O)[O-])n1 ZINC001651202257 1171301943 /nfs/dbraw/zinc/30/19/43/1171301943.db2.gz BEMUAEBIWWCXEW-UHFFFAOYSA-N -1 3 295.686 1.481 10 5 CDBEHM O=c1[n-]ccc(NC[C@@H](O)c2cncs2)c1[N+](=O)[O-] ZINC001652225309 1171408243 /nfs/dbraw/zinc/40/82/43/1171408243.db2.gz IBUOYQKHGNBCRJ-SSDOTTSWSA-N -1 3 282.281 1.297 10 5 CDBEHM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1ncn(C(C)C)n1 ZINC000593229287 342777291 /nfs/dbraw/zinc/77/72/91/342777291.db2.gz GETZDUFISRDXCF-UHFFFAOYSA-N -1 3 290.283 1.723 10 5 CDBEHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C1CCC1 ZINC000593566067 342813096 /nfs/dbraw/zinc/81/30/96/342813096.db2.gz GHNWZNOKPBEULG-QMMMGPOBSA-N -1 3 285.325 1.457 10 5 CDBEHM O=c1[n-]ccc(N2CC[C@@H]3COC[C@@H]3C2)c1[N+](=O)[O-] ZINC000596531853 343336291 /nfs/dbraw/zinc/33/62/91/343336291.db2.gz XTIOGJCEOFEDJT-BDAKNGLRSA-N -1 3 265.269 1.168 10 5 CDBEHM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCN2CCC[C@@H]2C1 ZINC000185455357 357545776 /nfs/dbraw/zinc/54/57/76/357545776.db2.gz DVAXPBZKAGIYDK-LLVKDONJSA-N -1 3 291.307 1.221 10 5 CDBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(C(C)(C)C)co2)n1 ZINC000566982153 358613596 /nfs/dbraw/zinc/61/35/96/358613596.db2.gz RQVVRDJLKXMNSC-UHFFFAOYSA-N -1 3 293.283 1.866 10 5 CDBEHM COc1cccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])c1[O-] ZINC000352918227 375552823 /nfs/dbraw/zinc/55/28/23/375552823.db2.gz WGKGWSCEELGVKI-UHFFFAOYSA-N -1 3 292.251 1.295 10 5 CDBEHM O=C(NCc1ncccc1[O-])c1cc(F)cc([N+](=O)[O-])c1 ZINC000352510332 155237646 /nfs/dbraw/zinc/23/76/46/155237646.db2.gz SPZGGGAGPGPYEV-UHFFFAOYSA-N -1 3 291.238 1.765 10 5 CDBEHM NNc1ncnc([N-]c2cc(F)ccc2F)c1[N+](=O)[O-] ZINC000040656797 174365456 /nfs/dbraw/zinc/36/54/56/174365456.db2.gz FVFWJTNSDDWCBA-UHFFFAOYSA-N -1 3 282.210 1.692 10 5 CDBEHM CCN1CCC[C@H]1CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000233483990 276379170 /nfs/dbraw/zinc/37/91/70/276379170.db2.gz DSFGVXPVQFWNDF-JTQLQIEISA-N -1 3 293.323 1.515 10 5 CDBEHM CC(C)(C)C[N-]S(=O)(=O)c1cc(N)ccc1[N+](=O)[O-] ZINC000050669725 518671032 /nfs/dbraw/zinc/67/10/32/518671032.db2.gz SGXBSMRHQPNUSW-UHFFFAOYSA-N -1 3 287.341 1.501 10 5 CDBEHM CNc1ccc([N+](=O)[O-])c(C(=O)[N-]c2cnoc2)c1 ZINC000061685980 522642335 /nfs/dbraw/zinc/64/23/35/522642335.db2.gz AEFQMVNQAXADFO-UHFFFAOYSA-N -1 3 262.225 1.877 10 5 CDBEHM COc1cc(CN[C@@H]2CC23CC3)c([N+](=O)[O-])cc1[O-] ZINC000424183580 536807181 /nfs/dbraw/zinc/80/71/81/536807181.db2.gz JUOHUEUXJKUWSI-GFCCVEGCSA-N -1 3 264.281 1.951 10 5 CDBEHM C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCN1C ZINC000928432531 619045791 /nfs/dbraw/zinc/04/57/91/619045791.db2.gz FQNXQRQBPXTXOK-KWQFWETISA-N -1 3 279.296 1.123 10 5 CDBEHM O=c1cc([C@H]2CCN(c3ccc([N+](=O)[O-])nc3)C2)[n-][nH]1 ZINC001458466713 1167741584 /nfs/dbraw/zinc/74/15/84/1167741584.db2.gz CRUJYOHCOGTKHK-QMMMGPOBSA-N -1 3 275.268 1.412 10 5 CDBEHM