smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1nc(C=Cc2csc(Cl)c2Cl)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352013232 165192713 /nfs/dbraw/zinc/19/27/13/165192713.db2.gz HZDDYUXYRHPTOU-UPHRSURJSA-N -2 3 334.140 3.335 20 5 EGBDHL C[C@H]1CC[C@@H](COc2cc3c([O-])c4c(=O)cccc-4oc3cc2[O-])O1 ZINC001227307163 1375418314 /nfs/dbraw/zinc/41/83/14/1375418314.db2.gz SANURAGSZWMWQS-QWRGUYRKSA-N -2 3 342.347 3.304 20 5 EGBDHL Cc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1Cl ZINC000021363278 212222317 /nfs/dbraw/zinc/22/23/17/212222317.db2.gz OABMSGNRBGNFQZ-UHFFFAOYSA-N -2 3 342.760 3.063 20 5 EGBDHL C/C=C\c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc1 ZINC000588853603 459993173 /nfs/dbraw/zinc/99/31/73/459993173.db2.gz ZIUAQEBFUWOGOP-ARJAWSKDSA-N -2 3 348.380 3.443 20 5 EGBDHL O=[N+]([O-])c1c([O-])cc([O-])cc1O[C@@H]1CCCN(c2ccccc2)C1 ZINC001228971589 1375728092 /nfs/dbraw/zinc/72/80/92/1375728092.db2.gz QMYHCAQNWYYGEE-CQSZACIVSA-N -2 3 330.340 3.054 20 5 EGBDHL O=c1nc(C=Cc2cccc(OC3CCCC3)c2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352028073 165198401 /nfs/dbraw/zinc/19/84/01/165198401.db2.gz SGCMMSJWQGPVDL-HJWRWDBZSA-N -2 3 343.339 3.288 20 5 EGBDHL CC(C)c1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000024101042 453726163 /nfs/dbraw/zinc/72/61/63/453726163.db2.gz UVIDEFVOVNFLOY-UHFFFAOYSA-N -2 3 336.369 3.225 20 5 EGBDHL O=c1ccc(O)c2oc3cc([O-])cc(OC4CCCC4)c3c([O-])c1-2 ZINC001234125241 1376770984 /nfs/dbraw/zinc/77/09/84/1376770984.db2.gz PKKUZHPHKYKYOZ-UHFFFAOYSA-N -2 3 328.320 3.384 20 5 EGBDHL O=C([N-]c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1coc(C2CCC2)n1 ZINC000192847743 455705928 /nfs/dbraw/zinc/70/59/28/455705928.db2.gz BCGFXOHNJPVYQD-UHFFFAOYSA-N -2 3 337.719 3.462 20 5 EGBDHL O=c1nc(C=Cc2ccc(-c3ccccc3F)o2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352015353 457331408 /nfs/dbraw/zinc/33/14/08/457331408.db2.gz XXNMVWHZRKIDRF-FNORWQNLSA-N -2 3 343.270 3.366 20 5 EGBDHL C[C@@H]1COCC[C@H]1Oc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-] ZINC001227311259 1375419209 /nfs/dbraw/zinc/41/92/09/1375419209.db2.gz ZDDRCAKBLXOLSB-QMTHXVAHSA-N -2 3 342.347 3.161 20 5 EGBDHL CC(C)(C)c1cc(C(=O)[N-]c2cc(Cl)cc([N+](=O)[O-])c2[O-])no1 ZINC000436898583 458402784 /nfs/dbraw/zinc/40/27/84/458402784.db2.gz YWLJXHSPMLBZLL-UHFFFAOYSA-N -2 3 339.735 3.492 20 5 EGBDHL O=C([O-])c1cc(Nc2cnc3cccc([O-])c3c2)cc([N+](=O)[O-])c1 ZINC001176673346 1385654655 /nfs/dbraw/zinc/65/46/55/1385654655.db2.gz WYLLUBVTTILOQU-UHFFFAOYSA-N -2 3 325.280 3.290 20 5 EGBDHL O=C([N-]c1cc([N+](=O)[O-])ccc1[O-])c1ncsc1C(F)(F)F ZINC000433382709 309687862 /nfs/dbraw/zinc/68/78/62/309687862.db2.gz PNOWWXCRXRJHIX-UHFFFAOYSA-N -2 3 333.247 3.028 20 5 EGBDHL CCOc1cc(-c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)ccc1[O-] ZINC000445428108 458048671 /nfs/dbraw/zinc/04/86/71/458048671.db2.gz SKTGJHPDEQTHGG-UHFFFAOYSA-N -2 3 343.295 3.122 20 5 EGBDHL COc1cc(CNc2cc(C(=O)[O-])c(C)cc2C)c([N+](=O)[O-])cc1[O-] ZINC000340681109 456619859 /nfs/dbraw/zinc/61/98/59/456619859.db2.gz PIAXGVWVAMEFBO-UHFFFAOYSA-N -2 3 346.339 3.236 20 5 EGBDHL O=c1nc(C=Cc2csc(-c3ccsc3)n2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352026206 165197111 /nfs/dbraw/zinc/19/71/11/165197111.db2.gz JQPJRXLPBMFUAX-UPHRSURJSA-N -2 3 348.365 3.151 20 5 EGBDHL O=c1cccc2oc3cc([O-])c(OC[C@H]4CCC=CO4)cc3c([O-])c1-2 ZINC001227306129 1375418128 /nfs/dbraw/zinc/41/81/28/1375418128.db2.gz GFROYLXDCOXKKM-LLVKDONJSA-N -2 3 340.331 3.429 20 5 EGBDHL CC[C@@H](COC)Oc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-] ZINC001227306418 1375418457 /nfs/dbraw/zinc/41/84/57/1375418457.db2.gz JWPCERAPJKXSIF-JTQLQIEISA-N -2 3 330.336 3.161 20 5 EGBDHL O=[N+]([O-])c1c([O-])cc([O-])cc1OC1CCN(c2ccccc2)CC1 ZINC001228969797 1375726422 /nfs/dbraw/zinc/72/64/22/1375726422.db2.gz