smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@](C)(C(=O)[O-])N(Cc1c(F)cc([N+](=O)[O-])cc1F)CC1CC1 ZINC001594788162 981834093 /nfs/dbraw/zinc/83/40/93/981834093.db2.gz SUKGRZFDDBOBTO-MRXNPFEDSA-N -1 3 342.342 3.338 20 5 EGBDHM CC[C@@](C)(C(=O)[O-])N(Cc1c(F)cc([N+](=O)[O-])cc1F)CC1CC1 ZINC001594788161 981834184 /nfs/dbraw/zinc/83/41/84/981834184.db2.gz SUKGRZFDDBOBTO-INIZCTEOSA-N -1 3 342.342 3.338 20 5 EGBDHM CC[C@H](C)N[C@H](CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccco1 ZINC001594995211 982890334 /nfs/dbraw/zinc/89/03/34/982890334.db2.gz UJTNMRDTZGMPNZ-SMDDNHRTSA-N -1 3 347.371 3.427 20 5 EGBDHM CN(CCc1ccc(F)cc1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598500349 992427344 /nfs/dbraw/zinc/42/73/44/992427344.db2.gz UKBUKNBUIVOOBJ-UHFFFAOYSA-N -1 3 332.331 3.107 20 5 EGBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)CCCC(C)C ZINC000071906025 203145214 /nfs/dbraw/zinc/14/52/14/203145214.db2.gz UPMJYDVSJZLSDN-CYBMUJFWSA-N -1 3 328.434 3.396 20 5 EGBDHM O=C(Nc1nc(-c2cccs2)cs1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186815174 144144140 /nfs/dbraw/zinc/14/41/40/144144140.db2.gz RHMNGYQTOKLOQK-UHFFFAOYSA-N -1 3 348.365 3.133 20 5 EGBDHM COc1ccc([N-]C(=O)c2c(F)ccc(F)c2F)cc1[N+](=O)[O-] ZINC000121191589 152333217 /nfs/dbraw/zinc/33/32/17/152333217.db2.gz FKULBPXZDBTBLK-UHFFFAOYSA-N -1 3 326.230 3.273 20 5 EGBDHM O=C([N-]c1ccnc(OCc2ccccc2)c1)c1ccc([N+](=O)[O-])o1 ZINC000337480562 154374393 /nfs/dbraw/zinc/37/43/93/154374393.db2.gz YTKHRSRCRLJSKZ-UHFFFAOYSA-N -1 3 339.307 3.414 20 5 EGBDHM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1[O-] ZINC000064722469 161565494 /nfs/dbraw/zinc/56/54/94/161565494.db2.gz KHGPXZQTFNLEFJ-SECBINFHSA-N -1 3 336.731 3.360 20 5 EGBDHM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]c2n[nH]c(-c3ccccc3F)n2)c1 ZINC000175970511 265149341 /nfs/dbraw/zinc/14/93/41/265149341.db2.gz IZFHNXDNOOJGDR-UHFFFAOYSA-N -1 3 341.302 3.080 20 5 EGBDHM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(C(C)(C)C)cc1 ZINC000188253314 275217495 /nfs/dbraw/zinc/21/74/95/275217495.db2.gz QQRPDEWPGOTEQH-UHFFFAOYSA-N -1 3 329.356 3.270 20 5 EGBDHM CC(C)c1scnc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000341303759 275780790 /nfs/dbraw/zinc/78/07/90/275780790.db2.gz NVUQFFNQXMUWOJ-UHFFFAOYSA-N -1 3 331.357 3.303 20 5 EGBDHM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000127826574 307590843 /nfs/dbraw/zinc/59/08/43/307590843.db2.gz QWNHCKXZDAZKCQ-UHFFFAOYSA-N -1 3 349.412 3.078 20 5 EGBDHM COc1cc(CNc2ccc([C@H]3CCOC3)cc2)c([N+](=O)[O-])cc1[O-] ZINC000292960828 308084322 /nfs/dbraw/zinc/08/43/22/308084322.db2.gz JLXRLIYQHORERR-ZDUSSCGKSA-N -1 3 344.367 3.425 20 5 EGBDHM O=c1cc(CSCCc2ccc([N+](=O)[O-])cc2)nc(C2CC2)[n-]1 ZINC000419593536 309270185 /nfs/dbraw/zinc/27/01/85/309270185.db2.gz XVRHRIPTTHOAII-UHFFFAOYSA-N -1 3 331.397 3.444 20 5 EGBDHM CC(C)c1[nH]nc(C(=O)[N-]c2nc(C(C)(C)C)cs2)c1[N+](=O)[O-] ZINC000433828350 309697599 /nfs/dbraw/zinc/69/75/99/309697599.db2.gz KFNIRIPUFIMRQS-UHFFFAOYSA-N -1 3 337.405 3.448 20 5 EGBDHM Cc1cccc(C)c1CS(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1C ZINC000450988688 310153769 /nfs/dbraw/zinc/15/37/69/310153769.db2.gz OPMBFGZYGQCIBP-UHFFFAOYSA-N -1 3 334.397 3.462 20 5 EGBDHM CCCC[C@H](CCC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000484788456 310970215 /nfs/dbraw/zinc/97/02/15/310970215.db2.gz YPBHUCSDJAHWEJ-LBPRGKRZSA-N -1 3 344.433 3.241 20 5 EGBDHM CC(C)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000507528396 312076335 /nfs/dbraw/zinc/07/63/35/312076335.db2.gz GXBJHXPIQJOFHK-QWHCGFSZSA-N -1 3 326.418 3.088 20 5 EGBDHM O=C([N-]c1n[nH]c(-c2ccc(Cl)cc2)n1)c1csc([N+](=O)[O-])c1 ZINC000517746400 312392128 /nfs/dbraw/zinc/39/21/28/312392128.db2.gz QTJMSNRFXQBGSK-UHFFFAOYSA-N -1 3 349.759 3.347 20 5 EGBDHM Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000524574848 312665639 /nfs/dbraw/zinc/66/56/39/312665639.db2.gz SZEOTKVWULNVKF-CQSZACIVSA-N -1 3 348.424 3.121 20 5 EGBDHM O=[N+]([O-])c1ccc(C=Cc2nc(-c3ccc4n[n-]nc4c3)no2)cc1 ZINC000574578457 317613929 /nfs/dbraw/zinc/61/39/29/317613929.db2.gz RSOVIQAOESVWJW-BAQGIRSFSA-N -1 3 334.295 3.087 20 5 EGBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1c(F)cccc1Cl ZINC000183404775 455288140 /nfs/dbraw/zinc/28/81/40/455288140.db2.gz ALWSWPYCIUXTPM-UHFFFAOYSA-N -1 3 344.751 3.329 20 5 EGBDHM CC(C)(NC(=O)NCc1ccc([O-])c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000080147976 454541903 /nfs/dbraw/zinc/54/19/03/454541903.db2.gz KZSSSTPAGWGOEQ-UHFFFAOYSA-N -1 3 347.346 3.174 20 5 EGBDHM O=C([N-]c1nc(Cc2ccccc2)ns1)c1cccc([N+](=O)[O-])c1 ZINC000107200130 454746832 /nfs/dbraw/zinc/74/68/32/454746832.db2.gz BRFOYGOXFHRVRW-UHFFFAOYSA-N -1 3 340.364 3.289 20 5 EGBDHM Cc1cc(C)c([N+](=O)[O-])cc1[N-]C(=O)c1ncoc1[C@@H]1CCCO1 ZINC000115008311 454991074 /nfs/dbraw/zinc/99/10/74/454991074.db2.gz ZOUCSATXTGYAAD-ZDUSSCGKSA-N -1 3 331.328 3.303 20 5 EGBDHM Cc1nc(NCc2ccc([O-])c(Br)c2)ccc1[N+](=O)[O-] ZINC000155651519 455027143 /nfs/dbraw/zinc/02/71/43/455027143.db2.gz YWKHUPWYAPDGJS-UHFFFAOYSA-N -1 3 338.161 3.378 20 5 EGBDHM O=C(CCOc1ccccc1[N+](=O)[O-])N1CCCc2cccc([O-])c21 ZINC000182916619 455191274 /nfs/dbraw/zinc/19/12/74/455191274.db2.gz LECAMGOFGCVYOX-UHFFFAOYSA-N -1 3 342.351 3.049 20 5 EGBDHM CCCc1[nH]nc(C(=O)[N-]c2nccc3sccc32)c1[N+](=O)[O-] ZINC000183930501 455340590 /nfs/dbraw/zinc/34/05/90/455340590.db2.gz WQEOWTNVAGEYBZ-UHFFFAOYSA-N -1 3 331.357 3.132 20 5 EGBDHM CC(C)(C)OCc1cc(C(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)no1 ZINC000184820438 455454106 /nfs/dbraw/zinc/45/41/06/455454106.db2.gz GBKUDDDUNCFSCU-UHFFFAOYSA-N -1 3 337.307 3.289 20 5 EGBDHM Cc1ccc(Sc2ccc(CNCC(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000340671538 456612030 /nfs/dbraw/zinc/61/20/30/456612030.db2.gz ANNKHGSLBIDYNM-UHFFFAOYSA-N -1 3 332.381 3.229 20 5 EGBDHM CSc1cc2c(cc1[N-]C(=O)c1ccccc1[N+](=O)[O-])OCCO2 ZINC000357427806 457518402 /nfs/dbraw/zinc/51/84/02/457518402.db2.gz FOHNVGGPDPUBLM-UHFFFAOYSA-N -1 3 346.364 3.340 20 5 EGBDHM COc1ccc(NC(=O)c2cn[n-]c2-c2ccsc2)cc1[N+](=O)[O-] ZINC000444295862 457882134 /nfs/dbraw/zinc/88/21/34/457882134.db2.gz PQWOSVAGKXXSHV-UHFFFAOYSA-N -1 3 344.352 3.307 20 5 EGBDHM COc1ccc(NC(=O)c2c[n-]nc2-c2ccsc2)cc1[N+](=O)[O-] ZINC000444295862 457882139 /nfs/dbraw/zinc/88/21/39/457882139.db2.gz PQWOSVAGKXXSHV-UHFFFAOYSA-N -1 3 344.352 3.307 20 5 EGBDHM Cc1ccc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000426748548 457892958 /nfs/dbraw/zinc/89/29/58/457892958.db2.gz YJNZQSZZZHHQOW-HNNXBMFYSA-N -1 3 334.759 3.472 20 5 EGBDHM COc1ccc(CN[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1[N+](=O)[O-] ZINC000426758338 457893889 /nfs/dbraw/zinc/89/38/89/457893889.db2.gz HSWVIAIJAFUHNQ-QGZVFWFLSA-N -1 3 344.367 3.136 20 5 EGBDHM O=C([O-])[C@@H](Cc1ccccc1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000426784813 457901673 /nfs/dbraw/zinc/90/16/73/457901673.db2.gz SWNJTFLHQPTGFV-OAHLLOKOSA-N -1 3 334.759 3.034 20 5 EGBDHM O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])NCc1ccccc1Cl ZINC000426819343 457911074 /nfs/dbraw/zinc/91/10/74/457911074.db2.gz VMCYGRDEZSPHLR-AWEZNQCLSA-N -1 3 334.759 3.034 20 5 EGBDHM O=c1cc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)nc(C2CC2)[n-]1 ZINC000459341542 458336390 /nfs/dbraw/zinc/33/63/90/458336390.db2.gz DARYXKXODSALAY-UHFFFAOYSA-N -1 3 340.383 3.132 20 5 EGBDHM CCN(CC)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000436670421 458357118 /nfs/dbraw/zinc/35/71/18/458357118.db2.gz FNSADQVEXFFOHO-UHFFFAOYSA-N -1 3 343.383 3.395 20 5 EGBDHM COc1cc(-c2noc(-c3ccc([N+](=O)[O-])cc3C)n2)ccc1[O-] ZINC000436793115 458381367 /nfs/dbraw/zinc/38/13/67/458381367.db2.gz ZHZQQBOWJPUOEM-UHFFFAOYSA-N -1 3 327.296 3.334 20 5 EGBDHM CCN(CC)Cc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000436909216 458403979 /nfs/dbraw/zinc/40/39/79/458403979.db2.gz LROKCVMEVVJFSF-UHFFFAOYSA-N -1 3 343.383 3.395 20 5 EGBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000467048590 458948705 /nfs/dbraw/zinc/94/87/05/458948705.db2.gz UICZRWNKLOGJEK-VIFPVBQESA-N -1 3 332.447 3.212 20 5 EGBDHM Cc1sc(S(=O)(=O)[N-]C[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000467086804 458951413 /nfs/dbraw/zinc/95/14/13/458951413.db2.gz UPIVZCPSIPQOID-JTQLQIEISA-N -1 3 340.426 3.047 20 5 EGBDHM CCC[C@@H](CC)[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594752489 459152365 /nfs/dbraw/zinc/15/23/65/459152365.db2.gz PYHWUQJOBGIQAV-LLVKDONJSA-N -1 3 337.401 3.000 20 5 EGBDHM CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594762097 459152854 /nfs/dbraw/zinc/15/28/54/459152854.db2.gz YQFZZAGMRKSUHF-DGCLKSJQSA-N -1 3 349.412 3.000 20 5 EGBDHM CCC1([N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CCCC1 ZINC000594777575 459154718 /nfs/dbraw/zinc/15/47/18/459154718.db2.gz XOZZSRWOSHQKOB-UHFFFAOYSA-N -1 3 349.412 3.144 20 5 EGBDHM CCC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000524537720 459369912 /nfs/dbraw/zinc/36/99/12/459369912.db2.gz KJRGJRGKZOHUNC-QWHCGFSZSA-N -1 3 326.418 3.232 20 5 EGBDHM CCOc1cc2c(cc1CNc1cc[n-]c(=O)c1[N+](=O)[O-])O[C@@H](C)C2 ZINC000596063725 459506578 /nfs/dbraw/zinc/50/65/78/459506578.db2.gz RFLYYYKZVDODLD-JTQLQIEISA-N -1 3 345.355 3.030 20 5 EGBDHM CCCC(=O)Nc1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596077675 459510861 /nfs/dbraw/zinc/51/08/61/459510861.db2.gz NMWBRJWHDFCLNB-UHFFFAOYSA-N -1 3 330.344 3.046 20 5 EGBDHM CCOc1cc(CCCNc2cc[n-]c(=O)c2[N+](=O)[O-])ccc1OC ZINC000596130632 