Cn1cc(CSc2cc[n-]c(=O)c2[N+](=O)[O-])cn1 ZINC001652019929 1171387928 /nfs/dbraw/zinc/38/79/28/1171387928.db2.gz OVAMVXTURXTNKP-UHFFFAOYSA-N -1 3 266.282 1.721 10 5 CDBEHM O=c1[n-]ccc(N2CC[C@H]3CSC[C@@H]3C2)c1[N+](=O)[O-] ZINC000866202400 698741452 /nfs/dbraw/zinc/74/14/52/698741452.db2.gz UJIZGUKCHKASIT-IUCAKERBSA-N -1 3 281.337 1.885 10 5 CDBEHM O=c1cc([C@H]2CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])C2)[n-][nH]1 ZINC001559227492 965417153 /nfs/dbraw/zinc/41/71/53/965417153.db2.gz RQIKQCIMJVEPPF-ZETCQYMHSA-N -1 3 291.267 1.118 10 5 CDBEHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cn(C2CC2)nn1 ZINC001521909438 970376932 /nfs/dbraw/zinc/37/69/32/970376932.db2.gz COTSQWKXHJTELH-UHFFFAOYSA-N -1 3 291.242 1.913 10 5 CDBEHM CCOC(OCC)[C@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001651533429 1171332506 /nfs/dbraw/zinc/33/25/06/1171332506.db2.gz YJLZXTLJSNUVRQ-QMMMGPOBSA-N -1 3 285.300 1.895 10 5 CDBEHM CC(C)C[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593566393 342813218 /nfs/dbraw/zinc/81/32/18/342813218.db2.gz GFTRDBHJITVJTJ-SECBINFHSA-N -1 3 287.341 1.703 10 5 CDBEHM C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593593013 342815031 /nfs/dbraw/zinc/81/50/31/342815031.db2.gz ZZVZVRVDJNWOJK-NXEZZACHSA-N -1 3 299.352 1.704 10 5 CDBEHM O=c1[n-]ccc(NCC[C@H]2CCCOC2)c1[N+](=O)[O-] ZINC000599116714 343962263 /nfs/dbraw/zinc/96/22/63/343962263.db2.gz LKZVWUKGHKOVLI-SECBINFHSA-N -1 3 267.285 1.924 10 5 CDBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(F)ccc2F)n1 ZINC000344609713 366037947 /nfs/dbraw/zinc/03/79/47/366037947.db2.gz ASONLNXJBWNERE-UHFFFAOYSA-N -1 3 282.206 1.859 10 5 CDBEHM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCN2CCC[C@H]2C1 ZINC000185455378 357545875 /nfs/dbraw/zinc/54/58/75/357545875.db2.gz DVAXPBZKAGIYDK-NSHDSACASA-N -1 3 291.307 1.221 10 5 CDBEHM NC(=O)c1cc([N+](=O)[O-])cnc1[N-]c1cnn(C(F)F)c1 ZINC000361670383 358423778 /nfs/dbraw/zinc/42/37/78/358423778.db2.gz PBUNFSGOOBQSIJ-UHFFFAOYSA-N -1 3 298.209 1.424 10 5 CDBEHM CCN1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000389998340 366907881 /nfs/dbraw/zinc/90/78/81/366907881.db2.gz OXPVNJVZPGXURF-VIFPVBQESA-N -1 3 279.296 1.124 10 5 CDBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CC=CC1 ZINC000132233319 375422607 /nfs/dbraw/zinc/42/26/07/375422607.db2.gz FTODDYPXWGBLPF-UHFFFAOYSA-N -1 3 298.320 1.600 10 5 CDBEHM O=c1[n-]c(Cc2ccc([N+](=O)[O-])cn2)nc2cccnc12 ZINC000491849052 253103686 /nfs/dbraw/zinc/10/36/86/253103686.db2.gz KJVMSSYCPMYPET-UHFFFAOYSA-N -1 3 283.247 1.624 10 5 CDBEHM Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ncccc1[O-] ZINC000352511768 155239618 /nfs/dbraw/zinc/23/96/18/155239618.db2.gz ZCRAOAVCGOIEEU-UHFFFAOYSA-N -1 3 287.275 1.934 10 5 CDBEHM CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000037022401 172886608 /nfs/dbraw/zinc/88/66/08/172886608.db2.gz SNMHMJTXSMPZAG-UHFFFAOYSA-N -1 3 274.298 1.292 10 5 CDBEHM NN=c1nc[n-]c(Nc2cccc3cccnc32)c1[N+](=O)[O-] ZINC000040626293 174356243 /nfs/dbraw/zinc/35/62/43/174356243.db2.gz XWWGRWMSRLZTLN-UHFFFAOYSA-N -1 3 297.278 1.962 10 5 CDBEHM CC(=O)c1ccc(Nc2[n-]cnc(=NN)c2[N+](=O)[O-])cc1 ZINC000040649682 174364809 /nfs/dbraw/zinc/36/48/09/174364809.db2.gz MVXVWLBUJVOIPL-UHFFFAOYSA-N -1 3 288.267 1.617 10 5 CDBEHM CC(C)NCc1cc([N+](=O)[O-])ccc1O[C@@H](C)C(=O)[O-] ZINC000043625134 175081277 /nfs/dbraw/zinc/08/12/77/175081277.db2.gz KVICSXXLMZEKQN-VIFPVBQESA-N -1 3 282.296 1.945 10 5 CDBEHM Cc1nc([N-]C(=O)c2c[nH]nc2[N+](=O)[O-])cs1 ZINC000583393770 325168103 /nfs/dbraw/zinc/16/81/03/325168103.db2.gz VXGAOCAZCQFFEH-UHFFFAOYSA-N -1 3 253.243 1.335 10 5 CDBEHM CC[N-]S(=O)(=O)c1c(F)cc([N+](=O)[O-])cc1NCC ZINC000050638204 520278135 /nfs/dbraw/zinc/27/81/35/520278135.db2.gz UJOVZTNXUGEUKU-UHFFFAOYSA-N -1 3 291.304 1.464 10 5 CDBEHM Cc1c([N+](=O)[O-])cccc1N1CCN([C@@H](C)C(=O)[O-])CC1 ZINC000062723563 525930427 /nfs/dbraw/zinc/93/04/27/525930427.db2.gz RXOSQEKBGMTHQD-NSHDSACASA-N -1 3 293.323 1.498 10 5 CDBEHM CC(C)[C@H](CO)O[N-]C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001641317794 1167097069 /nfs/dbraw/zinc/09/70/69/1167097069.db2.gz JNBGSPZBJBOMHJ-JTQLQIEISA-N -1 3 286.259 1.412 10 5 CDBEHM COc1nn(C)cc1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001655938075 1171746521 /nfs/dbraw/zinc/74/65/21/1171746521.db2.gz SHHRAYFRGDQRGU-UHFFFAOYSA-N -1 3 279.256 1.050 10 5 CDBEHM COc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[n-]1 ZINC000226559892 706197062 /nfs/dbraw/zinc/19/70/62/706197062.db2.gz AFAYBTKXVOGHBX-UHFFFAOYSA-N -1 3 297.658 1.627 10 5 CDBEHM COc1nc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)n[n-]1 ZINC000226559892 706197064 /nfs/dbraw/zinc/19/70/64/706197064.db2.gz AFAYBTKXVOGHBX-UHFFFAOYSA-N -1 3 297.658 1.627 10 5 CDBEHM COc1n[n-]c(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)n1 ZINC000226559892 706197065 /nfs/dbraw/zinc/19/70/65/706197065.db2.gz AFAYBTKXVOGHBX-UHFFFAOYSA-N -1 3 297.658 1.627 10 5 CDBEHM O=[N+]([O-])CCN1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000931517237 710862484 /nfs/dbraw/zinc/86/24/84/710862484.db2.gz DQBWNUTYAOYXEL-UHFFFAOYSA-N -1 3 299.758 1.440 10 5 CDBEHM C[C@@H]1[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCN1C ZINC000928438870 711796591 /nfs/dbraw/zinc/79/65/91/711796591.db2.gz MZLBBUVQMGSMJQ-SCZZXKLOSA-N -1 3 279.296 1.123 10 5 CDBEHM CCc1cc(C(=O)[N-]c2c([N+](=O)[O-])ncn2C)no1 ZINC001436242515 962151960 /nfs/dbraw/zinc/15/19/60/962151960.db2.gz VCFZTHCYJOGQPX-UHFFFAOYSA-N -1 3 265.229 1.131 10 5 CDBEHM O=c1cc2[nH][n-]c(Br)c-2c([N+](=O)[O-])c1 ZINC000042689545 342000316 /nfs/dbraw/zinc/00/03/16/342000316.db2.gz SNFJFZLVOBRRJW-UHFFFAOYSA-N -1 3 258.031 1.939 10 5 CDBEHM Cc1noc(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])n1 ZINC000596096898 343235230 /nfs/dbraw/zinc/23/52/30/343235230.db2.gz