CRLLAWRVFOBUEM-UHFFFAOYSA-N -2 3 330.340 3.054 20 5 EGBDHL C[C@@H](Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12)C1CC1 ZINC001234120693 1376770168 /nfs/dbraw/zinc/77/01/68/1376770168.db2.gz VGKRMCOCQDDUCB-MRVPVSSYSA-N -2 3 328.320 3.240 20 5 EGBDHL O=C(Nc1ccc(Cl)cc1[O-])c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000339007530 284301586 /nfs/dbraw/zinc/30/15/86/284301586.db2.gz PXRVAYLAOLOLMB-UHFFFAOYSA-N -2 3 332.703 3.082 20 5 EGBDHL CC(C)(C)c1cc(C(=O)[O-])c([N-]C(=O)c2ccc([N+](=O)[O-])o2)s1 ZINC000736293734 575928579 /nfs/dbraw/zinc/92/85/79/575928579.db2.gz GFFSGRGKIMWGQE-UHFFFAOYSA-N -2 3 338.341 3.497 20 5 EGBDHL O=[N+]([O-])c1c([O-])cc([O-])cc1O[C@H]1CCCN(c2ccccc2)C1 ZINC001228971588 1375728537 /nfs/dbraw/zinc/72/85/37/1375728537.db2.gz QMYHCAQNWYYGEE-AWEZNQCLSA-N -2 3 330.340 3.054 20 5 EGBDHL O=c1ccc(O)c2oc3cc([O-])cc(O[C@H]4C=CCC4)c3c([O-])c1-2 ZINC001234123608 1376770718 /nfs/dbraw/zinc/77/07/18/1376770718.db2.gz DRMITJBYCIZEIP-JTQLQIEISA-N -2 3 326.304 3.160 20 5 EGBDHL C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])c2c([O-])cccc21 ZINC000187547617 265608776 /nfs/dbraw/zinc/60/87/76/265608776.db2.gz JNBUBGWDGIORSX-SNVBAGLBSA-N -2 3 328.324 3.160 20 5 EGBDHL O=C([N-]c1cc([N+](=O)[O-])ccc1[O-])c1cc(-c2cccc(F)c2)no1 ZINC000539971439 314354280 /nfs/dbraw/zinc/35/42/80/314354280.db2.gz WDBWIEIRILUDMB-UHFFFAOYSA-N -2 3 343.270 3.347 20 5 EGBDHL CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000024101098 453725504 /nfs/dbraw/zinc/72/55/04/453725504.db2.gz KSMQKTOASWQGFJ-UHFFFAOYSA-N -2 3 336.369 3.225 20 5 EGBDHL O=C([N-]c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1noc2c1CCCC2 ZINC000272132580 455854441 /nfs/dbraw/zinc/85/44/41/455854441.db2.gz SKIFZWXPJFLZPK-UHFFFAOYSA-N -2 3 337.719 3.073 20 5 EGBDHL O=C([O-])c1ccc(Nc2cnc3cccc([O-])c3c2)cc1[N+](=O)[O-] ZINC001174504020 1385114590 /nfs/dbraw/zinc/11/45/90/1385114590.db2.gz TZJRHLHUPIXIQF-UHFFFAOYSA-N -2 3 325.280 3.290 20 5 EGBDHL O=c1nc(C=Cc2ccc(F)c(Cl)c2Cl)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352013043 165192265 /nfs/dbraw/zinc/19/22/65/165192265.db2.gz GOVAGNAVEIPXLX-RQOWECAXSA-N -2 3 346.101 3.412 20 5 EGBDHL O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cn[n-]c1-c1ccsc1 ZINC000188923556 456171301 /nfs/dbraw/zinc/17/13/01/456171301.db2.gz CFWVVRXHAJNDAF-UHFFFAOYSA-N -2 3 330.325 3.004 20 5 EGBDHL O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1c[n-]nc1-c1ccsc1 ZINC000188923556 456171309 /nfs/dbraw/zinc/17/13/09/456171309.db2.gz CFWVVRXHAJNDAF-UHFFFAOYSA-N -2 3 330.325 3.004 20 5 EGBDHL C/C=C/c1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000341065886 456812982 /nfs/dbraw/zinc/81/29/82/456812982.db2.gz OQNQISTXUHUHOF-NSCUHMNNSA-N -2 3 334.353 3.134 20 5 EGBDHL O=c1ccnc(C(=Cc2ccc([O-])c([N+](=O)[O-])c2)Cc2ccccc2)[n-]1 ZINC000436886491 458399820 /nfs/dbraw/zinc/39/98/20/458399820.db2.gz LFFYWNLDVVALCM-RVDMUPIBSA-N -2 3 349.346 3.167 20 5 EGBDHL C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])c2c([O-])cccc21 ZINC000186262962 455728431 /nfs/dbraw/zinc/72/84/31/455728431.db2.gz TUKYJNHPDKEVJS-SNVBAGLBSA-N -2 3 328.324 3.160 20 5 EGBDHL CCCc1cc(=O)[n-]c(C(=Cc2ccc([N+](=O)[O-])c([O-])c2)CC)n1 ZINC000193615914 240235910 /nfs/dbraw/zinc/23/59/10/240235910.db2.gz UNHNNUDICQIILK-WQLSENKSSA-N -2 3 329.356 3.287 20 5 EGBDHL O=C(CCCc1ccc([O-])c(F)c1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000345812547 456998982 /nfs/dbraw/zinc/99/89/82/456998982.db2.gz OFVMXZYLPYKJGL-UHFFFAOYSA-N -2 3 334.303 3.107 20 5 EGBDHL CC(C)c1cc(C(=O)[N-]c2cc(Cl)cc([N+](=O)[O-])c2[O-])on1 ZINC000436897279 458401532 /nfs/dbraw/zinc/40/15/32/458401532.db2.gz RQSAWZXNFWVHFP-UHFFFAOYSA-N -2 3 325.708 3.318 20 5 EGBDHL Cc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1C ZINC000158904315 455336240 /nfs/dbraw/zinc/33/62/40/455336240.db2.gz