459531156 /nfs/dbraw/zinc/53/11/56/459531156.db2.gz UVNKOZLJORTAJA-UHFFFAOYSA-N -1 3 347.371 3.147 20 5 EGBDHM O=c1[n-]ccc(NCc2ccccc2N2CCCCC2)c1[N+](=O)[O-] ZINC000596187523 459553584 /nfs/dbraw/zinc/55/35/84/459553584.db2.gz PKNUGQYOEYVEDA-UHFFFAOYSA-N -1 3 328.372 3.298 20 5 EGBDHM COc1cccc(CC2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)c1 ZINC000596191323 459555484 /nfs/dbraw/zinc/55/54/84/459555484.db2.gz PBSOIVOPCFXJMD-UHFFFAOYSA-N -1 3 343.383 3.163 20 5 EGBDHM CC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCCC1 ZINC000497765530 459556698 /nfs/dbraw/zinc/55/66/98/459556698.db2.gz HMMFCEGZLQUPHQ-UHFFFAOYSA-N -1 3 332.809 3.249 20 5 EGBDHM O=C([O-])CCCN(Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000583817772 459601690 /nfs/dbraw/zinc/60/16/90/459601690.db2.gz AUCNSCPPBXVZPZ-UHFFFAOYSA-N -1 3 328.368 3.462 20 5 EGBDHM C[C@@H](C(=O)[O-])C1(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000593010704 459738592 /nfs/dbraw/zinc/73/85/92/459738592.db2.gz LLHGBNUQQZUDPS-NSHDSACASA-N -1 3 330.340 3.198 20 5 EGBDHM C[C@H](C(=O)[O-])C1(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000593010702 459738807 /nfs/dbraw/zinc/73/88/07/459738807.db2.gz LLHGBNUQQZUDPS-LLVKDONJSA-N -1 3 330.340 3.198 20 5 EGBDHM O=C(Nc1cc(Cl)cc(Cl)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000614307683 460087608 /nfs/dbraw/zinc/08/76/08/460087608.db2.gz SKQZQZUHDPOYRQ-UHFFFAOYSA-N -1 3 328.111 3.255 20 5 EGBDHM Cc1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c2ccccc2n1 ZINC000603833851 460345005 /nfs/dbraw/zinc/34/50/05/460345005.db2.gz LBHFTELAFOIRLH-UHFFFAOYSA-N -1 3 347.334 3.002 20 5 EGBDHM CC(C)(CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000604376522 460414981 /nfs/dbraw/zinc/41/49/81/460414981.db2.gz GQLGDCKRCPIZJB-UHFFFAOYSA-N -1 3 348.424 3.241 20 5 EGBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccsc1 ZINC000619752269 460430650 /nfs/dbraw/zinc/43/06/50/460430650.db2.gz PRLMYBXQRASJJJ-MRVPVSSYSA-N -1 3 346.817 3.349 20 5 EGBDHM C[C@@H]1CCC[C@@H](C)N1CCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000736775236 576025422 /nfs/dbraw/zinc/02/54/22/576025422.db2.gz NVVVPUHXGVCIRJ-TXKQXAOOSA-N -1 3 347.415 3.367 20 5 EGBDHM CC[C@@](NCc1cccc([N+](=O)[O-])c1C)(C(=O)[O-])c1ccccc1 ZINC000736920379 576060752 /nfs/dbraw/zinc/06/07/52/576060752.db2.gz MMTMWELOQNSYIQ-SFHVURJKSA-N -1 3 328.368 3.383 20 5 EGBDHM O=[N+]([O-])c1cnc(SCc2cccc(Cl)c2)c(-c2nnn[n-]2)c1 ZINC000738374291 576319433 /nfs/dbraw/zinc/31/94/33/576319433.db2.gz MKWCXRAVGNAOHM-UHFFFAOYSA-N -1 3 348.775 3.116 20 5 EGBDHM C[C@@H](Nc1c(F)cc([N+](=O)[O-])cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824649495 607464127 /nfs/dbraw/zinc/46/41/27/607464127.db2.gz MQZKAAWRLVGVQA-MRVPVSSYSA-N -1 3 346.297 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ZINC001226333469 1375242608 /nfs/dbraw/zinc/24/26/08/1375242608.db2.gz KGIJWXQTDCNNQB-INIZCTEOSA-N -1 3 344.367 3.289 20 5 EGBDHM Cc1cc(OC2CCN(c3ccccc3[N+](=O)[O-])CC2)[n-]c(=S)n1 ZINC001226798088 1375337689 /nfs/dbraw/zinc/33/76/89/1375337689.db2.gz GJLOJXZRGILFII-UHFFFAOYSA-N -1 3 346.412 3.030 20 5 EGBDHM COc1ccc([C@@H](C)Oc2ncc([N+](=O)[O-])c3nc[n-]c32)c(F)c1 ZINC001227691380 1375461595 /nfs/dbraw/zinc/46/15/95/1375461595.db2.gz NJGMXOBKAPHCAT-MRVPVSSYSA-N -1 3 332.291 3.154 20 5 EGBDHM COc1cccc2c1[C@H](Oc1nc3ccc([N+](=O)[O-])cc3[n-]1)CCO2 ZINC001227746336 1375469587 /nfs/dbraw/zinc/46/95/87/1375469587.db2.gz RPMKDEIWNJYOPA-OAHLLOKOSA-N -1 3 341.323 3.382 20 5 EGBDHM COc1cccc2c1[C@H](Oc1nc3cc([N+](=O)[O-])ccc3[n-]1)CCO2 ZINC001227746336 1375469589 /nfs/dbraw/zinc/46/95/89/1375469589.db2.gz RPMKDEIWNJYOPA-OAHLLOKOSA-N -1 3 341.323 3.382 20 5 EGBDHM CC[C@@]1(C(=O)[O-])CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000904402370 956957916 /nfs/dbraw/zinc/95/79/16/956957916.db2.gz 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CCN(C(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21)c1cccc(OC)c1 ZINC000356236244 141326068 /nfs/dbraw/zinc/32/60/68/141326068.db2.gz SJBJIZJYBKQZIH-UHFFFAOYSA-N -1 3 340.339 3.146 20 5 EGBDHM C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC000190730092 153156383 /nfs/dbraw/zinc/15/63/83/153156383.db2.gz VXSKBESIVGHCCG-LLVKDONJSA-N -1 3 346.364 3.381 20 5 EGBDHM Cc1cc(S(=O)(=O)[N-]Cc2ccccc2[N+](=O)[O-])sc1Cl ZINC000191896999 153228832 /nfs/dbraw/zinc/22/88/32/153228832.db2.gz SRTDBDFVAXFMNT-UHFFFAOYSA-N -1 3 346.817 3.097 20 5 EGBDHM O=c1cc(C=CC=Cc2ccccc2[N+](=O)[O-])nc(-c2ccncc2)[n-]1 ZINC000352008263 165190701 /nfs/dbraw/zinc/19/07/01/165190701.db2.gz OKSVQRZMPFCIBO-YLSHZGKGSA-N -1 3 346.346 3.467 20 5 EGBDHM Cc1ccsc1C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000360265719 167286334 /nfs/dbraw/zinc/28/63/34/167286334.db2.gz IWVUANGITJFUPL-UHFFFAOYSA-N -1 3 340.426 3.060 20 5 EGBDHM COc1ccc(CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000277160215 267710986 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346.408 3.177 20 5 EGBDHM COc1c(C(=O)[N-]c2c(F)cc(F)cc2F)cccc1[N+](=O)[O-] ZINC000483646088 310953680 /nfs/dbraw/zinc/95/36/80/310953680.db2.gz SAOISVHTMFZBTK-UHFFFAOYSA-N -1 3 326.230 3.273 20 5 EGBDHM Cc1ccccc1C[C@@H](C)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000519174276 312443605 /nfs/dbraw/zinc/44/36/05/312443605.db2.gz GJBWHPSJFOOLFH-CQSZACIVSA-N -1 3 348.424 3.121 20 5 EGBDHM Cc1[n-][nH]c(=NC(=O)c2csc([N+](=O)[O-])c2)c1-c1ccccc1 ZINC000522168337 312579091 /nfs/dbraw/zinc/57/90/91/312579091.db2.gz RUIJJJVYWBJHCZ-UHFFFAOYSA-N -1 3 328.353 3.029 20 5 EGBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1cncc2ccccc21 ZINC000544743003 314714561 /nfs/dbraw/zinc/71/45/61/314714561.db2.gz UEURVIMJEJSPET-UHFFFAOYSA-N -1 3 343.364 3.085 20 5 EGBDHM O=[N+]([O-])c1cccc(C=Cc2nc(-c3ccc4n[n-]nc4c3)no2)c1 ZINC000572908993 317408270 /nfs/dbraw/zinc/40/82/70/317408270.db2.gz NBYFNUUANBWXPX-QPJJXVBHSA-N -1 3 334.295 3.087 20 5 EGBDHM CC(=O)c1cccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1[O-] ZINC000573281843 317462479 /nfs/dbraw/zinc/46/24/79/317462479.db2.gz CGNQWTBXJWAGNE-UHFFFAOYSA-N -1 3 334.715 3.409 20 5 EGBDHM CN(C)[C@@H](CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1cccs1 ZINC000580079665 325200273 /nfs/dbraw/zinc/20/02/73/325200273.db2.gz YTGJANXKBVXIOL-ZDUSSCGKSA-N -1 3 335.385 3.069 20 5 EGBDHM Cc1ccc(CCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000017334023 453634293 /nfs/dbraw/zinc/63/42/93/453634293.db2.gz JMQFGOONZLGKMO-UHFFFAOYSA-N -1 3 348.424 3.123 20 5 EGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2c(F)cccc2F)c(Cl)c1 ZINC000047521639 454381330 /nfs/dbraw/zinc/38/13/30/454381330.db2.gz PFYVUJNRNFKYNF-UHFFFAOYSA-N -1 3 348.714 3.327 20 5 EGBDHM CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nncs1 ZINC000133088156 454392150 /nfs/dbraw/zinc/39/21/50/454392150.db2.gz WFYRCTFJOXECJE-UHFFFAOYSA-N -1 3 338.414 3.447 20 5 EGBDHM O=C([N-]c1nnc(/C=C/c2ccco2)s1)c1ccccc1[N+](=O)[O-] ZINC000152466184 455123193 /nfs/dbraw/zinc/12/31/93/455123193.db2.gz RUDFIUKXFBHJTH-BQYQJAHWSA-N -1 3 342.336 3.462 20 5 EGBDHM C[C@@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])c2c([O-])cccc21 ZINC000186317668 455741504 /nfs/dbraw/zinc/74/15/04/455741504.db2.gz RQWLGMXXFZQZGI-GFCCVEGCSA-N -1 3 341.367 3.253 20 5 EGBDHM CCCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000347841603 456399467 /nfs/dbraw/zinc/39/94/67/456399467.db2.gz YOVATRXDIQHTMS-UHFFFAOYSA-N -1 3 332.809 3.107 20 5 EGBDHM C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000340438379 456462576 /nfs/dbraw/zinc/46/25/76/456462576.db2.gz KQIIAKHTQXFKOF-VHSXEESVSA-N -1 3 332.809 3.105 20 5 EGBDHM C[C@@H](CN(Cc1cc([O-])ccc1[N+](=O)[O-])[C@H](C)CO)c1ccccc1 ZINC000339201340 456989019 /nfs/dbraw/zinc/98/90/19/456989019.db2.gz QYZLHSLEBHUXFK-LSDHHAIUSA-N -1 3 344.411 3.287 20 5 EGBDHM Cc1cc2sc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)nc2cc1F ZINC000360933044 457443559 /nfs/dbraw/zinc/44/35/59/457443559.db2.gz ICCLAIGHUGLYIZ-UHFFFAOYSA-N -1 3 348.315 3.005 20 5 EGBDHM CCOc1cc(-c2noc(-c3ccccc3[N+](=O)[O-])n2)ccc1[O-] ZINC000445427283 458048183 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EGBDHM CC[C@H](C)C(=O)Nc1cccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC000596080908 459512672 /nfs/dbraw/zinc/51/26/72/459512672.db2.gz PLRKSGXLFCOSAG-NSHDSACASA-N -1 3 344.371 3.292 20 5 EGBDHM O=c1[n-]ccc(NC[C@H]2CCCO[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000596091424 459516227 /nfs/dbraw/zinc/51/62/27/459516227.db2.gz ZLHIYYOPYFSHNU-CZUORRHYSA-N -1 3 329.356 3.275 20 5 EGBDHM CC(C)(C)OC(=O)Cc1cccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC000596142501 459534471 /nfs/dbraw/zinc/53/44/71/459534471.db2.gz MVCFFFSWXJSVKV-UHFFFAOYSA-N -1 3 345.355 3.323 20 5 EGBDHM CC[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)[O-] ZINC000592423088 459598828 /nfs/dbraw/zinc/59/88/28/459598828.db2.gz KDVHDIYIVRPRRA-ZDUSSCGKSA-N -1 3 338.747 3.461 20 5 EGBDHM Cc1cc(NC[C@@H]2N(C)CCCC2(C)C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000563213387 459740434 /nfs/dbraw/zinc/74/04/34/459740434.db2.gz VYNNYQUYWGWQKA-HNNXBMFYSA-N -1 3 335.404 3.134 20 5 EGBDHM Cc1oc([C@@H](C)N(C)CCc2ccccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC000573864657 459748020 /nfs/dbraw/zinc/74/80/20/459748020.db2.gz UZOXLKLDKZAYJG-LLVKDONJSA-N -1 3 332.356 3.430 20 5 EGBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCC[C@H](C)[C@H]1C ZINC000603660691 460331833 /nfs/dbraw/zinc/33/18/33/460331833.db2.gz