LCNRZJLMQSJKDM-UHFFFAOYSA-N -1 3 265.229 1.041 10 5 CDBEHM COC1CC(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596308707 343294050 /nfs/dbraw/zinc/29/40/50/343294050.db2.gz LMHHUZGQROURBZ-UHFFFAOYSA-N -1 3 267.285 1.922 10 5 CDBEHM O=c1[n-]ccc(N2C[C@@H]3CC[C@H](O)C[C@H]3C2)c1[N+](=O)[O-] ZINC000596273203 343294322 /nfs/dbraw/zinc/29/43/22/343294322.db2.gz FXQSRFDMLGEGBC-GUBZILKMSA-N -1 3 279.296 1.293 10 5 CDBEHM CC1CC(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000598623883 343847013 /nfs/dbraw/zinc/84/70/13/343847013.db2.gz TVRAHZBJCADSKS-UHFFFAOYSA-N -1 3 285.325 1.314 10 5 CDBEHM O=c1[n-]ccc(N2CC3(C2)CCCO3)c1[N+](=O)[O-] ZINC000599144958 343967073 /nfs/dbraw/zinc/96/70/73/343967073.db2.gz WUBLSDJDJLXDOT-UHFFFAOYSA-N -1 3 251.242 1.065 10 5 CDBEHM COCc1nc(Sc2ccncc2[N+](=O)[O-])n[n-]1 ZINC000361059153 368619516 /nfs/dbraw/zinc/61/95/16/368619516.db2.gz FFTKENLLVLBSEV-UHFFFAOYSA-N -1 3 267.270 1.406 10 5 CDBEHM CN(Cc1cc([O-])ccc1[N+](=O)[O-])C[C@H]1CCCN1C ZINC000421003855 392926015 /nfs/dbraw/zinc/92/60/15/392926015.db2.gz SEMWVODIOQNRBB-GFCCVEGCSA-N -1 3 279.340 1.826 10 5 CDBEHM O=C(Cc1cccc([N+](=O)[O-])c1)NCc1ncccc1[O-] ZINC000352501250 155230729 /nfs/dbraw/zinc/23/07/29/155230729.db2.gz NASFHZPFJIDWPV-UHFFFAOYSA-N -1 3 287.275 1.554 10 5 CDBEHM CCNCc1cc([N+](=O)[O-])ccc1O[C@@H](C)C(=O)[O-] ZINC000043625116 175081219 /nfs/dbraw/zinc/08/12/19/175081219.db2.gz TYTMQBBWYVATDT-QMMMGPOBSA-N -1 3 268.269 1.556 10 5 CDBEHM CC(C)[C@H](NCc1ccc([N+](=O)[O-])s1)C(=O)[O-] ZINC000077253840 177243456 /nfs/dbraw/zinc/24/34/56/177243456.db2.gz UHEUFVZBMJKGPA-VIFPVBQESA-N -1 3 258.299 1.855 10 5 CDBEHM Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc([O-])cc1Cl ZINC001629192142 1166121272 /nfs/dbraw/zinc/12/12/72/1166121272.db2.gz OPTIRRXHCLZSKA-UHFFFAOYSA-N -1 3 296.670 1.940 10 5 CDBEHM O=c1[n-]ccc(N[C@H]2Cc3cccc(O)c3C2)c1[N+](=O)[O-] ZINC001651744802 1171355713 /nfs/dbraw/zinc/35/57/13/1171355713.db2.gz WFEOWCXDYRFVQZ-VIFPVBQESA-N -1 3 287.275 1.980 10 5 CDBEHM Cn1cnc([N+](=O)[O-])c1[N-]C(=O)c1cc(C(C)(C)C)on1 ZINC001272506242 913318240 /nfs/dbraw/zinc/31/82/40/913318240.db2.gz LDZDVIPPOKFHTI-UHFFFAOYSA-N -1 3 293.283 1.866 10 5 CDBEHM O=c1[n-]ccc(NC[C@H](O)c2ccccc2F)c1[N+](=O)[O-] ZINC001458080925 969258290 /nfs/dbraw/zinc/25/82/90/969258290.db2.gz YKISTSPNIMMULQ-NSHDSACASA-N -1 3 293.254 1.980 10 5 CDBEHM O=C(Nc1cnc2ccccn21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001469898048 970277256 /nfs/dbraw/zinc/27/72/56/970277256.db2.gz KSNPQOSMVCNVAA-UHFFFAOYSA-N -1 3 299.246 1.595 10 5 CDBEHM CN(C)c1nnc(Sc2cc[n-]c(=O)c2[N+](=O)[O-])s1 ZINC001472693472 970686528 /nfs/dbraw/zinc/68/65/28/970686528.db2.gz BNJDAYUUVZBXIT-UHFFFAOYSA-N -1 3 299.337 1.764 10 5 CDBEHM CN1C[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)[C@@H]2C1 ZINC000590444436 342546368 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