BCNVWQISSYSWII-UHFFFAOYSA-N -2 3 336.369 3.026 20 5 EGBDHL COc1ccc(OC)c([C@@H](C)Oc2cc([O-])cc([O-])c2[N+](=O)[O-])c1 ZINC001228973826 1375727840 /nfs/dbraw/zinc/72/78/40/1375727840.db2.gz NDUMMOKVXDOMEH-SECBINFHSA-N -2 3 335.312 3.163 20 5 EGBDHL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C2CC2)cc1 ZINC000611305111 460334213 /nfs/dbraw/zinc/33/42/13/460334213.db2.gz SLIHFXSBXPBMCY-UHFFFAOYSA-N -2 3 348.380 3.287 20 5 EGBDHL O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cc(-c2ccco2)[n-]n1 ZINC000351784092 144306107 /nfs/dbraw/zinc/30/61/07/144306107.db2.gz UQMWJBGPZKMWCE-UHFFFAOYSA-N -2 3 348.702 3.189 20 5 EGBDHL O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cc(-c2ccco2)n[n-]1 ZINC000351784092 144306109 /nfs/dbraw/zinc/30/61/09/144306109.db2.gz UQMWJBGPZKMWCE-UHFFFAOYSA-N -2 3 348.702 3.189 20 5 EGBDHL CCCc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000032098432 453865020 /nfs/dbraw/zinc/86/50/20/453865020.db2.gz VXOFCXIOOLBAFA-UHFFFAOYSA-N -2 3 336.369 3.054 20 5 EGBDHL COc1ccc([C@@H](C)Oc2cc([O-])cc([O-])c2[N+](=O)[O-])cc1OC ZINC001228974482 1375727862 /nfs/dbraw/zinc/72/78/62/1375727862.db2.gz SSTZRHOANFKSIM-SECBINFHSA-N -2 3 335.312 3.163 20 5 EGBDHL Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc1C ZINC000508209513 312090904 /nfs/dbraw/zinc/09/09/04/312090904.db2.gz CBZFPJOBEMOYLE-UHFFFAOYSA-N -2 3 336.369 3.026 20 5 EGBDHL O=C([N-]c1cc([N+](=O)[O-])ccc1[O-])c1c(F)c(F)cc(F)c1F ZINC000092546991 454585016 /nfs/dbraw/zinc/58/50/16/454585016.db2.gz IATHYBJVWNJTKP-UHFFFAOYSA-N -2 3 330.193 3.109 20 5 EGBDHL C/C=C/c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc1 ZINC000588853604 459993426 /nfs/dbraw/zinc/99/34/26/459993426.db2.gz ZIUAQEBFUWOGOP-ONEGZZNKSA-N -2 3 348.380 3.443 20 5 EGBDHL O=c1nc(C=Cc2ccc(F)c(Cl)c2Cl)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352013042 165192875 /nfs/dbraw/zinc/19/28/75/165192875.db2.gz GOVAGNAVEIPXLX-DUXPYHPUSA-N -2 3 346.101 3.412 20 5 EGBDHL CCCc1cc(=O)[n-]c(C(=Cc2cc([O-])ccc2[N+](=O)[O-])CC)n1 ZINC000193617144 240234601 /nfs/dbraw/zinc/23/46/01/240234601.db2.gz WOPLJCNWALTBEW-FLIBITNWSA-N -2 3 329.356 3.287 20 5 EGBDHL CCCc1cc(=O)[n-]c(C(=Cc2ccc([N+](=O)[O-])c([O-])c2)CC)n1 ZINC000435337213 309729229 /nfs/dbraw/zinc/72/92/29/309729229.db2.gz UNHNNUDICQIILK-XYOKQWHBSA-N -2 3 329.356 3.287 20 5 EGBDHL O=C([N-]c1cc([N+](=O)[O-])ccc1[O-])c1cc(-c2ccccc2)no1 ZINC000089531068 454160005 /nfs/dbraw/zinc/16/00/05/454160005.db2.gz YKVNOPCPTMQJHY-UHFFFAOYSA-N -2 3 325.280 3.208 20 5 EGBDHL CC(C)c1ccc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc1[N+](=O)[O-] ZINC000619864654 460455530 /nfs/dbraw/zinc/45/55/30/460455530.db2.gz PWQPNNHERXXDGD-XQRVVYSFSA-N -2 3 329.312 3.082 20 5 EGBDHL O=c1nc(C=Cc2cccc(OC3CCCC3)c2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000253630339 244042347 /nfs/dbraw/zinc/04/23/47/244042347.db2.gz SGCMMSJWQGPVDL-CMDGGOBGSA-N -2 3 343.339 3.288 20 5 EGBDHL O=c1nc(C=Cc2cc(F)cc(C(F)(F)F)c2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352025047 165196882 /nfs/dbraw/zinc/19/68/82/165196882.db2.gz BYFGGOKIBWDZLD-OWOJBTEDSA-N -2 3 345.208 3.124 20 5 EGBDHL O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3ccccc3c2)ccc1[O-] ZINC000021363290 1291198090 /nfs/dbraw/zinc/19/80/90/1291198090.db2.gz YTEKBJSQBWYOJK-UHFFFAOYSA-N -2 3 344.348 3.254 20 5 EGBDHL Cc1c(C(=O)[O-])sc2[n-]c(-c3ccc([N+](=O)[O-])s3)nc(=O)c12 ZINC000832853515 979050418 /nfs/dbraw/zinc/05/04/18/979050418.db2.gz ZDZNZPNYQQVSOL-UHFFFAOYSA-N -2 3 337.338 3.040 20 5 EGBDHL CCc1ccc(C(=O)[O-])cc1NCc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000556323378 315428305 /nfs/dbraw/zinc/42/83/05/315428305.db2.gz HZLGDORTTDEWNS-UHFFFAOYSA-N -2 3 346.339 3.182 20 5 EGBDHL Cc1ccc(-c2nc([N-]C(=O)c3ccc(Cl)cc3[N+](=O)[O-])n[n-]2)o1 ZINC000181886523 455395288 /nfs/dbraw/zinc/39/52/88/455395288.db2.gz LEXHMERNOOGYMU-UHFFFAOYSA-N -2 3 347.718 3.187 20 5 EGBDHL C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)c2c([O-])cccc21 ZINC000186256069 455726117 /nfs/dbraw/zinc/72/61/17/455726117.db2.gz LQGLMVUWKRZIAX-SNVBAGLBSA-N -2 3 328.324 3.160 20 5 EGBDHL C[C@H]1COCC[C@H]1Oc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-] ZINC001227311250 1375418883 /nfs/dbraw/zinc/41/88/83/1375418883.db2.gz ZDDRCAKBLXOLSB-IINYFYTJSA-N -2 3 342.347 3.161 20 5 EGBDHL O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1cc(F)c(F)c([O-])c1F ZINC000352184982 457346442 /nfs/dbraw/zinc/34/64/42/457346442.db2.gz YFOVWWPXYFNSRD-UHFFFAOYSA-N -2 3 330.193 3.109 20 5 EGBDHL Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000021363333 212222466 /nfs/dbraw/zinc/22/24/66/212222466.db2.gz SJJNRCDSHKTDBZ-UHFFFAOYSA-N -2 3 342.760 3.063 20 5 EGBDHL C[C@@H]1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)c2c([O-])cccc21 ZINC000358391113 277746649 /nfs/dbraw/zinc/74/66/49/277746649.db2.gz PTVVKQZEUUAYPT-SNVBAGLBSA-N -2 3 328.324 3.160 20 5 EGBDHL CCO[C@H](C)COc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-] ZINC001227310612 1375419109 /nfs/dbraw/zinc/41/91/09/1375419109.db2.gz VXUTYSPUVDZIBU-SNVBAGLBSA-N -2 3 330.336 3.161 20 5 EGBDHL O=c1nc(C=Cc2cnc(C3CCCCC3)s2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000574833346 459879940 /nfs/dbraw/zinc/87/99/40/459879940.db2.gz SRKQHDOUKVIMLW-SREVYHEPSA-N -2 3 348.384 3.471 20 5 EGBDHL C/C=C\c1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000341065883 163711606 /nfs/dbraw/zinc/71/16/06/163711606.db2.gz OQNQISTXUHUHOF-IHWYPQMZSA-N -2 3 334.353 3.134 20 5 EGBDHL O=c1nc(C=Cc2csc(-c3cccs3)n2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352022584 165194668 /nfs/dbraw/zinc/19/46/68/165194668.db2.gz ZVZPICFCLVYTBA-ONEGZZNKSA-N -2 3 348.365 3.151 20 5 EGBDHL O=c1nc(C=Cc2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352021832 165194707 /nfs/dbraw/zinc/19/47/07/165194707.db2.gz RLPYBFUMNHPXHU-UPHRSURJSA-N -2 3 328.111 3.273 20 5 EGBDHL CCOC[C@H](C)Oc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-] ZINC001227306784 1375418103 /nfs/dbraw/zinc/41/81/03/1375418103.db2.gz NHQBBLAZHTZPPB-JTQLQIEISA-N -2 3 330.336 3.161 20 5 EGBDHL O=c1nc(C=Cc2ccc(F)c(C(F)(F)F)c2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352029540 165198958 /nfs/dbraw/zinc/19/89/58/165198958.db2.gz ZZSAJLJTUJBFKS-RQOWECAXSA-N -2 3 345.208 3.124 20 5 EGBDHL O=c1nc(C=Cc2cc(Cl)ccc2Cl)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352029048 165198686 /nfs/dbraw/zinc/19/86/86/165198686.db2.gz XAGQSPKBLPHCIX-DAFODLJHSA-N -2 3 328.111 3.273 20 5 EGBDHL CC(C)c1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000024102226 453726033 /nfs/dbraw/zinc/72/60/33/453726033.db2.gz VOWHYXRWGMLJAX-UHFFFAOYSA-N -2 3 336.369 3.225 20 5 EGBDHL C[C@@H]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)c2c([O-])cccc21 ZINC000186297888 455736651 /nfs/dbraw/zinc/73/66/51/455736651.db2.gz OWVJYYNKAHIODP-SNVBAGLBSA-N -2 3 328.324 3.160 20 5 EGBDHL Cc1noc(C2CC2)c1[N-]C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000569849888 459521138 /nfs/dbraw/zinc/52/11/38/459521138.db2.gz GPHLULSWKQUOFU-UHFFFAOYSA-N -2 3 337.719 3.380 20 5 EGBDHL CC(C)[C@@H](C)Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12 ZINC001234124830 1376771683 /nfs/dbraw/zinc/77/16/83/1376771683.db2.gz LNULLJCKXKTAIU-SECBINFHSA-N -2 3 330.336 3.486 20 5 EGBDHL O=c1nc(C=Cc2cc(Cl)ccc2Cl)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352029049 165198286 /nfs/dbraw/zinc/19/82/86/165198286.db2.gz XAGQSPKBLPHCIX-RJRFIUFISA-N -2 3 328.111 3.273 20 5 EGBDHL C[C@H]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)c2c([O-])cccc21 ZINC000186297905 455737369 /nfs/dbraw/zinc/73/73/69/455737369.db2.gz OWVJYYNKAHIODP-JTQLQIEISA-N -2 3 