IAWHCFUANKWOFO-CYZMBNFOSA-N -1 3 326.418 3.006 20 5 EGBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000603660692 460331858 /nfs/dbraw/zinc/33/18/58/460331858.db2.gz IAWHCFUANKWOFO-KGYLQXTDSA-N -1 3 326.418 3.006 20 5 EGBDHM CCn1nc(C)c([N+](=O)[O-])c1[N-]c1ccn([C@@H](C)c2ccccc2)n1 ZINC000619485434 460368573 /nfs/dbraw/zinc/36/85/73/460368573.db2.gz TXWXZMVKFOGXDF-ZDUSSCGKSA-N -1 3 340.387 3.091 20 5 EGBDHM CC(C)(C)OCc1cc(C(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)no1 ZINC000347993140 534989130 /nfs/dbraw/zinc/98/91/30/534989130.db2.gz VZJDSOZIMCDEFO-UHFFFAOYSA-N -1 3 337.307 3.289 20 5 EGBDHM Cc1c(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000737211018 576136796 /nfs/dbraw/zinc/13/67/96/576136796.db2.gz JWWMDOMOYWEDSB-UHFFFAOYSA-N -1 3 344.762 3.349 20 5 EGBDHM Cc1c(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000737211018 576136799 /nfs/dbraw/zinc/13/67/99/576136799.db2.gz JWWMDOMOYWEDSB-UHFFFAOYSA-N -1 3 344.762 3.349 20 5 EGBDHM CN(Cc1ccccc1[N+](=O)[O-])c1c(Cl)cccc1-c1nnn[n-]1 ZINC000821615785 599471572 /nfs/dbraw/zinc/47/15/72/599471572.db2.gz NKCPLWQPNKHVFZ-UHFFFAOYSA-N -1 3 344.762 3.065 20 5 EGBDHM CN(Cc1ccccc1[N+](=O)[O-])c1c(Cl)cccc1-c1nn[n-]n1 ZINC000821615785 599471575 /nfs/dbraw/zinc/47/15/75/599471575.db2.gz NKCPLWQPNKHVFZ-UHFFFAOYSA-N -1 3 344.762 3.065 20 5 EGBDHM CCS[C@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821457713 606105742 /nfs/dbraw/zinc/10/57/42/606105742.db2.gz ZRZWNZZTHSGVLZ-OCCSQVGLSA-N -1 3 348.432 3.251 20 5 EGBDHM CCS[C@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821457713 606105744 /nfs/dbraw/zinc/10/57/44/606105744.db2.gz ZRZWNZZTHSGVLZ-OCCSQVGLSA-N -1 3 348.432 3.251 20 5 EGBDHM COc1ccc(CSc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000821824935 607012035 /nfs/dbraw/zinc/01/20/35/607012035.db2.gz RBGGMBXMWYGMEZ-UHFFFAOYSA-N -1 3 343.368 3.076 20 5 EGBDHM COc1ccc(CSc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000821824935 607012037 /nfs/dbraw/zinc/01/20/37/607012037.db2.gz RBGGMBXMWYGMEZ-UHFFFAOYSA-N -1 3 343.368 3.076 20 5 EGBDHM O=[N+]([O-])c1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1OC(F)F ZINC000826499825 608169426 /nfs/dbraw/zinc/16/94/26/608169426.db2.gz ZFUQXUIZOHWUOG-UHFFFAOYSA-N -1 3 349.253 3.169 20 5 EGBDHM O=[N+]([O-])c1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1OC(F)F ZINC000826499825 608169429 /nfs/dbraw/zinc/16/94/29/608169429.db2.gz ZFUQXUIZOHWUOG-UHFFFAOYSA-N -1 3 349.253 3.169 20 5 EGBDHM O=[N+]([O-])c1ccc(Cl)c([N-]S(=O)(=O)c2cccc(F)c2)c1 ZINC000139806435 1293845845 /nfs/dbraw/zinc/84/58/45/1293845845.db2.gz VYOWIYGXWLYUFU-UHFFFAOYSA-N -1 3 330.724 3.188 20 5 EGBDHM Cc1ccc(CC(=O)[N-]OCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000747834492 1298868339 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3.352 20 5 EGBDHM CC(=C\c1cccc([N+](=O)[O-])c1)/C=C1\C(=O)[N-]C(=O)c2ccccc21 ZINC000787169395 1305700211 /nfs/dbraw/zinc/70/02/11/1305700211.db2.gz OKNWFNZJOQKXDU-YZXVBUGESA-N -1 3 334.331 3.352 20 5 EGBDHM CC(C)[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000788540667 1305965535 /nfs/dbraw/zinc/96/55/35/1305965535.db2.gz TUIQWYHDPVUWCI-ROUUACIJSA-N -1 3 330.384 3.148 20 5 EGBDHM COc1c([O-])ccc(CNCC(F)(F)c2ccccc2)c1[N+](=O)[O-] ZINC000893958193 1306146922 /nfs/dbraw/zinc/14/69/22/1306146922.db2.gz ZGRUDWBLNUGUOZ-UHFFFAOYSA-N -1 3 338.310 3.191 20 5 EGBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000800052388 1310665192 /nfs/dbraw/zinc/66/51/92/1310665192.db2.gz UKWQDHBKYWEDLT-UHFFFAOYSA-N -1 3 342.323 3.123 20 5 EGBDHM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1c(C)c([N+](=O)[O-])ccc1F ZINC000800145252 1310682221 /nfs/dbraw/zinc/68/22/21/1310682221.db2.gz GHOCHBWWBUQABE-UHFFFAOYSA-N -1 3 349.274 3.211 20 5 EGBDHM CC(C)[C@@]1(C(=O)[O-])CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 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3 341.370 3.009 20 5 EGBDHM C[C@@H]1Cc2cc(Nc3cc([O-])cc([N+](=O)[O-])c3)ccc2N(C)C1=O ZINC001201231998 1369500573 /nfs/dbraw/zinc/50/05/73/1369500573.db2.gz NRQBCQQCSZQSDI-SNVBAGLBSA-N -1 3 327.340 3.199 20 5 EGBDHM O=[N+]([O-])c1ccc(Nc2cc(Br)cc(F)c2[O-])cn1 ZINC001203580664 1370178145 /nfs/dbraw/zinc/17/81/45/1370178145.db2.gz PNMSHBJKRPRDTI-UHFFFAOYSA-N -1 3 328.097 3.341 20 5 EGBDHM COc1c(C)cc(-c2noc(-c3c[n-]c(=O)c([N+](=O)[O-])c3)n2)cc1C ZINC001212844416 1372783426 /nfs/dbraw/zinc/78/34/26/1372783426.db2.gz SHXGWWCDDQATFM-UHFFFAOYSA-N -1 3 342.311 3.038 20 5 EGBDHM O=c1[n-]cc(-c2nc(-c3ccc4scnc4c3)no2)cc1[N+](=O)[O-] ZINC001212844135 1372783729 /nfs/dbraw/zinc/78/37/29/1372783729.db2.gz KHEXSHNHMRRZCK-UHFFFAOYSA-N -1 3 341.308 3.022 20 5 EGBDHM CC(C)[C@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)C(=O)OC(C)(C)C ZINC001227746557 1375470320 /nfs/dbraw/zinc/47/03/20/1375470320.db2.gz TXOZBCPWLIFDDA-ZDUSSCGKSA-N -1 3 335.360 3.216 20 5 EGBDHM 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O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cccc([O-])c1F ZINC000534944557 314007456 /nfs/dbraw/zinc/00/74/56/314007456.db2.gz FSPDKRNXPOVEEC-UHFFFAOYSA-N -1 3 329.287 3.033 20 5 EGBDHM Cc1ccc(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])c([O-])c1 ZINC000540609539 314392425 /nfs/dbraw/zinc/39/24/25/314392425.db2.gz RSCLDNUPAKGEOD-UHFFFAOYSA-N -1 3 330.340 3.325 20 5 EGBDHM O=C([N-]c1nc(C=Cc2ccccc2)cs1)c1c[nH]nc1[N+](=O)[O-] ZINC000548937431 315064583 /nfs/dbraw/zinc/06/45/83/315064583.db2.gz KUPLJOLGNJGUIS-VOTSOKGWSA-N -1 3 341.352 3.197 20 5 EGBDHM Cc1cc(NC[C@H](c2ccsc2)N(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565661117 316353255 /nfs/dbraw/zinc/35/32/55/316353255.db2.gz QYBWVJKETROKQY-CQSZACIVSA-N -1 3 349.412 3.378 20 5 EGBDHM O=C([N-]c1ncc(Cc2ccccc2)s1)c1ccc([N+](=O)[O-])o1 ZINC000043943644 454084131 /nfs/dbraw/zinc/08/41/31/454084131.db2.gz YMSFCBDGGBWSNM-UHFFFAOYSA-N -1 3 329.337 3.487 20 5 EGBDHM Cc1ccc(-c2nnc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)[n-]2)o1 ZINC000160175285 455435424 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O=C([N-]OC1CCCC1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000271767071 455752527 /nfs/dbraw/zinc/75/25/27/455752527.db2.gz FBXIIRKHERAVNN-UHFFFAOYSA-N -1 3 331.275 3.192 20 5 EGBDHM CCO[C@@H](CNCc1cc(OC)c([O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000194460393 455845008 /nfs/dbraw/zinc/84/50/08/455845008.db2.gz PIGNJVJIAUVUBW-SFHVURJKSA-N -1 3 346.383 3.176 20 5 EGBDHM Cc1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)ccc1[O-] ZINC000272647055 456024972 /nfs/dbraw/zinc/02/49/72/456024972.db2.gz MHZCXMDQKOJNFV-UHFFFAOYSA-N -1 3 326.352 3.414 20 5 EGBDHM O=C(Nc1ccccc1)[C@@H]([N-]c1ncc([N+](=O)[O-])cn1)c1ccccc1 ZINC000302171359 456306882 /nfs/dbraw/zinc/30/68/82/456306882.db2.gz UUFGXPUVAPDDPP-INIZCTEOSA-N -1 3 349.350 3.177 20 5 EGBDHM O=C([N-]c1cc(F)ccc1SCC(F)F)c1cc([N+](=O)[O-])n[nH]1 ZINC000353281932 456607830 /nfs/dbraw/zinc/60/78/30/456607830.db2.gz DLHXJYXHHQNAAC-UHFFFAOYSA-N -1 3 346.290 3.067 20 5 EGBDHM O=C([O-])CCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000340677198 456616679 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20 5 EGBDHM CCN(CCNc1cc(C)ccc1[N+](=O)[O-])C(=O)c1ccccc1[O-] ZINC001106695074 1366774952 /nfs/dbraw/zinc/77/49/52/1366774952.db2.gz OFOPXOOLWHDMLA-UHFFFAOYSA-N -1 3 343.383 3.183 20 5 EGBDHM Cc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)n(C(=O)OC(C)(C)C)n1 ZINC001199802505 1369275040 /nfs/dbraw/zinc/27/50/40/1369275040.db2.gz SNFUCJGFYLFXCY-UHFFFAOYSA-N -1 3 334.332 3.332 20 5 EGBDHM CCOC(=O)c1cc(Nc2cc([O-])c(F)cc2F)cc([N+](=O)[O-])c1 ZINC001211371434 1372542477 /nfs/dbraw/zinc/54/24/77/1372542477.db2.gz NVNDNDWZTUHBHZ-UHFFFAOYSA-N -1 3 338.266 3.499 20 5 EGBDHM C[C@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1cccc(N(C)C)c1 ZINC001227691743 1375461523 /nfs/dbraw/zinc/46/15/23/1375461523.db2.gz PZRIMJBPGQOWRC-JTQLQIEISA-N -1 3 327.344 3.072 20 5 EGBDHM O=c1c2ccc([O-])cc2oc2cc(O[C@H]3CN4CCC3CC4)ccc21 ZINC001229515853 1375849651 /nfs/dbraw/zinc/84/96/51/1375849651.db2.gz IAKSXPVKRPTORP-IBGZPJMESA-N -1 3 337.375 3.125 20 5 EGBDHM Cc1nc(O[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)c(C)c(=O)[n-]1 ZINC001229687392 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CCSCC[C@@H](C)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000360204554 167270945 /nfs/dbraw/zinc/27/09/45/167270945.db2.gz WUEGVJHAJOZXGK-LLVKDONJSA-N -1 3 346.474 3.022 20 5 EGBDHM COc1cc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)ccc1[N+](=O)[O-] ZINC000186328615 274091480 /nfs/dbraw/zinc/09/14/80/274091480.db2.gz CSGPANHEBIYWPD-NSHDSACASA-N -1 3 342.351 3.463 20 5 EGBDHM O=C1[N-]C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc21 ZINC000015661971 275021552 /nfs/dbraw/zinc/02/15/52/275021552.db2.gz SDQJVRPFYDVMIX-GHXNOFRVSA-N -1 3 328.711 3.059 20 5 EGBDHM O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCCc2cccc([O-])c21 ZINC000413673656 309042499 /nfs/dbraw/zinc/04/24/99/309042499.db2.gz UHSXPLZSHUBKAZ-JKSUJKDBSA-N -1 3 338.363 3.383 20 5 EGBDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nc3ccccc3s2)c1 ZINC000067295900 307365243 /nfs/dbraw/zinc/36/52/43/307365243.db2.gz YUZVGWOAGWKKDN-UHFFFAOYSA-N -1 3 329.337 3.465 20 5 EGBDHM COc1ccc([O-])c(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1 ZINC000159385563 307873077 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EGBDHM CC(C)C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000262718757 456056009 /nfs/dbraw/zinc/05/60/09/456056009.db2.gz UEGLHXLFTUYHGJ-AWEZNQCLSA-N -1 3 349.412 3.307 20 5 EGBDHM COc1cc(CNc2ccc3c(C)nn(C)c3c2)c([N+](=O)[O-])cc1[O-] ZINC000361061151 457554698 /nfs/dbraw/zinc/55/46/98/457554698.db2.gz OZSCSSLUWKDXAV-UHFFFAOYSA-N -1 3 342.355 3.116 20 5 EGBDHM COc1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c([O-])c1 ZINC000443560623 457780599 /nfs/dbraw/zinc/78/05/99/457780599.db2.gz RECRFXOWVARVLN-UHFFFAOYSA-N -1 3 343.339 3.136 20 5 EGBDHM Cc1noc(C)c1[N-]C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431930523 458648353 /nfs/dbraw/zinc/64/83/53/458648353.db2.gz HHDXMROHQHBBJQ-UHFFFAOYSA-N -1 3 340.133 3.214 20 5 EGBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000462724635 458648669 /nfs/dbraw/zinc/64/86/69/458648669.db2.gz XYVIYSXIJHIXFG-MELADBBJSA-N -1 3 338.429 3.150 20 5 EGBDHM Cc1cc(F)cc(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)c1 ZINC000439147854 458662086 /nfs/dbraw/zinc/66/20/86/458662086.db2.gz PGBQGRCYNLSXTO-UHFFFAOYSA-N -1 3 340.314 3.107 20 5 EGBDHM Cc1cc(NC[C@H]2CCCCN2C2CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000577283219 459011280 /nfs/dbraw/zinc/01/12/80/459011280.db2.gz PEBNCHIHRLVBNY-CQSZACIVSA-N -1 3 333.388 3.030 20 5 EGBDHM CCC[C@H](CC)[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594752490 459152005 /nfs/dbraw/zinc/15/20/05/459152005.db2.gz PYHWUQJOBGIQAV-NSHDSACASA-N -1 3 337.401 3.000 20 5 EGBDHM Cc1ccc(S(=O)(=O)[N-]Cc2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000523773237 459331731 /nfs/dbraw/zinc/33/17/31/459331731.db2.gz ZEDRUGWLJQKCDR-UHFFFAOYSA-N -1 3 346.364 3.128 20 5 EGBDHM O=c1[n-]ccc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000596132552 459530762 /nfs/dbraw/zinc/53/07/62/459530762.db2.gz ZEROVRLKPBBLRH-UHFFFAOYSA-N -1 3 345.199 3.017 20 5 EGBDHM O=c1[n-]ccc(N[C@@H]2CCCN(c3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC000596135851 459532201 /nfs/dbraw/zinc/53/22/01/459532201.db2.gz BXQPWVKTVWQEMF-LLVKDONJSA-N -1 3 348.790 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ZINC000736205423 575914832 /nfs/dbraw/zinc/91/48/32/575914832.db2.gz VYSKSQZQEYRAAY-SNVBAGLBSA-N -1 3 342.334 3.111 20 5 EGBDHM C[C@H](c1ccccc1F)N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736205423 575914834 /nfs/dbraw/zinc/91/48/34/575914834.db2.gz VYSKSQZQEYRAAY-SNVBAGLBSA-N -1 3 342.334 3.111 20 5 EGBDHM O=[N+]([O-])c1ccc(Sc2ccc(-c3nnn[n-]3)cc2F)c(F)c1 ZINC000823644053 599059171 /nfs/dbraw/zinc/05/91/71/599059171.db2.gz DZDDKTZQWSAPQI-UHFFFAOYSA-N -1 3 335.295 3.204 20 5 EGBDHM O=[N+]([O-])c1ccc(Sc2ccc(-c3nn[n-]n3)cc2F)c(F)c1 ZINC000823644053 599059173 /nfs/dbraw/zinc/05/91/73/599059173.db2.gz DZDDKTZQWSAPQI-UHFFFAOYSA-N -1 3 335.295 3.204 20 5 EGBDHM CCS[C@@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821453684 606400448 /nfs/dbraw/zinc/40/04/48/606400448.db2.gz BHTLFKQECFNUPM-NWDGAFQWSA-N -1 3 348.432 3.251 20 5 EGBDHM CCS[C@@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821453684 606400450 /nfs/dbraw/zinc/40/04/50/606400450.db2.gz BHTLFKQECFNUPM-NWDGAFQWSA-N -1 3 348.432 3.251 20 5 EGBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1cccc(F)c1F ZINC000824648976 608304479 /nfs/dbraw/zinc/30/44/79/608304479.db2.gz KADBOYLBFGYBER-QMMMGPOBSA-N -1 3 346.297 3.226 20 5 EGBDHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1cccc(F)c1F ZINC000824648976 608304481 /nfs/dbraw/zinc/30/44/81/608304481.db2.gz KADBOYLBFGYBER-QMMMGPOBSA-N -1 3 346.297 3.226 20 5 EGBDHM CC(C)(C)c1ccc2c(c1)CCN2C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000195226214 1296047374 /nfs/dbraw/zinc/04/73/74/1296047374.db2.gz PSEZESBNXURNAV-UHFFFAOYSA-N -1 3 341.367 3.196 20 5 EGBDHM Cc1noc(C)c1[N-]C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000751108759 1299510362 /nfs/dbraw/zinc/51/03/62/1299510362.db2.gz LQZZLEDMXPNYHP-UHFFFAOYSA-N -1 3 340.133 3.214 20 5 EGBDHM O=C([N-]c1cccc(F)n1)c1sc(Br)cc1[N+](=O)[O-] ZINC000784825834 1305285896 /nfs/dbraw/zinc/28/58/96/1305285896.db2.gz PINIIFVIIQBXSE-UHFFFAOYSA-N -1 3 346.137 3.205 20 5 EGBDHM Cc1onc(OC(F)F)c1[N-]C(=O)c1cccc([N+](=O)[O-])c1C ZINC000788110440 1305866680 /nfs/dbraw/zinc/86/66/80/1305866680.db2.gz GQKTXVVIIKMMLF-UHFFFAOYSA-N -1 3 327.243 3.053 20 5 EGBDHM Cc1ccc(F)cc1S(=O)(=O)[N-]c1c(C)c([N+](=O)[O-])ccc1F ZINC000800051510 1310662964 /nfs/dbraw/zinc/66/29/64/1310662964.db2.gz MMADGQWRYYNQLZ-UHFFFAOYSA-N -1 3 342.323 3.291 20 5 EGBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)c1cccc2nn[n-]c21 ZINC000800207665 1310702063 /nfs/dbraw/zinc/70/20/63/1310702063.db2.gz BFNUVAMQUDIQRA-JTQLQIEISA-N -1 3 326.312 3.093 20 5 EGBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)c1cccc2[n-]nnc21 ZINC000800207665 1310702070 /nfs/dbraw/zinc/70/20/70/1310702070.db2.gz BFNUVAMQUDIQRA-JTQLQIEISA-N -1 3 326.312 3.093 20 5 EGBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)c1cccc2n[n-]nc21 ZINC000800207665 1310702080 /nfs/dbraw/zinc/70/20/80/1310702080.db2.gz BFNUVAMQUDIQRA-JTQLQIEISA-N -1 3 326.312 3.093 20 5 EGBDHM Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853692124 1325148964 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EGBDHM Cc1cc2[n-]c(OC[C@H]3Cc4ccccc4O3)nc2cc1[N+](=O)[O-] ZINC001228675769 1375636791 /nfs/dbraw/zinc/63/67/91/1375636791.db2.gz SWKXVSIYALVOIA-GFCCVEGCSA-N -1 3 325.324 3.162 20 5 EGBDHM Cc1[n-]c(=O)cc(O[C@H]2C[C@H](OCc3ccccc3)C2)c1[N+](=O)[O-] ZINC001228688509 1375641015 /nfs/dbraw/zinc/64/10/15/1375641015.db2.gz JOKPDPOVHAWCQT-HDJSIYSDSA-N -1 3 330.340 3.130 20 5 EGBDHM Cc1nc(NC(=O)c2ccc3oc4ccccc4c(=O)c3c2)cc(=O)[n-]1 ZINC001153414637 1380074066 /nfs/dbraw/zinc/07/40/66/1380074066.db2.gz APYKZJZIKNVSPV-UHFFFAOYSA-N -1 3 347.330 3.003 20 5 EGBDHM O=C([N-]CCNc1nc2ccccc2c2ccccc21)C(F)(F)F ZINC001164251190 1383171182 /nfs/dbraw/zinc/17/11/82/1383171182.db2.gz PKPHNHFJEGVPQT-UHFFFAOYSA-N -1 3 333.313 3.478 20 5 EGBDHM C[C@@](NCc1ccc([N+](=O)[O-])c(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC001603250698 972420838 /nfs/dbraw/zinc/42/08/38/972420838.db2.gz GWSBPOSTGRDZFO-INIZCTEOSA-N -1 3 334.759 3.338 20 5 EGBDHM C[C@](NCc1ccc(Cl)c([N+](=O)[O-])c1)(C(=O)[O-])c1ccccc1 ZINC001573631129 959554929 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3.071 20 5 EGBDHM Cc1cc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)ccc1[O-] ZINC000354746081 166021726 /nfs/dbraw/zinc/02/17/26/166021726.db2.gz UYWFVNIBHHFSBN-KRWDZBQOSA-N -1 3 344.392 3.497 20 5 EGBDHM O=C([N-]c1cc(-c2cc(F)cc(F)c2)[nH]n1)c1ccc([N+](=O)[O-])o1 ZINC000343903910 164062433 /nfs/dbraw/zinc/06/24/33/164062433.db2.gz GMMBIBDZGHPIGU-UHFFFAOYSA-N -1 3 334.238 3.108 20 5 EGBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1csc2ccccc21 ZINC000351673310 165128103 /nfs/dbraw/zinc/12/81/03/165128103.db2.gz KWQQTZBUAFWKHN-UHFFFAOYSA-N -1 3 348.405 3.288 20 5 EGBDHM O=C([N-]c1ncc(-c2ccccn2)s1)c1ccc([N+](=O)[O-])s1 ZINC000359413567 167149086 /nfs/dbraw/zinc/14/90/86/167149086.db2.gz KWZFGGWYVFPAJL-UHFFFAOYSA-N -1 3 332.366 3.427 20 5 EGBDHM COc1cc(CNc2cnc3c(c2)CCCC3)c([N+](=O)[O-])cc1[O-] ZINC000359823286 167241420 /nfs/dbraw/zinc/24/14/20/167241420.db2.gz TXFZPDMNCVITTF-UHFFFAOYSA-N -1 3 329.356 3.195 20 5 EGBDHM COc1ccc(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c([O-])c1 ZINC000175458813 265115696 /nfs/dbraw/zinc/11/56/96/265115696.db2.gz OSPGMKSALSZEMS-LLVKDONJSA-N -1 3 330.340 3.108 20 5 EGBDHM Cc1ccc(CS(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)c(F)c1 ZINC000194638763 266134003 /nfs/dbraw/zinc/13/40/03/266134003.db2.gz OSWKZAVLNQETEE-UHFFFAOYSA-N -1 3 338.360 3.293 20 5 EGBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000067116675 307364686 /nfs/dbraw/zinc/36/46/86/307364686.db2.gz GTFZRCTVXOSJIQ-UHFFFAOYSA-N -1 3 342.323 3.236 20 5 EGBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2c(F)cccc2F)c1C ZINC000160903144 307895896 /nfs/dbraw/zinc/89/58/96/307895896.db2.gz QDQZJGPNOHWRJE-UHFFFAOYSA-N -1 3 342.323 3.291 20 5 EGBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CCC(F)(F)CC2)c1C ZINC000330557013 308796262 /nfs/dbraw/zinc/79/62/62/308796262.db2.gz ZWBPRXSXMJQJKQ-UHFFFAOYSA-N -1 3 348.371 3.068 20 5 EGBDHM O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1[O-] ZINC000436702113 309769297 /nfs/dbraw/zinc/76/92/97/309769297.db2.gz GUYHEAWKTYHZFO-UHFFFAOYSA-N -1 3 340.257 3.249 20 5 EGBDHM COc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c([O-])c1 ZINC000442705487 309884940 /nfs/dbraw/zinc/88/49/40/309884940.db2.gz VGATXOVWAUVKRG-UHFFFAOYSA-N -1 3 328.280 3.308 20 5 EGBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000449519291 310068770 /nfs/dbraw/zinc/06/87/70/310068770.db2.gz PSINCBXTNMIRSX-WBVHZDCISA-N -1 3 332.400 3.082 20 5 EGBDHM CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000462706602 310604388 /nfs/dbraw/zinc/60/43/88/310604388.db2.gz SPEZZBHDMWWUBZ-GWCFXTLKSA-N -1 3 328.434 3.315 20 5 EGBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000478162749 310855548 /nfs/dbraw/zinc/85/55/48/310855548.db2.gz KVOQUGPEWYOOEV-ZDUSSCGKSA-N -1 3 334.397 3.251 20 5 EGBDHM CCCCn1c(=O)[n-]nc1SCc1c(F)cc([N+](=O)[O-])cc1F ZINC000505449686 312022874 /nfs/dbraw/zinc/02/28/74/312022874.db2.gz SLQIBZHCUXMBBC-UHFFFAOYSA-N -1 3 344.343 3.263 20 5 EGBDHM CCN(C(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21)c1ccc(F)c(F)c1 ZINC000505532736 312025570 /nfs/dbraw/zinc/02/55/70/312025570.db2.gz HGYSUYFCMGVGGR-UHFFFAOYSA-N -1 3 346.293 3.416 20 5 EGBDHM Cc1ccc(S(=O)(=O)[N-]C2CC(C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000555406868 