328.324 3.160 20 5 EGBDHL O=[N+]([O-])c1c([O-])cc([O-])cc1O[C@H]1C[C@@H](OCc2ccccc2)C1 ZINC001228974424 1375728380 /nfs/dbraw/zinc/72/83/80/1375728380.db2.gz SECJOHAELDSGOQ-OKILXGFUSA-N -2 3 331.324 3.133 20 5 EGBDHL CO[C@H](C)CCOc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-] ZINC001227305901 1375418483 /nfs/dbraw/zinc/41/84/83/1375418483.db2.gz BUJMAMCJDGZSQU-SNVBAGLBSA-N -2 3 330.336 3.161 20 5 EGBDHL O=c1nc(C=Cc2csc(-c3ccsc3)n2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352026205 165196613 /nfs/dbraw/zinc/19/66/13/165196613.db2.gz JQPJRXLPBMFUAX-OWOJBTEDSA-N -2 3 348.365 3.151 20 5 EGBDHL O=c1ccnc(C(=Cc2ccc([N+](=O)[O-])c([O-])c2)Cc2ccccc2)[n-]1 ZINC000357403224 457498906 /nfs/dbraw/zinc/49/89/06/457498906.db2.gz UJZXAZYLXRXBKZ-PTNGSMBKSA-N -2 3 349.346 3.167 20 5 EGBDHL O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1ccc([N+](=O)[O-])c([O-])c1 ZINC000125351520 162269180 /nfs/dbraw/zinc/26/91/80/162269180.db2.gz WEHWCQNHFHTCDB-UHFFFAOYSA-N -2 3 342.229 3.277 20 5 EGBDHL O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356467440 457004408 /nfs/dbraw/zinc/00/44/08/457004408.db2.gz UTXAEBURXQRFET-UHFFFAOYSA-N -2 3 342.229 3.277 20 5 EGBDHL O=c1ccnc(C(=Cc2ccc([O-])c([N+](=O)[O-])c2)Cc2ccccc2)[n-]1 ZINC000436886489 458400441 /nfs/dbraw/zinc/40/04/41/458400441.db2.gz LFFYWNLDVVALCM-PTNGSMBKSA-N -2 3 349.346 3.167 20 5 EGBDHL CC(C)OCCOc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-] ZINC001227306081 1375418495 /nfs/dbraw/zinc/41/84/95/1375418495.db2.gz FNRKSCAUKHMXIW-UHFFFAOYSA-N -2 3 330.336 3.161 20 5 EGBDHL O=C([N-]c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cc(-c2ccco2)on1 ZINC000181538350 455352019 /nfs/dbraw/zinc/35/20/19/455352019.db2.gz UQQLJGQPJXEPAY-UHFFFAOYSA-N -2 3 349.686 3.454 20 5 EGBDHL O=c1ccnc(C(=Cc2ccc([N+](=O)[O-])c([O-])c2)Cc2ccccc2)[n-]1 ZINC000357403225 457499463 /nfs/dbraw/zinc/49/94/63/457499463.db2.gz UJZXAZYLXRXBKZ-RVDMUPIBSA-N -2 3 349.346 3.167 20 5 EGBDHL O=c1nc(C=Cc2csc(Cl)c2Cl)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352013231 165191827 /nfs/dbraw/zinc/19/18/27/165191827.db2.gz HZDDYUXYRHPTOU-OWOJBTEDSA-N -2 3 334.140 3.335 20 5 EGBDHL C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])c2c([O-])cccc21 ZINC000186333193 455746082 /nfs/dbraw/zinc/74/60/82/455746082.db2.gz RDQLSKMBMGWJJU-SNVBAGLBSA-N -2 3 328.324 3.160 20 5 EGBDHL O=c1cccc2oc3cc([O-])c(OC[C@@H]4CCC=CO4)cc3c([O-])c1-2 ZINC001227306131 1375418446 /nfs/dbraw/zinc/41/84/46/1375418446.db2.gz GFROYLXDCOXKKM-NSHDSACASA-N -2 3 340.331 3.429 20 5 EGBDHL O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(C3CCC3)cc2)ccc1[O-] ZINC000447275641 458278499 /nfs/dbraw/zinc/27/84/99/458278499.db2.gz WOXKTJOFVHXCBF-UHFFFAOYSA-N -2 3 348.380 3.369 20 5 EGBDHL O=c1ccnc(C(=Cc2cc([O-])ccc2[N+](=O)[O-])Cc2ccccc2)[n-]1 ZINC000432707857 458773923 /nfs/dbraw/zinc/77/39/23/458773923.db2.gz DRISMDMOSUVCSS-RVDMUPIBSA-N -2 3 349.346 3.167 20 5 EGBDHL COc1c([O-])ccc(CNc2cccc([C@@H](C)C(=O)[O-])c2)c1[N+](=O)[O-] ZINC001599345209 997992548 /nfs/dbraw/zinc/99/25/48/997992548.db2.gz RZFUBQXYGNMLSH-SNVBAGLBSA-N -2 3 346.339 3.109 20 5 EGBDHL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc([O-])c2)cc1[N+](=O)[O-] ZINC000119803881 152229540 /nfs/dbraw/zinc/22/95/40/152229540.db2.gz OCHAYCHOJKWFJP-UHFFFAOYSA-N -2 3 342.760 3.063 20 5 EGBDHL Cc1cc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1C1CC1 ZINC000359066670 167056115 /nfs/dbraw/zinc/05/61/15/167056115.db2.gz DMGQETMUIGXHAU-UHFFFAOYSA-N -2 3 348.380 3.287 20 5 EGBDHL O=C([O-])/C=C/c1ccc(NCc2ccc([O-])c(F)c2)c([N+](=O)[O-])c1 ZINC000739627768 576436026 /nfs/dbraw/zinc/43/60/26/576436026.db2.gz ZTBODEDAJMUGBR-ZZXKWVIFSA-N -2 3 332.287 3.149 20 5 EGBDHL COc1ccc(OC)c([C@H](C)Oc2cc([O-])cc([O-])c2[N+](=O)[O-])c1 ZINC001228973827 1375728791 /nfs/dbraw/zinc/72/87/91/1375728791.db2.gz NDUMMOKVXDOMEH-VIFPVBQESA-N -2 3 335.312 3.163 20 5 EGBDHL O=c1nc(C=Cc2csc(-c3cccs3)n2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352022583 165194982 /nfs/dbraw/zinc/19/49/82/165194982.db2.gz ZVZPICFCLVYTBA-ARJAWSKDSA-N -2 3 348.365 3.151 20 5 EGBDHL O=C(Nc1cc(Cc2ccccc2)ccc1[O-])c1ccc([N+](=O)[O-])[n-]1 ZINC000535420937 314045905 /nfs/dbraw/zinc/04/59/05/314045905.db2.gz XFBNWGRLCIOTJK-UHFFFAOYSA-N -2 3 337.335 3.472 20 5 EGBDHL O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119382403 454191055 /nfs/dbraw/zinc/19/10/55/454191055.db2.gz JQHWRMSAOJAKNE-UHFFFAOYSA-N -2 3 342.229 3.277 20 5 EGBDHL COc1cc(C=Cc2cc(=O)[n-]c(C(C)(C)C)n2)cc([N+](=O)[O-])c1[O-] ZINC000436813053 458386010 /nfs/dbraw/zinc/38/60/10/458386010.db2.gz COPIRSDQBSGCJD-AATRIKPKSA-N -2 3 345.355 3.273 20 5 EGBDHL O=c1nc(C=Cc2cnc(C3CCCCC3)s2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000574833347 459880063 /nfs/dbraw/zinc/88/00/63/459880063.db2.gz SRKQHDOUKVIMLW-VOTSOKGWSA-N -2 3 348.384 3.471 20 5 EGBDHL CC[C@H](COC)Oc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-] ZINC001227306420 1375418411 /nfs/dbraw/zinc/41/84/11/1375418411.db2.gz JWPCERAPJKXSIF-SNVBAGLBSA-N -2 3 330.336 3.161 20 5 EGBDHL C[C@H](Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12)C1CC1 ZINC001234120694 1376769708 /nfs/dbraw/zinc/76/97/08/1376769708.db2.gz VGKRMCOCQDDUCB-QMMMGPOBSA-N -2 3 328.320 3.240 20 5 EGBDHL O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)ccc1[O-] ZINC000195452126 455964040 /nfs/dbraw/zinc/96/40/40/455964040.db2.gz UVFIOCGEMAKGIC-UHFFFAOYSA-N -2 3 344.295 3.039 20 5 EGBDHL O=C([O-])/C=C\c1ccc(NCc2ccc([O-])c(F)c2)c([N+](=O)[O-])c1 ZINC000739627766 576435957 /nfs/dbraw/zinc/43/59/57/576435957.db2.gz ZTBODEDAJMUGBR-UTCJRWHESA-N -2 3 332.287 3.149 20 5 EGBDHL COc1c([O-])ccc(CNc2cccc([C@H](C)C(=O)[O-])c2)c1[N+](=O)[O-] ZINC001599345207 997992866 /nfs/dbraw/zinc/99/28/66/997992866.db2.gz RZFUBQXYGNMLSH-JTQLQIEISA-N -2 3 346.339 3.109 20 5 EGBDHL Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c(C)c1 ZINC000158910534 307865492 /nfs/dbraw/zinc/86/54/92/307865492.db2.gz QJYSSLZIRIHJLF-UHFFFAOYSA-N -2 3 336.369 3.026 20 5 EGBDHL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000158905379 455336961 /nfs/dbraw/zinc/33/69/61/455336961.db2.gz CLUXRPOYNJVHHZ-UHFFFAOYSA-N -2 3 342.760 3.063 20 5 EGBDHL Cc1cccc(C)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C ZINC000156401787 455114308 /nfs/dbraw/zinc/11/43/08/455114308.db2.gz OTWVRSYOXXRHQZ-UHFFFAOYSA-N -2 3 336.369 3.026 20 5 EGBDHL O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(C3CCC3)c2)ccc1[O-] ZINC000359558842 167193272 /nfs/dbraw/zinc/19/32/72/167193272.db2.gz GUISEYXCYNUSSB-UHFFFAOYSA-N -2 3 348.380 3.369 20 5 EGBDHL CC(C)c1nnc(C(=O)[N-]c2cc(Cl)cc([N+](=O)[O-])c2[O-])s1 ZINC000283497268 275728738 /nfs/dbraw/zinc/72/87/38/275728738.db2.gz QXERWXOCLUHDNJ-UHFFFAOYSA-N -2 3 342.764 3.181 20 5 EGBDHL COc1cc(C=Cc2cc(=O)[n-]c(C(C)(C)C)n2)cc([N+](=O)[O-])c1[O-] ZINC000436813056 458386422 /nfs/dbraw/zinc/38/64/22/458386422.db2.gz COPIRSDQBSGCJD-WAYWQWQTSA-N -2 3 345.355 3.273 20 5 EGBDHL O=c1ccc(O)c2oc3cc([O-])cc(O[C@@H]4C[C@H]5C[C@H]5C4)c3c([O-])c1-2 ZINC001234125837 1376771273 /nfs/dbraw/zinc/77/12/73/1376771273.db2.gz YRJLFUWEXHWCOZ-DOFRTFSJSA-N -2 3 340.331 3.240 20 5 EGBDHL O=c1nc(C=Cc2cnc(-c3ccccc3)s2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352027224 165199270 /nfs/dbraw/zinc/19/92/70/165199270.db2.gz NFBZITFYZFGNRA-SREVYHEPSA-N -2 3 342.336 3.090 20 5 EGBDHL CCCc1nc(C(=O)[N-]c2cc(Cl)cc([N+](=O)[O-])c2[O-])co1 ZINC000353940444 456973487 /nfs/dbraw/zinc/97/34/87/456973487.db2.gz JFJQRSBBCNIMIA-UHFFFAOYSA-N -2 3 325.708 3.147 20 5 EGBDHL O=C1CCC(Oc2cc3c([O-])c4c(=O)cccc-4oc3cc2[O-])CC1 ZINC001227306890 1375418086 /nfs/dbraw/zinc/41/80/86/1375418086.db2.gz OYSHNAAMSJCHCH-UHFFFAOYSA-N -2 3 340.331 3.248 20 5 EGBDHL O=[N+]([O-])c1c([O-])cc([O-])cc1O[C@H]1C[C@H](OCc2ccccc2)C1 ZINC001228974423 1375727906 /nfs/dbraw/zinc/72/79/06/1375727906.db2.gz SECJOHAELDSGOQ-HDJSIYSDSA-N -2 3 331.324 3.133 20 5 EGBDHL O=c1ccc(O)c2oc3cc([O-])cc(O[C@@H]4C=CCC4)c3c([O-])c1-2 ZINC001234123609 1376770807 /nfs/dbraw/zinc/77/08/07/1376770807.db2.gz DRMITJBYCIZEIP-SNVBAGLBSA-N -2 3 326.304 3.160 20 5 EGBDHL O=[N+]([O-])c1c([O-])cc([O-])cc1O[C@@H](c1cccnc1)C(F)(F)F ZINC001228971913 1375728668 /nfs/dbraw/zinc/72/86/68/1375728668.db2.gz SPSCHTDQICLDMJ-LBPRGKRZSA-N -2 3 330.218 3.083 20 5 EGBDHL O=c1ccc(O)c2oc3cc([O-])cc(OC4CC=CC4)c3c([O-])c1-2 ZINC001234124886 1376771306 /nfs/dbraw/zinc/77/13/06/1376771306.db2.gz MENNDZGERRCVHZ-UHFFFAOYSA-N -2 3 326.304 3.160 20 5 EGBDHL O=c1nc(C=Cc2cc(F)cc(C(F)(F)F)c2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352025048 165196827 /nfs/dbraw/zinc/19/68/27/165196827.db2.gz BYFGGOKIBWDZLD-UPHRSURJSA-N -2 3 345.208 3.124 20 5 EGBDHL Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000024100987 212409331 /nfs/dbraw/zinc/40/93/31/212409331.db2.gz XNUHTDJNENKKSQ-UHFFFAOYSA-N -2 3 342.760 3.063 20 5 EGBDHL C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])c2c([O-])cccc21 ZINC000186333210 455745819 /nfs/dbraw/zinc/74/58/19/455745819.db2.gz RDQLSKMBMGWJJU-JTQLQIEISA-N -2 3 328.324 3.160 20 5 EGBDHL CCCc1cc(=O)[n-]c(C(=Cc2ccc([O-])c([N+](=O)[O-])c2)CC)n1 ZINC000436963831 458414214 /nfs/dbraw/zinc/41/42/14/458414214.db2.gz DBEUNGXBIUXUCU-WQLSENKSSA-N -2 3 329.356 3.287 20 5 EGBDHL COc1ccc(OC(C)C)c(COc2cc([O-])cc([O-])c2[N+](=O)[O-])c1 ZINC001228972574 1375728009 /nfs/dbraw/zinc/72/80/09/1375728009.db2.gz YYIXBXLKSWMLEV-UHFFFAOYSA-N -2 3 349.339 3.381 20 5 EGBDHL O=c1nc(C=Cc2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352021831 165195364 /nfs/dbraw/zinc/19/53/64/165195364.db2.gz RLPYBFUMNHPXHU-OWOJBTEDSA-N -2 3 328.111 3.273 20 5 EGBDHL Cc1cc(C)cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1 ZINC000508221248 312091130 /nfs/dbraw/zinc/09/11/30/312091130.db2.gz QRKGDDPTYBEPGS-UHFFFAOYSA-N -2 3 336.369 3.026 20 5 EGBDHL CC(C)[C@H](C)Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12 ZINC001234124832 1376771409 /nfs/dbraw/zinc/77/14/09/1376771409.db2.gz LNULLJCKXKTAIU-VIFPVBQESA-N -2 3 330.336 3.486 20 5 EGBDHL C[C@H]1COCC[C@@H]1Oc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-] ZINC001227311243 1375419191 /nfs/dbraw/zinc/41/91/91/1375419191.db2.gz ZDDRCAKBLXOLSB-HZMBPMFUSA-N -2 3 342.347 3.161 20 5 EGBDHL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000158904918 307865383 /nfs/dbraw/zinc/86/53/83/307865383.db2.gz BCTUCAMPHXNWAW-UHFFFAOYSA-N -2 3 342.760 3.063 20 5 EGBDHL Cc1ccc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1 ZINC000158903050 455336849 /nfs/dbraw/zinc/33/68/49/455336849.db2.gz CJQPABBRJGASTA-UHFFFAOYSA-N -2 3 336.369 3.026 20 5 EGBDHL CCCc1cc(=O)[n-]c(C(=Cc2ccc([O-])c([N+](=O)[O-])c2)CC)n1 ZINC000193617688 240236458 /nfs/dbraw/zinc/23/64/58/240236458.db2.gz DBEUNGXBIUXUCU-XYOKQWHBSA-N -2 3 329.356 3.287 20 5 EGBDHL O=c1nc(C=Cc2nc(-c3ccccc3)cs2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352020002 165195473 /nfs/dbraw/zinc/19/54/73/165195473.db2.gz FGHBKDCPYOWYFA-SREVYHEPSA-N -2 3 342.336 3.090 20 5 EGBDHL O=c1nc(C=Cc2ccc(-c3ccccc3F)o2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352015352 457331503 /nfs/dbraw/zinc/33/15/03/457331503.db2.gz XXNMVWHZRKIDRF-ALCCZGGFSA-N -2 3 343.270 3.366 20 5 EGBDHL O=C([N-]c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1scnc1Cl ZINC000758471286 1300892426 /nfs/dbraw/zinc/89/24/26/1300892426.db2.gz NNIHOLRABDSVMN-UHFFFAOYSA-N -2 3 334.140 3.316 20 5 EGBDHL O=C(Nc1cccc(Cl)c1[O-])c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000077011718 454060018 /nfs/dbraw/zinc/06/00/18/454060018.db2.gz