315382333 /nfs/dbraw/zinc/38/23/33/315382333.db2.gz DMMJPUSKKRESMB-UHFFFAOYSA-N -1 3 326.418 3.006 20 5 EGBDHM CC(C)c1scnc1[N-]C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000564256540 316128267 /nfs/dbraw/zinc/12/82/67/316128267.db2.gz BMVMHNTZEVSFOX-UHFFFAOYSA-N -1 3 349.368 3.198 20 5 EGBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)C1=CCCCCC1 ZINC000569749851 316958140 /nfs/dbraw/zinc/95/81/40/316958140.db2.gz RBUOUACECDZDDK-UHFFFAOYSA-N -1 3 326.356 3.236 20 5 EGBDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc(F)c(F)c(F)c1F ZINC000003166622 452746538 /nfs/dbraw/zinc/74/65/38/452746538.db2.gz IDBVQBCTXSGVKG-UHFFFAOYSA-N -1 3 344.220 3.412 20 5 EGBDHM CCCC[C@@H](CC)C[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000028048494 453822095 /nfs/dbraw/zinc/82/20/95/453822095.db2.gz KJQWLSNHEFLNJA-GFCCVEGCSA-N -1 3 344.433 3.098 20 5 EGBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000029939612 453832757 /nfs/dbraw/zinc/83/27/57/453832757.db2.gz PNCVAUWLNWEMSP-SNVBAGLBSA-N -1 3 340.788 3.288 20 5 EGBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc([O-])cc1F ZINC000097083425 454402329 /nfs/dbraw/zinc/40/23/29/454402329.db2.gz QYZZGUMSHDHRBT-UHFFFAOYSA-N -1 3 329.287 3.102 20 5 EGBDHM Cc1cccc([O-])c1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000183015211 455209681 /nfs/dbraw/zinc/20/96/81/455209681.db2.gz UHNRQWHYMTUBOF-UHFFFAOYSA-N -1 3 325.324 3.271 20 5 EGBDHM O=C(Cc1ccc([O-])cc1Cl)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000158850656 455332759 /nfs/dbraw/zinc/33/27/59/455332759.db2.gz UKZGCUKBLGJMIZ-UHFFFAOYSA-N -1 3 346.770 3.081 20 5 EGBDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc(COC(C)(C)C)on1 ZINC000184818932 455453297 /nfs/dbraw/zinc/45/32/97/455453297.db2.gz ODOZQYOTJHFSII-UHFFFAOYSA-N -1 3 349.343 3.159 20 5 EGBDHM COc1cccc(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])c1[O-] ZINC000352874281 456381629 /nfs/dbraw/zinc/38/16/29/456381629.db2.gz ZLHKCCACTCEJGZ-UHFFFAOYSA-N -1 3 334.353 3.283 20 5 EGBDHM Cc1ccc(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c([O-])c1C ZINC000282463084 456522075 /nfs/dbraw/zinc/52/20/75/456522075.db2.gz JYSXAGJDNIBZLF-UHFFFAOYSA-N -1 3 328.368 3.232 20 5 EGBDHM CCSc1ccc(Cl)cc1[N-]C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000352575427 457478376 /nfs/dbraw/zinc/47/83/76/457478376.db2.gz BHBJZIQBQFZMDT-UHFFFAOYSA-N -1 3 326.765 3.336 20 5 EGBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC1CCC(C)CC1 ZINC000352725047 457562171 /nfs/dbraw/zinc/56/21/71/457562171.db2.gz LEBAKXHBOYDJGN-UHFFFAOYSA-N -1 3 326.418 3.008 20 5 EGBDHM Cn1ccnc1[C@H]([N-]c1ncc([N+](=O)[O-])s1)c1ccccc1F ZINC000374498708 457641967 /nfs/dbraw/zinc/64/19/67/457641967.db2.gz YPLNWDCWRKUWOH-GFCCVEGCSA-N -1 3 333.348 3.125 20 5 EGBDHM COc1cc(-c2noc(-c3ccc(C)c([N+](=O)[O-])c3)n2)ccc1[O-] ZINC000436782792 458379888 /nfs/dbraw/zinc/37/98/88/458379888.db2.gz CWNMLPZRWYLFKT-UHFFFAOYSA-N -1 3 327.296 3.334 20 5 EGBDHM Cc1ccc(-c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)c([O-])c1C ZINC000436995832 458419484 /nfs/dbraw/zinc/41/94/84/458419484.db2.gz FGMUVKWIHRDMFC-UHFFFAOYSA-N -1 3 326.312 3.216 20 5 EGBDHM CCc1cc(NC([O-])=C(C)C(F)(F)F)c2cc([N+](=O)[O-])ccc2n1 ZINC000462619074 458636748 /nfs/dbraw/zinc/63/67/48/458636748.db2.gz OTUQPYRLSBSFSG-MRVPVSSYSA-N -1 3 341.289 3.264 20 5 EGBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(F)c2F)c1C ZINC000520769027 459093219 /nfs/dbraw/zinc/09/32/19/459093219.db2.gz WBFNWGYWHABLSP-UHFFFAOYSA-N -1 3 342.323 3.291 20 5 EGBDHM O=[N+]([O-])c1ccc([N-]c2cc3n(n2)CCCC3)nc1-c1ccccc1 ZINC000561449225 459453389 /nfs/dbraw/zinc/45/33/89/459453389.db2.gz HMAGXIFUHMXWOR-UHFFFAOYSA-N -1 3 335.367 3.355 20 5 EGBDHM O=c1[n-]ccc(N2CCC(CCc3ccc(O)cc3)CC2)c1[N+](=O)[O-] ZINC000596064678 459506810 /nfs/dbraw/zinc/50/68/10/459506810.db2.gz GXOJVGPGARDFEN-UHFFFAOYSA-N -1 3 343.383 3.250 20 5 EGBDHM Cc1ccc2[nH]c3c(c2c1)C[C@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])CC3 ZINC000596184565 459552419 /nfs/dbraw/zinc/55/24/19/459552419.db2.gz BWDFCVDJOQTLFN-LLVKDONJSA-N -1 3 338.367 3.455 20 5 EGBDHM O=c1[n-]ccc(N2CCC(Cc3ccc(F)c(F)c3)CC2)c1[N+](=O)[O-] ZINC000596193138 459556413 /nfs/dbraw/zinc/55/64/13/459556413.db2.gz BSLDBLLCVZHFEW-UHFFFAOYSA-N -1 3 349.337 3.433 20 5 EGBDHM O=c1[n-]ccc(N2CCC(Cc3cc(F)cc(F)c3)CC2)c1[N+](=O)[O-] ZINC000596261631 459578264 /nfs/dbraw/zinc/57/82/64/459578264.db2.gz SDCDERZFOICHDR-UHFFFAOYSA-N -1 3 349.337 3.433 20 5 EGBDHM O=C([O-])c1coc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000583946000 459623822 /nfs/dbraw/zinc/62/38/22/459623822.db2.gz MJNNKNKOPKYTOK-ZDUSSCGKSA-N -1 3 330.340 3.266 20 5 EGBDHM O=c1[n-]ccc(N2CCC[C@H](c3ccc(F)c(F)c3)C2)c1[N+](=O)[O-] ZINC000599116479 460164807 /nfs/dbraw/zinc/16/48/07/460164807.db2.gz FFNBRCPWFGUAPO-NSHDSACASA-N -1 3 335.310 3.358 20 5 EGBDHM COc1cc(C(=O)[N-]c2cnccc2SC)cc([N+](=O)[O-])c1C ZINC000616365593 460537606 /nfs/dbraw/zinc/53/76/06/460537606.db2.gz DZJPNTMYIJRRHD-UHFFFAOYSA-N -1 3 333.369 3.281 20 5 EGBDHM Cc1cccc2c1CC[C@@H]2Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737408603 576222722 /nfs/dbraw/zinc/22/27/22/576222722.db2.gz KHBQARRYYZVFBF-AWEZNQCLSA-N -1 3 336.355 3.183 20 5 EGBDHM Cc1cccc2c1CC[C@@H]2Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737408603 576222724 /nfs/dbraw/zinc/22/27/24/576222724.db2.gz KHBQARRYYZVFBF-AWEZNQCLSA-N -1 3 336.355 3.183 20 5 EGBDHM O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]2C2CCCCC2)c(-c2nnn[n-]2)c1 ZINC000738368926 576318854 /nfs/dbraw/zinc/31/88/54/576318854.db2.gz FQSBWYWQBSWQER-SWLSCSKDSA-N -1 3 328.376 3.156 20 5 EGBDHM O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]2C2CCCCC2)c(-c2nn[n-]n2)c1 ZINC000738368926 576318856 /nfs/dbraw/zinc/31/88/56/576318856.db2.gz FQSBWYWQBSWQER-SWLSCSKDSA-N -1 3 328.376 3.156 20 5 EGBDHM CC[C@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C(C)C ZINC000820925066 599492850 /nfs/dbraw/zinc/49/28/50/599492850.db2.gz CSDGVQAVNVECOX-ZDUSSCGKSA-N -1 3 341.375 3.170 20 5 EGBDHM CC[C@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C(C)C ZINC000820925066 599492853 /nfs/dbraw/zinc/49/28/53/599492853.db2.gz CSDGVQAVNVECOX-ZDUSSCGKSA-N -1 3 341.375 3.170 20 5 EGBDHM CCS[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821457714 606105677 /nfs/dbraw/zinc/10/56/77/606105677.db2.gz ZRZWNZZTHSGVLZ-TZMCWYRMSA-N -1 3 348.432 3.251 20 5 EGBDHM CCS[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821457714 606105678 /nfs/dbraw/zinc/10/56/78/606105678.db2.gz ZRZWNZZTHSGVLZ-TZMCWYRMSA-N -1 3 348.432 3.251 20 5 EGBDHM O=[N+]([O-])c1cc(CNc2ccc(F)c(-c3nnn[n-]3)c2)ccc1Cl ZINC000823635335 606986759 /nfs/dbraw/zinc/98/67/59/606986759.db2.gz VZMRDJBRGPDMPD-UHFFFAOYSA-N -1 3 348.725 3.180 20 5 EGBDHM O=[N+]([O-])c1cc(CNc2ccc(F)c(-c3nn[n-]n3)c2)ccc1Cl ZINC000823635335 606986760 /nfs/dbraw/zinc/98/67/60/606986760.db2.gz VZMRDJBRGPDMPD-UHFFFAOYSA-N -1 3 348.725 3.180 20 5 EGBDHM CCc1ccc(OCc2cc(F)ccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821486822 607039456 /nfs/dbraw/zinc/03/94/56/607039456.db2.gz NDDBRFKSOOUOQX-UHFFFAOYSA-N 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ZINC000124956954 1293490435 /nfs/dbraw/zinc/49/04/35/1293490435.db2.gz HMRDZQSSAJCHDB-UHFFFAOYSA-N -1 3 348.265 3.278 20 5 EGBDHM COc1ccc(-c2ccc(C=Cc3nccc(=O)[n-]3)o2)c([N+](=O)[O-])c1 ZINC000131767313 1293700453 /nfs/dbraw/zinc/70/04/53/1293700453.db2.gz IRQLEENRTKXQEL-QPJJXVBHSA-N -1 3 339.307 3.117 20 5 EGBDHM Cc1cc(=O)[n-]c(CSCc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000782247002 1304939627 /nfs/dbraw/zinc/93/96/27/1304939627.db2.gz XGEWIXHBCXGQAB-UHFFFAOYSA-N -1 3 325.777 3.486 20 5 EGBDHM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1Cl ZINC000788217694 1305898107 /nfs/dbraw/zinc/89/81/07/1305898107.db2.gz UGKDXSNZQOYGDW-UHFFFAOYSA-N -1 3 348.714 3.327 20 5 EGBDHM COc1c([O-])ccc(CN(C)Cc2c(F)cccc2F)c1[N+](=O)[O-] ZINC000894630411 1308988668 /nfs/dbraw/zinc/98/86/68/1308988668.db2.gz BKTNLMUCYWDOKJ-UHFFFAOYSA-N -1 3 338.310 3.219 20 5 EGBDHM CCOc1ccc(NCc2ccc([O-])c(OC)c2[N+](=O)[O-])c(F)c1 ZINC000894941223 1309130567 /nfs/dbraw/zinc/13/05/67/1309130567.db2.gz ZAGPCQMLXXGSEW-UHFFFAOYSA-N 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GGINNWCSYJIOAK-QGZVFWFLSA-N -1 3 346.408 3.406 20 5 EGBDHM COc1cccc([C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C(=O)[O-])c1 ZINC001599659236 994630777 /nfs/dbraw/zinc/63/07/77/994630777.db2.gz JGWWITGHKJHHQV-ZBEGNZNMSA-N -1 3 330.340 3.080 20 5 EGBDHM COc1ccc([N-]C(=O)c2ncccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000092296082 218133703 /nfs/dbraw/zinc/13/37/03/218133703.db2.gz SOWYYISLCAGPKQ-UHFFFAOYSA-N -1 3 341.245 3.270 20 5 EGBDHM O=C(Nc1nc2c(s1)CCCCCC2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187007152 144149711 /nfs/dbraw/zinc/14/97/11/144149711.db2.gz CYWPYKNSALQEGF-UHFFFAOYSA-N -1 3 348.384 3.063 20 5 EGBDHM CSc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1Cl ZINC000187162735 144153360 /nfs/dbraw/zinc/15/33/60/144153360.db2.gz JHXWCNMSECDFFV-UHFFFAOYSA-N -1 3 339.760 3.323 20 5 EGBDHM COc1cc(CNc2cc(C(F)(F)F)ccn2)c([N+](=O)[O-])cc1[O-] ZINC000192148640 153245704 /nfs/dbraw/zinc/24/57/04/153245704.db2.gz UKPGCDKFXSXIHS-UHFFFAOYSA-N -1 3 343.261 3.335 20 5 EGBDHM CCOc1nc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2[n-]1 ZINC000345634875 164231225 /nfs/dbraw/zinc/23/12/25/164231225.db2.gz UBOVLVBJJSUMOP-UHFFFAOYSA-N -1 3 326.312 3.122 20 5 EGBDHM CCOc1nc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2[n-]1 ZINC000345634875 164231226 /nfs/dbraw/zinc/23/12/26/164231226.db2.gz UBOVLVBJJSUMOP-UHFFFAOYSA-N -1 3 326.312 3.122 20 5 EGBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)CCC2CC2)c1C ZINC000346034511 164323083 /nfs/dbraw/zinc/32/30/83/164323083.db2.gz GFUUWBPLUGUVGR-LLVKDONJSA-N -1 3 326.418 3.069 20 5 EGBDHM C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)c2c([O-])cccc21 ZINC000186261133 265521727 /nfs/dbraw/zinc/52/17/27/265521727.db2.gz MFRMXMVVCWYLOE-JTQLQIEISA-N -1 3 327.340 3.037 20 5 EGBDHM Cc1cccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1[O-] ZINC000154695530 307798809 /nfs/dbraw/zinc/79/88/09/307798809.db2.gz YQUHGVUJDUNCRH-UHFFFAOYSA-N -1 3 326.352 3.414 20 5 EGBDHM O=[N+]([O-])c1cnc([N-]c2cnn(CC(F)F)c2)c(C(F)(F)F)c1 ZINC000413147890 309018208 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OTGHMPYVHJYOJZ-KRWDZBQOSA-N -1 3 344.392 3.497 20 5 EGBDHM CC(C)Oc1cc(C(=O)[N-]c2nnc(C3CC3)s2)ccc1[N+](=O)[O-] ZINC000571048283 317144408 /nfs/dbraw/zinc/14/44/08/317144408.db2.gz MYCCWUGYNDPJBZ-UHFFFAOYSA-N -1 3 348.384 3.363 20 5 EGBDHM Cc1cccc([O-])c1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000183082107 455224959 /nfs/dbraw/zinc/22/49/59/455224959.db2.gz SXQINNCRDYOCEZ-UHFFFAOYSA-N -1 3 338.323 3.047 20 5 EGBDHM CCC(CC)c1nnc([N-]C(=O)c2c(N)cccc2[N+](=O)[O-])s1 ZINC000180690159 455228496 /nfs/dbraw/zinc/22/84/96/455228496.db2.gz GBGPSMSYXYIZLN-UHFFFAOYSA-N -1 3 335.389 3.184 20 5 EGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)cc1 ZINC000006316455 452934943 /nfs/dbraw/zinc/93/49/43/452934943.db2.gz XJQYHPWDSSZUHH-UHFFFAOYSA-N -1 3 330.724 3.188 20 5 EGBDHM Cc1ccc(CS(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1F ZINC000184211923 455362143 /nfs/dbraw/zinc/36/21/43/455362143.db2.gz ILWCEBOWYKCTTQ-UHFFFAOYSA-N -1 3 338.360 3.293 20 5 EGBDHM O=C([N-]c1cc(N2CCCC2=O)ccc1Cl)c1ccc([N+](=O)[O-])o1 ZINC000041929596 453985125 /nfs/dbraw/zinc/98/51/25/453985125.db2.gz GSGAGZGXZLBADB-UHFFFAOYSA-N -1 3 349.730 3.220 20 5 EGBDHM CCCc1[nH]nc(C(=O)[N-]c2nc3ccc(C)cc3s2)c1[N+](=O)[O-] ZINC000069155514 454083187 /nfs/dbraw/zinc/08/31/87/454083187.db2.gz PENBOHSXRRLOER-UHFFFAOYSA-N -1 3 345.384 3.441 20 5 EGBDHM Cc1cc([N-]C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)no1 ZINC000050553965 454589574 /nfs/dbraw/zinc/58/95/74/454589574.db2.gz NDSBCTGELWNSHT-UHFFFAOYSA-N -1 3 330.325 3.267 20 5 EGBDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2cc(F)c(OC)cc2F)c1 ZINC000124747184 454766774 /nfs/dbraw/zinc/76/67/74/454766774.db2.gz VUKOTLZPEOIVDU-UHFFFAOYSA-N -1 3 338.266 3.143 20 5 EGBDHM CC1(C)CC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000162697354 454794562 /nfs/dbraw/zinc/79/45/62/454794562.db2.gz OLMJBENIYVQAOJ-SNVBAGLBSA-N -1 3 332.809 3.105 20 5 EGBDHM COc1cc(CN[C@H]2CCOc3c(F)cccc32)c([N+](=O)[O-])cc1[O-] ZINC000191128956 455449059 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CN(CC(=O)Nc1cc(Cl)ccc1[O-])c1ccccc1[N+](=O)[O-] ZINC000175613730 265125998 /nfs/dbraw/zinc/12/59/98/265125998.db2.gz DLHLBWNZGQXWRC-UHFFFAOYSA-N -1 3 335.747 3.029 20 5 EGBDHM CCOc1ccccc1N(C)C(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000127615946 307587541 /nfs/dbraw/zinc/58/75/41/307587541.db2.gz SAJASPCKXCVHLJ-UHFFFAOYSA-N -1 3 340.339 3.146 20 5 EGBDHM COc1ccc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1[N+](=O)[O-] ZINC000417627214 309214879 /nfs/dbraw/zinc/21/48/79/309214879.db2.gz OBOUICAUXOBCJF-GJZGRUSLSA-N -1 3 342.351 3.006 20 5 EGBDHM COc1cc(-c2noc(-c3ccc([N+](=O)[O-])c(C)c3)n2)ccc1[O-] ZINC000436787040 309774009 /nfs/dbraw/zinc/77/40/09/309774009.db2.gz GPFMDXGVUUJBFQ-UHFFFAOYSA-N -1 3 327.296 3.334 20 5 EGBDHM Cc1ccc(F)c([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1 ZINC000481973041 310924348 /nfs/dbraw/zinc/92/43/48/310924348.db2.gz OOSCOUVYDOSXMN-UHFFFAOYSA-N -1 3 338.360 3.460 20 5 EGBDHM CCc1cc(=O)[n-]c(CSCc2c(F)cc([N+](=O)[O-])cc2F)n1 ZINC000507098226 312058689 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ZINC000056118095 454038561 /nfs/dbraw/zinc/03/85/61/454038561.db2.gz NUTQJZFEPAZULL-LLVKDONJSA-N -1 3 338.360 3.082 20 5 EGBDHM Cc1c([N-]S(=O)(=O)Cc2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000059291760 454256011 /nfs/dbraw/zinc/25/60/11/454256011.db2.gz PGLFTBKNHLZFKL-UHFFFAOYSA-N -1 3 340.788 3.499 20 5 EGBDHM Cc1ccccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000047543238 454383575 /nfs/dbraw/zinc/38/35/75/454383575.db2.gz SZNOQIPFXZRVSS-UHFFFAOYSA-N -1 3 340.788 3.035 20 5 EGBDHM Cc1cc(C(=O)[N-]c2nnc(-c3ccco3)s2)cc([N+](=O)[O-])c1 ZINC000147474682 454864814 /nfs/dbraw/zinc/86/48/14/454864814.db2.gz TVNHHLWLSRLQMY-UHFFFAOYSA-N -1 3 330.325 3.267 20 5 EGBDHM Cc1cccc([O-])c1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000179542626 455057328 /nfs/dbraw/zinc/05/73/28/455057328.db2.gz LDMQLOQXRNYWDW-UHFFFAOYSA-N -1 3 338.323 3.047 20 5 EGBDHM COc1ccc(Cn2ccc([N-]c3cc(C)c([N+](=O)[O-])cn3)n2)cc1 ZINC000302452504 456345204 /nfs/dbraw/zinc/34/52/04/456345204.db2.gz SJLSBXGBPIFGIF-UHFFFAOYSA-N -1 3 339.355 3.295 20 5 EGBDHM COc1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)ccc1[O-] ZINC000276186868 456407655 /nfs/dbraw/zinc/40/76/55/456407655.db2.gz LDNLMABNEUSHOM-UHFFFAOYSA-N -1 3 344.367 3.360 20 5 EGBDHM COc1cc(CNCc2ccc(CSC)cc2)c([N+](=O)[O-])cc1[O-] ZINC000353095093 456485614 /nfs/dbraw/zinc/48/56/14/456485614.db2.gz WSMLOYWYLSDCHD-UHFFFAOYSA-N -1 3 348.424 3.462 20 5 EGBDHM CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000303170599 456449961 /nfs/dbraw/zinc/44/99/61/456449961.db2.gz JCTWQMQIIAGJIP-OAHLLOKOSA-N -1 3 348.424 3.203 20 5 EGBDHM COC(=O)c1c(C)csc1[N-]C(=O)c1csc([N+](=O)[O-])c1 ZINC000344940088 456871679 /nfs/dbraw/zinc/87/16/79/456871679.db2.gz KELPIAFNNJWQRT-UHFFFAOYSA-N -1 3 326.355 3.065 20 5 EGBDHM CC[C@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])N(CC)CC ZINC000349665545 457010683 /nfs/dbraw/zinc/01/06/83/457010683.db2.gz XTOUJLUKYXRSPH-LLVKDONJSA-N -1 3 329.784 3.013 20 5 EGBDHM COc1ccc([N-]C(=O)c2cc(-c3ccco3)on2)cc1[N+](=O)[O-] ZINC000359962714 457173314 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CC(C)c1cccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000820196797 599285922 /nfs/dbraw/zinc/28/59/22/599285922.db2.gz CSOHUSMTNDEOGZ-UHFFFAOYSA-N -1 3 325.332 3.037 20 5 EGBDHM CC(C)c1cccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000820196797 599285923 /nfs/dbraw/zinc/28/59/23/599285923.db2.gz CSOHUSMTNDEOGZ-UHFFFAOYSA-N -1 3 325.332 3.037 20 5 EGBDHM CC[C@@](C)([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000768838841 1302992508 /nfs/dbraw/zinc/99/25/08/1302992508.db2.gz XJXLNGYFSSVBMH-CQSZACIVSA-N -1 3 340.426 3.260 20 5 EGBDHM Cc1c([N+](=O)[O-])cc(C(=O)[N-]c2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000066280583 1292110443 /nfs/dbraw/zinc/11/04/43/1292110443.db2.gz KVNWVGJIVWDQED-UHFFFAOYSA-N -1 3 337.238 3.342 20 5 EGBDHM COc1ccc(Cl)c([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000120215856 1293310144 /nfs/dbraw/zinc/31/01/44/1293310144.db2.gz NQYMZFDVAPGWLW-UHFFFAOYSA-N -1 3 348.789 3.119 20 5 EGBDHM O=[N+]([O-])c1ccc(Cl)c([N-]S(=O)(=O)Cc2ccccc2F)c1 ZINC000192673505 1295787996 /nfs/dbraw/zinc/78/79/96/1295787996.db2.gz IKFRJUTUOZOANB-UHFFFAOYSA-N -1 3 344.751 3.329 20 5 EGBDHM CCc1noc2ncc(C(=O)[N-]c3cc([N+](=O)[O-])c(F)cc3F)cc12 ZINC000194705242 1296000708 /nfs/dbraw/zinc/00/07/08/1296000708.db2.gz DMWBDZDJIFDVDX-UHFFFAOYSA-N -1 3 348.265 3.224 20 5 EGBDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1nc(Cl)ccc1F ZINC000759768459 1301157880 /nfs/dbraw/zinc/15/78/80/1301157880.db2.gz GXZXZQFZYYRLDD-UHFFFAOYSA-N -1 3 325.683 3.043 20 5 EGBDHM O=C(OCc1c(F)cccc1[N+](=O)[O-])c1cccc(Cl)c1[O-] ZINC000775931703 1304063319 /nfs/dbraw/zinc/06/33/19/1304063319.db2.gz AHNUEBHTKAGIMK-UHFFFAOYSA-N -1 3 325.679 3.450 20 5 EGBDHM CSCCO[N-]C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897623530 1310413351 /nfs/dbraw/zinc/41/33/51/1310413351.db2.gz SQGXRFRBHYGRIA-UHFFFAOYSA-N -1 3 343.163 3.065 20 5 EGBDHM CCc1ccc(C(=O)[N-]c2c(C)onc2OC(F)F)cc1[N+](=O)[O-] ZINC000839338713 1320905980 /nfs/dbraw/zinc/90/59/80/1320905980.db2.gz CZVBTCMEDKRROZ-UHFFFAOYSA-N -1 3 341.270 3.307 20 5 EGBDHM CCOC(=O)c1nc(C2CC2)oc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199818487 1369277035 /nfs/dbraw/zinc/27/70/35/1369277035.db2.gz BODMZGIIRIGOJJ-UHFFFAOYSA-N -1 3 333.300 3.086 20 5 EGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(N3CCC(O)CC3)cc2)c1 ZINC001201222534 1369498510 /nfs/dbraw/zinc/49/85/10/1369498510.db2.gz OICSIVUGOSQUHD-UHFFFAOYSA-N -1 3 329.356 3.005 20 5 EGBDHM O=C1c2cc(Nc3cc([O-])cc([N+](=O)[O-])c3)ccc2CN1C1CC1 ZINC001201233218 1369501877 /nfs/dbraw/zinc/50/18/77/1369501877.db2.gz ZPBJDXXZDFKFPM-UHFFFAOYSA-N -1 3 325.324 3.162 20 5 EGBDHM COc1ccc(OC(C)C)c(COc2nccc([O-])c2[N+](=O)[O-])c1 ZINC001225667121 1375140667 /nfs/dbraw/zinc/14/06/67/1375140667.db2.gz PTZQAZATMOXHST-UHFFFAOYSA-N -1 3 334.328 3.070 20 5 EGBDHM C[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])c1ncc(C(F)(F)F)cc1F ZINC001225664520 1375140687 /nfs/dbraw/zinc/14/06/87/1375140687.db2.gz PSTQHKCDYRHGDM-ZCFIWIBFSA-N -1 3 347.224 3.388 20 5 EGBDHM O=[N+]([O-])c1ccc2c(c1)C[C@H](Oc1[n-]c(=S)ncc1C1CC1)C2 ZINC001226116389 1375206269 /nfs/dbraw/zinc/20/62/69/1375206269.db2.gz BTEAJNVIVLPKPK-CYBMUJFWSA-N -1 3 329.381 3.097 20 5 EGBDHM Cc1ccnc(N2CCC(Oc3cc([N+](=O)[O-])c(C)cc3[O-])CC2)c1 ZINC001229754818 1375887166 /nfs/dbraw/zinc/88/71/66/1375887166.db2.gz SBWBMXKMDXIEKO-UHFFFAOYSA-N -1 3 343.383 3.360 20 5 EGBDHM O=[N+]([O-])c1cc(NCc2ncccc2[O-])ccc1OC(F)(F)F ZINC001169733525 1384180638 /nfs/dbraw/zinc/18/06/38/1384180638.db2.gz XYARIIRYBRNBLA-UHFFFAOYSA-N -1 3 329.234 3.206 20 5 EGBDHM C[C@]1(C(=O)[O-])CCCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000901696370 980453055 /nfs/dbraw/zinc/45/30/55/980453055.db2.gz AWVHSLNTWAVGNB-AWEZNQCLSA-N -1 3 346.305 3.300 20 5 EGBDHM CCOc1cc(CN(C)[C@H](C(=O)[O-])c2ccccc2)ccc1[N+](=O)[O-] ZINC001597032975 986459195 /nfs/dbraw/zinc/45/91/95/986459195.db2.gz JDCGHCPHQUXSCH-KRWDZBQOSA-N -1 3 344.367 3.251 20 5 EGBDHM C[C@@](NC/C=C\c1cccc(F)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593255915 994518252 /nfs/dbraw/zinc/51/82/52/994518252.db2.gz FJLCHQYRVCBZPA-SUZKBHRPSA-N -1 3 344.342 3.337 20 5 EGBDHM CC[C@H](C)Oc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000193455963 240170913 /nfs/dbraw/zinc/17/09/13/240170913.db2.gz SLYGTTSAZBJXHM-JTQLQIEISA-N -1 3 331.328 3.125 20 5 EGBDHM Cc1onc(-c2ccccn2)c1C(=O)[N-]c1cc(F)cc([N+](=O)[O-])c1 ZINC000347979946 141227874 /nfs/dbraw/zinc/22/78/74/141227874.db2.gz MQZNLHMUVDMDIF-UHFFFAOYSA-N -1 3 342.286 3.345 20 5 EGBDHM CSCCCCC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000185976656 144123169 /nfs/dbraw/zinc/12/31/69/144123169.db2.gz YHZIDTUTWHHDDB-UHFFFAOYSA-N -1 3 346.474 3.023 20 5 EGBDHM Cc1cccc(-c2cnc([N-]C(=O)c3n[nH]cc3[N+](=O)[O-])s2)c1 ZINC000345992659 164312527 /nfs/dbraw/zinc/31/25/27/164312527.db2.gz JBTQMRLKLDXRQP-UHFFFAOYSA-N -1 3 329.341 3.002 20 5 EGBDHM COc1cc(C=Cc2cc(=O)[n-]c(C3CC3)n2)c([N+](=O)[O-])cc1OC ZINC000352022155 165195066 /nfs/dbraw/zinc/19/50/66/165195066.db2.gz VTELTASMHWQVGA-AATRIKPKSA-N -1 3 343.339 3.155 20 5 EGBDHM COC(=O)c1cccc([N-]C(=O)c2ccc([N+](=O)[O-])s2)c1Cl ZINC000352081192 165224975 /nfs/dbraw/zinc/22/49/75/165224975.db2.gz DIRWIJFSHMMGEL-UHFFFAOYSA-N -1 3 340.744 3.349 20 5 EGBDHM Cc1ncsc1[N-]C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000355966456 166362010 /nfs/dbraw/zinc/36/20/10/166362010.db2.gz XJQQTAPKQZFWSP-UHFFFAOYSA-N -1 3 348.203 3.436 20 5 EGBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)CCCC(C)C)c([N+](=O)[O-])c1 ZINC000023390763 264587834 /nfs/dbraw/zinc/58/78/34/264587834.db2.gz OYZVXHAVNPKFEW-LBPRGKRZSA-N -1 3 344.433 3.097 20 5 EGBDHM COc1cccc(C(=O)[N-]c2cc(F)c(F)cc2F)c1[N+](=O)[O-] ZINC000194298401 266104770 /nfs/dbraw/zinc/10/47/70/266104770.db2.gz HOUIVNLDYCKIBD-UHFFFAOYSA-N -1 3 326.230 3.273 20 5 EGBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000032585545 275123473 /nfs/dbraw/zinc/12/34/73/275123473.db2.gz JTJDOGWURMOHQR-UHFFFAOYSA-N -1 3 326.761 3.357 20 5 EGBDHM COC(=O)c1cc([N-]C(=O)c2nc(C(C)C)oc2C)cc([N+](=O)[O-])c1 ZINC000285600331 275894107 /nfs/dbraw/zinc/89/41/07/275894107.db2.gz WNQAAUWVXSWJTI-UHFFFAOYSA-N -1 3 347.327 3.054 20 5 EGBDHM CCOc1cc([N-]C(=O)c2cccnc2F)c([N+](=O)[O-])cc1OCC ZINC000288316395 276201098 /nfs/dbraw/zinc/20/10/98/276201098.db2.gz CXDWGLBGJONRHU-UHFFFAOYSA-N -1 3 349.318 3.179 20 5 EGBDHM CCc1ncc(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)s1 ZINC000065051954 307358148 /nfs/dbraw/zinc/35/81/48/307358148.db2.gz NXJLXSBNPBYZAK-UHFFFAOYSA-N -1 3 349.368 3.027 20 5 EGBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2c(C)cccc2F)c1C ZINC000160832367 307895300 /nfs/dbraw/zinc/89/53/00/307895300.db2.gz GVCNXHVXYNYIFX-UHFFFAOYSA-N -1 3 338.360 3.460 20 5 EGBDHM COc1ccc(-c2ccc(CN[C@@H](C)[C@@H](C)C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000417613862 309213908 /nfs/dbraw/zinc/21/39/08/309213908.db2.gz QXJUYJRNCKKKTL-MNOVXSKESA-N -1 3 348.355 3.062 20 5 EGBDHM COC(=O)c1cc([N-]C(=O)c2ccoc2Cl)c(C)c([N+](=O)[O-])c1 ZINC000433897848 309699083 /nfs/dbraw/zinc/69/90/83/309699083.db2.gz RZWNGNFEAFFRBV-UHFFFAOYSA-N -1 3 338.703 3.189 20 5 EGBDHM COc1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c([O-])c1 ZINC000442698672 309884767 /nfs/dbraw/zinc/88/47/67/309884767.db2.gz GUADPAANXSXJAC-UHFFFAOYSA-N -1 3 330.340 3.225 20 5 EGBDHM O=C(Cc1ccc([O-])c(F)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000450313942 310114799 /nfs/dbraw/zinc/11/47/99/310114799.db2.gz SEYVMAIJQPPEHT-UHFFFAOYSA-N -1 3 344.342 3.173 20 5 EGBDHM Cc1csc(S(=O)(=O)[N-][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000451283787 310169609 /nfs/dbraw/zinc/16/96/09/310169609.db2.gz GQGZYQKBSLCPDN-LLVKDONJSA-N -1 3 340.426 3.313 20 5 EGBDHM CCc1[n-][nH]c(=NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1C ZINC000465428818 310632221 /nfs/dbraw/zinc/63/22/21/310632221.db2.gz MUFMUSJTXJFAIF-UHFFFAOYSA-N -1 3 330.369 3.078 20 5 EGBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000467086807 310668201 /nfs/dbraw/zinc/66/82/01/310668201.db2.gz UPIVZCPSIPQOID-SNVBAGLBSA-N -1 3 340.426 3.047 20 5 EGBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)CCC(C)(C)C ZINC000522973175 312606293 /nfs/dbraw/zinc/60/62/93/312606293.db2.gz MDNZACPITORDRD-LBPRGKRZSA-N -1 3 328.434 3.396 20 5 EGBDHM CC(C)(C)CCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000523520349 312624411 /nfs/dbraw/zinc/62/44/11/312624411.db2.gz PUQKXGVWPOSJAE-UHFFFAOYSA-N -1 3 334.825 3.353 20 5 EGBDHM Cc1c([N-]c2nc3c(cc2[N+](=O)[O-])CCCC3)cnn1[C@@H]1CCOC1 ZINC000566794206 316527830 /nfs/dbraw/zinc/52/78/30/316527830.db2.gz UDDJZJMRZLIINS-CYBMUJFWSA-N -1 3 343.387 3.079 20 5 EGBDHM CN(C)[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1ccsc1 ZINC000570877139 317119954 /nfs/dbraw/zinc/11/99/54/317119954.db2.gz DVOMITHKYLKWMZ-CQSZACIVSA-N -1 3 335.385 3.069 20 5 EGBDHM CCCc1coc([N-]C(=O)c2cc(OCC)c(OC)cc2[N+](=O)[O-])n1 ZINC000574820820 317639750 /nfs/dbraw/zinc/63/97/50/317639750.db2.gz SBUDKRBFIZBOGN-UHFFFAOYSA-N -1 3 349.343 3.195 20 5 EGBDHM Cc1cc(S(=O)(=O)[N-]c2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000172181674 323272269 /nfs/dbraw/zinc/27/22/69/323272269.db2.gz JXZWGULMUODJCZ-UHFFFAOYSA-N -1 3 326.761 3.357 20 5 EGBDHM CCOc1cc(CN2[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000600674953 460565215 /nfs/dbraw/zinc/56/52/15/460565215.db2.gz NDACJEDARVJVDS-DABQJJPHSA-N -1 3 336.388 3.067 20 5 EGBDHM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000006316283 452935791 /nfs/dbraw/zinc/93/57/91/452935791.db2.gz ZUCCRZBHERCUIT-UHFFFAOYSA-N -1 3 326.761 3.357 20 5 EGBDHM CSc1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000028064598 453822054 /nfs/dbraw/zinc/82/20/54/453822054.db2.gz VVKAJLYYNFQKMY-UHFFFAOYSA-N -1 3 328.353 3.445 20 5 EGBDHM CCCc1[nH]nc(C(=O)[N-]c2nc3c(s2)CCCCC3)c1[N+](=O)[O-] ZINC000069461244 454108287 /nfs/dbraw/zinc/10/82/87/454108287.db2.gz AWAHHQIREUQQDF-UHFFFAOYSA-N -1 3 349.416 3.248 20 5 EGBDHM O=C([N-]c1nc2cc(F)c(F)cc2s1)c1ccc([N+](=O)[O-])o1 ZINC000069968131 454161307 /nfs/dbraw/zinc/16/13/07/454161307.db2.gz IUKQPOJQTZYECQ-UHFFFAOYSA-N -1 3 325.252 3.328 20 5 EGBDHM O=[N+]([O-])c1ccc(-c2nc(C[S@](=O)c3ccc([O-])cc3)co2)cc1 ZINC000089586801 454163817 /nfs/dbraw/zinc/16/38/17/454163817.db2.gz AMLMIXKTEGMTFZ-XMMPIXPASA-N -1 3 344.348 3.263 20 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O=[N+]([O-])c1ccc(CCNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000738361055 576317956 /nfs/dbraw/zinc/31/79/56/576317956.db2.gz UCUCALMJBKOSQT-UHFFFAOYSA-N -1 3 344.762 3.083 20 5 EGBDHM COc1ccc(CSc2ccc([N+](=O)[O-])cc2)cc1-c1nnn[n-]1 ZINC000826207999 607983974 /nfs/dbraw/zinc/98/39/74/607983974.db2.gz OFVLAWXDMFPALB-UHFFFAOYSA-N -1 3 343.368 3.076 20 5 EGBDHM COc1ccc(CSc2ccc([N+](=O)[O-])cc2)cc1-c1nn[n-]n1 ZINC000826207999 607983975 /nfs/dbraw/zinc/98/39/75/607983975.db2.gz OFVLAWXDMFPALB-UHFFFAOYSA-N -1 3 343.368 3.076 20 5 EGBDHM O=C(COC(=O)c1cc(Cl)c(Cl)[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000828610589 1292483968 /nfs/dbraw/zinc/48/39/68/1292483968.db2.gz NKHIFQNPEFBZLM-UHFFFAOYSA-N -1 3 343.122 3.269 20 5 EGBDHM Cc1cccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1Cl ZINC000120273498 1293313536 /nfs/dbraw/zinc/31/35/36/1293313536.db2.gz ZIQXICPTOWVBBQ-UHFFFAOYSA-N -1 3 332.790 3.419 20 5 EGBDHM COc1ccc([N+](=O)[O-])cc1OC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000193383589 1295860793 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344.302 3.232 20 5 EGBDHM COc1ccc([O-])c(C(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000857664374 1328578867 /nfs/dbraw/zinc/57/88/67/1328578867.db2.gz BSBYBTKTXNUAAE-UHFFFAOYSA-N -1 3 342.351 3.292 20 5 EGBDHM CCCCC[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000917877160 1319885513 /nfs/dbraw/zinc/88/55/13/1319885513.db2.gz WEDDFJHOHRFSRN-SNVBAGLBSA-N -1 3 334.825 3.495 20 5 EGBDHM COc1cc(CNc2ccc3c(c2)C[C@@H](C)O3)c([N+](=O)[O-])cc1[O-] ZINC000922910085 1322646795 /nfs/dbraw/zinc/64/67/95/1322646795.db2.gz UWALGIOHZLEJIW-SNVBAGLBSA-N -1 3 330.340 3.245 20 5 EGBDHM CCc1ccccc1[C@H](CC(=O)[O-])NCc1cccc([N+](=O)[O-])c1 ZINC000864527020 1329622525 /nfs/dbraw/zinc/62/25/25/1329622525.db2.gz AOWCAIIDJAUXSP-KRWDZBQOSA-N -1 3 328.368 3.463 20 5 EGBDHM Cc1cc2cc3ccc(N(C)C)cc3nc2cc1NC(=O)c1cnn[n-]1 ZINC001189351804 1367000010 /nfs/dbraw/zinc/00/00/10/1367000010.db2.gz MQVJRUYMYJIILK-UHFFFAOYSA-N -1 3 346.394 3.133 20 5 EGBDHM Cc1cc2cc3ccc(N(C)C)cc3nc2cc1NC(=O)c1c[n-]nn1 ZINC001189351804 1367000016 /nfs/dbraw/zinc/00/00/16/1367000016.db2.gz MQVJRUYMYJIILK-UHFFFAOYSA-N -1 3 346.394 3.133 20 5 EGBDHM Cc1cc2cc3ccc(N(C)C)cc3nc2cc1NC(=O)c1cn[n-]n1 ZINC001189351804 1367000022 /nfs/dbraw/zinc/00/00/22/1367000022.db2.gz MQVJRUYMYJIILK-UHFFFAOYSA-N -1 3 346.394 3.133 20 5 