DUTHPRBWPYTZJT-UHFFFAOYSA-N -2 3 332.703 3.082 20 5 EGBDHL C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])c2c([O-])cccc21 ZINC000187547635 455923637 /nfs/dbraw/zinc/92/36/37/455923637.db2.gz JNBUBGWDGIORSX-JTQLQIEISA-N -2 3 328.324 3.160 20 5 EGBDHL C[C@H]1OCC[C@H]1COc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-] ZINC001227306887 1375418488 /nfs/dbraw/zinc/41/84/88/1375418488.db2.gz OTAXGQLTAAQQLG-MNOVXSKESA-N -2 3 342.347 3.161 20 5 EGBDHL O=c1nc(C=Cc2cnc(-c3ccccc3)s2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352027225 165198523 /nfs/dbraw/zinc/19/85/23/165198523.db2.gz NFBZITFYZFGNRA-VOTSOKGWSA-N -2 3 342.336 3.090 20 5 EGBDHL CCc1cc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])ccc1[O-] ZINC000553543328 315269452 /nfs/dbraw/zinc/26/94/52/315269452.db2.gz DKHWZYZMTIWLNF-UHFFFAOYSA-N -2 3 336.731 3.474 20 5 EGBDHL CC(C)c1ccc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc1[N+](=O)[O-] ZINC000619864652 460456271 /nfs/dbraw/zinc/45/62/71/460456271.db2.gz PWQPNNHERXXDGD-GQCTYLIASA-N -2 3 329.312 3.082 20 5 EGBDHL O=[N+]([O-])c1c([O-])cc([O-])cc1O[C@H](c1cccnc1)C(F)(F)F ZINC001228971911 1375728509 /nfs/dbraw/zinc/72/85/09/1375728509.db2.gz SPSCHTDQICLDMJ-GFCCVEGCSA-N -2 3 330.218 3.083 20 5 EGBDHL O=C([N-]c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ncc(Cl)s1 ZINC001116876271 1370992708 /nfs/dbraw/zinc/99/27/08/1370992708.db2.gz ZSXRJAWOURSFTI-UHFFFAOYSA-N -2 3 334.140 3.316 20 5 EGBDHL COc1ccc([C@H](C)Oc2cc([O-])cc([O-])c2[N+](=O)[O-])cc1OC ZINC001228974486 1375727787 /nfs/dbraw/zinc/72/77/87/1375727787.db2.gz SSTZRHOANFKSIM-VIFPVBQESA-N -2 3 335.312 3.163 20 5 EGBDHL O=[N+]([O-])c1c([O-])cc([O-])cc1OC1CC(OCc2ccccc2)C1 ZINC001228971838 1375728242 /nfs/dbraw/zinc/72/82/42/1375728242.db2.gz SECJOHAELDSGOQ-UHFFFAOYSA-N -2 3 331.324 3.133 20 5 EGBDHL O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc([O-])ccc1C(F)(F)F ZINC000189354658 153065529 /nfs/dbraw/zinc/06/55/29/153065529.db2.gz DKZMXIGEQOYFIE-UHFFFAOYSA-N -2 3 342.229 3.277 20 5 EGBDHL O=c1nc(C=Cc2nc(-c3ccccc3)cs2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352020003 165195141 /nfs/dbraw/zinc/19/51/41/165195141.db2.gz FGHBKDCPYOWYFA-VOTSOKGWSA-N -2 3 342.336 3.090 20 5 EGBDHL C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)c2c([O-])cccc21 ZINC000186256086 455726680 /nfs/dbraw/zinc/72/66/80/455726680.db2.gz LQGLMVUWKRZIAX-JTQLQIEISA-N -2 3 328.324 3.160 20 5 EGBDHL C[C@H]1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)c2c([O-])cccc21 ZINC000358391111 457972699 /nfs/dbraw/zinc/97/26/99/457972699.db2.gz PTVVKQZEUUAYPT-JTQLQIEISA-N -2 3 328.324 3.160 20 5 EGBDHL CCOC[C@@H](C)Oc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-] ZINC001227306785 1375418376 /nfs/dbraw/zinc/41/83/76/1375418376.db2.gz NHQBBLAZHTZPPB-SNVBAGLBSA-N -2 3 330.336 3.161 20 5 EGBDHL O=c1nc(C=Cc2ccc(F)c(C(F)(F)F)c2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352029539 165198511 /nfs/dbraw/zinc/19/85/11/165198511.db2.gz ZZSAJLJTUJBFKS-DUXPYHPUSA-N -2 3 345.208 3.124 20 5 EGBDHL C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])c2c([O-])cccc21 ZINC000186262977 455728828 /nfs/dbraw/zinc/72/88/28/455728828.db2.gz TUKYJNHPDKEVJS-JTQLQIEISA-N -2 3 328.324 3.160 20 5 EGBDHL CO[C@@H](C)CCOc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-] ZINC001227305899 1375418428 /nfs/dbraw/zinc/41/84/28/1375418428.db2.gz BUJMAMCJDGZSQU-JTQLQIEISA-N -2 3 330.336 3.161 20 5 EGBDHL C[C@@H]1COCC[C@@H]1Oc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-] ZINC001227311268 1375419221 /nfs/dbraw/zinc/41/92/21/1375419221.db2.gz ZDDRCAKBLXOLSB-YGRLFVJLSA-N -2 3 342.347 3.161 20 5 EGBDHL O=c1ccnc(C(=Cc2cc([O-])ccc2[N+](=O)[O-])Cc2ccccc2)[n-]1 ZINC000432707852 309666407 /nfs/dbraw/zinc/66/64/07/309666407.db2.gz DRISMDMOSUVCSS-PTNGSMBKSA-N -2 3 349.346 3.167 20 5 EGBDHL