EGBDHM COC(=O)c1sc2ncccc2c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199802436 1369274805 /nfs/dbraw/zinc/27/48/05/1369274805.db2.gz PBLZQERHBXSBLJ-UHFFFAOYSA-N -1 3 345.336 3.440 20 5 EGBDHM COc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)cnc1Br ZINC001199814367 1369276092 /nfs/dbraw/zinc/27/60/92/1369276092.db2.gz HQVDHXGCOBPYRO-UHFFFAOYSA-N -1 3 340.133 3.210 20 5 EGBDHM O=C1NC(=O)c2ccc(Nc3cc([O-])cc([N+](=O)[O-])c3)c3cccc1c32 ZINC001201223593 1369498640 /nfs/dbraw/zinc/49/86/40/1369498640.db2.gz CQTHCMHQXPBKEK-UHFFFAOYSA-N -1 3 349.302 3.081 20 5 EGBDHM O=[N+]([O-])c1ccccc1[N-]c1nccn2c(Br)cnc12 ZINC001206145125 1370971071 /nfs/dbraw/zinc/97/10/71/1370971071.db2.gz XSKGVMXDFVHRKH-UHFFFAOYSA-N -1 3 334.133 3.144 20 5 EGBDHM O=c1[n-]cc(-c2nc(-c3cccc(Cl)c3F)no2)cc1[N+](=O)[O-] ZINC001212844011 1372783696 /nfs/dbraw/zinc/78/36/96/1372783696.db2.gz IKMIIXSYSHCCHN-UHFFFAOYSA-N -1 3 336.666 3.205 20 5 EGBDHM CCCOc1ccc(-c2noc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2)cc1 ZINC001212937305 1372799606 /nfs/dbraw/zinc/79/96/06/1372799606.db2.gz XTQBITSURSRBLZ-UHFFFAOYSA-N -1 3 342.311 3.201 20 5 EGBDHM C[C@H](Oc1[n-]c(=O)nc2nc(Cl)ccc21)c1ccccc1[N+](=O)[O-] ZINC001226555348 1375281158 /nfs/dbraw/zinc/28/11/58/1375281158.db2.gz CBHXVPCDWVHGGZ-QMMMGPOBSA-N -1 3 346.730 3.432 20 5 EGBDHM Cc1cc2[n-]c(OC[C@H]3CC[C@@]4(CCCCO4)O3)nc2cc1[N+](=O)[O-] ZINC001228673606 1375637328 /nfs/dbraw/zinc/63/73/28/1375637328.db2.gz HMHIEWQSPBNPGA-SJKOYZFVSA-N -1 3 347.371 3.234 20 5 EGBDHM C[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820410340 1444001725 /nfs/dbraw/zinc/00/17/25/1444001725.db2.gz DRIBVWYYMAJJFS-VXGBXAGGSA-N -1 3 338.371 3.187 20 5 EGBDHM C[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820410340 1444001726 /nfs/dbraw/zinc/00/17/26/1444001726.db2.gz DRIBVWYYMAJJFS-VXGBXAGGSA-N -1 3 338.371 3.187 20 5 EGBDHM CCOc1cc(CN(C)[C@@H](C(=O)[O-])c2ccccc2)ccc1[N+](=O)[O-] ZINC001597032980 986459152 /nfs/dbraw/zinc/45/91/52/986459152.db2.gz JDCGHCPHQUXSCH-QGZVFWFLSA-N -1 3 344.367 3.251 20 5 EGBDHM C[C@H](NCc1c(F)cccc1[N+](=O)[O-])[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593285976 994641506 /nfs/dbraw/zinc/64/15/06/994641506.db2.gz MTCNUCWNNRISCF-JSGCOSHPSA-N -1 3 346.358 3.156 20 5 EGBDHM CC[C@@H](C)Oc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000193455953 240170285 /nfs/dbraw/zinc/17/02/85/240170285.db2.gz SLYGTTSAZBJXHM-SNVBAGLBSA-N -1 3 331.328 3.125 20 5 EGBDHM CC1(C)CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000162697230 152786374 /nfs/dbraw/zinc/78/63/74/152786374.db2.gz OLMJBENIYVQAOJ-JTQLQIEISA-N -1 3 332.809 3.105 20 5 EGBDHM Cc1cc(-c2csc([N-]C(=O)c3n[nH]cc3[N+](=O)[O-])n2)ccc1F ZINC000344280155 164145774 /nfs/dbraw/zinc/14/57/74/164145774.db2.gz OLZZHUZPWFUZIU-UHFFFAOYSA-N -1 3 347.331 3.141 20 5 EGBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)CCCc1ccc([O-])c(F)c1 ZINC000344426885 164176896 /nfs/dbraw/zinc/17/68/96/164176896.db2.gz XVDLTBLLOGTSBX-UHFFFAOYSA-N -1 3 346.358 3.421 20 5 EGBDHM CCC(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000162692004 275196484 /nfs/dbraw/zinc/19/64/84/275196484.db2.gz IUGPOPOJRCZROL-UHFFFAOYSA-N -1 3 340.323 3.081 20 5 EGBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1OC(F)F)c1ncc(F)cc1F ZINC000192177690 275223562 /nfs/dbraw/zinc/22/35/62/275223562.db2.gz VDMXRGPJKBVJGX-UHFFFAOYSA-N -1 3 345.208 3.122 20 5 EGBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1(C)CCC(C)CC1 ZINC000355956534 302047417 /nfs/dbraw/zinc/04/74/17/302047417.db2.gz POKSDRDPAUOXKS-UHFFFAOYSA-N -1 3 326.418 3.150 20 5 EGBDHM Cc1sc(S(=O)(=O)[N-]c2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000163922150 307925218 /nfs/dbraw/zinc/92/52/18/307925218.db2.gz DSSOFXFZYGLUHK-UHFFFAOYSA-N -1 3 334.325 3.044 20 5 EGBDHM Cc1ccc([C@@H](C)NCc2nc(=O)c3sccc3[n-]2)cc1[N+](=O)[O-] ZINC000298800118 308641049 /nfs/dbraw/zinc/64/10/49/308641049.db2.gz DVAIDWXVJBSRGR-SNVBAGLBSA-N -1 3 344.396 3.464 20 5 EGBDHM O=C(Nc1cccc(CN2CCCCC2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000298946673 308650580 /nfs/dbraw/zinc/65/05/80/308650580.db2.gz JLPQCTKQVDNDMZ-UHFFFAOYSA-N -1 3 328.372 3.161 20 5 EGBDHM Cc1ccc(S(=O)(=O)[N-]C2CCC(C(F)F)CC2)c([N+](=O)[O-])c1 ZINC000416560272 309173556 /nfs/dbraw/zinc/17/35/56/309173556.db2.gz LNYOECDIVUQCMR-UHFFFAOYSA-N -1 3 348.371 3.005 20 5 EGBDHM CCOc1ccc([N+](=O)[O-])cc1CN[C@H](CCC(C)(C)C)C(=O)[O-] ZINC000417640348 309215564 /nfs/dbraw/zinc/21/55/64/309215564.db2.gz XOMZBJJJOSTLNB-CQSZACIVSA-N -1 3 338.404 3.363 20 5 EGBDHM COc1cc(-c2noc(-c3ccc(F)cc3[N+](=O)[O-])n2)ccc1[O-] ZINC000436737373 309771409 /nfs/dbraw/zinc/77/14/09/309771409.db2.gz IUKFLVUWHOJBGT-UHFFFAOYSA-N -1 3 331.259 3.165 20 5 EGBDHM CC(C)CC1(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)CC1 ZINC000443272518 309897773 /nfs/dbraw/zinc/89/77/73/309897773.db2.gz KCSGOKXIMCEFNK-UHFFFAOYSA-N -1 3 328.372 3.172 20 5 EGBDHM CC(=O)c1ccc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)o1 ZINC000445210022 309937586 /nfs/dbraw/zinc/93/75/86/309937586.db2.gz ZYFVWBJHMFMKKP-UHFFFAOYSA-N -1 3 340.238 3.244 20 5 EGBDHM C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000489592444 311113537 /nfs/dbraw/zinc/11/35/37/311113537.db2.gz AEYOJFGGABSZCR-GXSJLCMTSA-N -1 3 332.809 3.105 20 5 EGBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CC2)c([N+](=O)[O-])c1 ZINC000507534469 312076531 /nfs/dbraw/zinc/07/65/31/312076531.db2.gz UARAOHUPAJDRPT-KRWDZBQOSA-N -1 3 346.408 3.333 20 5 EGBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1(C(F)F)CCCCC1 ZINC000508083702 312088315 /nfs/dbraw/zinc/08/83/15/312088315.db2.gz LVCSXUWETBOYCJ-UHFFFAOYSA-N -1 3 348.371 3.150 20 5 EGBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)C1CCCCCC1 ZINC000523832405 312635870 /nfs/dbraw/zinc/63/58/70/312635870.db2.gz RGGILLKCVZLFLZ-UHFFFAOYSA-N -1 3 328.372 3.316 20 5 EGBDHM O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1cc(F)ccc1[O-] ZINC000174889639 323311881 /nfs/dbraw/zinc/31/18/81/323311881.db2.gz RRGURVAUBHSFRV-UHFFFAOYSA-N -1 3 333.319 3.270 20 5 EGBDHM O=C([N-]c1nc2ccccn2n1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000179210311 323374264 /nfs/dbraw/zinc/37/42/64/323374264.db2.gz JWTAJFGMBPIXMY-UHFFFAOYSA-N -1 3 339.336 3.105 20 5 EGBDHM COc1ccc(S(=O)(=O)[N-]c2ccsc2Cl)cc1[N+](=O)[O-] ZINC000189741976 455236021 /nfs/dbraw/zinc/23/60/21/455236021.db2.gz ZLIRKKUREJGFBO-UHFFFAOYSA-N -1 3 348.789 3.119 20 5 EGBDHM O=C(Nc1cccc([O-])c1F)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000159516297 455382077 /nfs/dbraw/zinc/38/20/77/455382077.db2.gz PGSAXUKWYADHTF-UHFFFAOYSA-N -1 3 327.271 3.240 20 5 EGBDHM COC(=O)c1sc([N-]C(=O)c2ccc([N+](=O)[O-])s2)cc1C ZINC000072770498 454337648 /nfs/dbraw/zinc/33/76/48/454337648.db2.gz FNBFKONLPHJFGT-UHFFFAOYSA-N -1 3 326.355 3.065 20 5 EGBDHM O=C(NCc1ccc([O-])c(F)c1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000121447275 454436571 /nfs/dbraw/zinc/43/65/71/454436571.db2.gz NKSQGIWEMQAXLW-UHFFFAOYSA-N -1 3 339.710 3.415 20 5 EGBDHM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000191564713 455497529 /nfs/dbraw/zinc/49/75/29/455497529.db2.gz MJRFVCNAWKYXJJ-UHFFFAOYSA-N -1 3 338.360 3.293 20 5 EGBDHM O=c1[n-]c(-c2cccc(-n3cccn3)n2)nc2cc3ccccc3cc12 ZINC000129400824 455110040 /nfs/dbraw/zinc/11/00/40/455110040.db2.gz JCYYGLGBPRDRMA-UHFFFAOYSA-N -1 3 339.358 3.324 20 5 EGBDHM Cc1ccc(-c2nc([N-]C(=O)c3ccc(Cl)cc3[N+](=O)[O-])n[nH]2)o1 ZINC000181886523 455395291 /nfs/dbraw/zinc/39/52/91/455395291.db2.gz LEXHMERNOOGYMU-UHFFFAOYSA-N -1 3 347.718 3.187 20 5 EGBDHM Cc1csc(N(C(=O)c2[n-]nc3ccc([N+](=O)[O-])cc32)C2CC2)n1 ZINC000266962954 455484512 /nfs/dbraw/zinc/48/45/12/455484512.db2.gz XCPGNUMACRZJJF-UHFFFAOYSA-N -1 3 343.368 3.045 20 5 EGBDHM Cc1csc(N(C(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)C2CC2)n1 ZINC000266962954 455484514 /nfs/dbraw/zinc/48/45/14/455484514.db2.gz XCPGNUMACRZJJF-UHFFFAOYSA-N -1 3 343.368 3.045 20 5 EGBDHM Cc1nc(C)c(C[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)s1 ZINC000272344121 455921188 /nfs/dbraw/zinc/92/11/88/455921188.db2.gz NOXIDSQKXAZHHU-UHFFFAOYSA-N -1 3 341.339 3.076 20 5 EGBDHM O=C(Nc1nc2ccsc2s1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000344420453 456827353 /nfs/dbraw/zinc/82/73/53/456827353.db2.gz OKFSQHLHUMSYSK-UHFFFAOYSA-N -1 3 345.365 3.395 20 5 EGBDHM CCc1cc2c([n-]c(CC(=O)c3cccc([N+](=O)[O-])c3)nc2=O)s1 ZINC000342657170 457434745 /nfs/dbraw/zinc/43/47/45/457434745.db2.gz GWDQUZSKPJZPDN-UHFFFAOYSA-N -1 3 343.364 3.293 20 5 EGBDHM CCc1ccc([C@@H](NCc2ccc([N+](=O)[O-])cc2C)C(=O)[O-])cc1 ZINC000426803362 457905968 /nfs/dbraw/zinc/90/59/68/457905968.db2.gz MEXKHSWHGSMTFH-QGZVFWFLSA-N -1 3 328.368 3.381 20 5 EGBDHM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000594746272 459149989 /nfs/dbraw/zinc/14/99/89/459149989.db2.gz OHUWSFKPBILJCT-NEPJUHHUSA-N -1 3 349.412 3.000 20 5 EGBDHM C[C@]12CN(Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000595279595 459266149 /nfs/dbraw/zinc/26/61/49/459266149.db2.gz SDZYVGGNZWBJHT-WHTWZSQMSA-N -1 3 330.384 3.161 20 5 EGBDHM Cc1cccc([C@@H](C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1C ZINC000523732777 459326902 /nfs/dbraw/zinc/32/69/02/459326902.db2.gz YJSFXWRLPVHKFE-CYBMUJFWSA-N -1 3 334.397 3.251 20 5 EGBDHM O=c1[n-]ccc(NC[C@H]2CCCO[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000596091423 459516425 /nfs/dbraw/zinc/51/64/25/459516425.db2.gz ZLHIYYOPYFSHNU-CJNGLKHVSA-N -1 3 329.356 3.275 20 5 EGBDHM CN(C[C@H]1CCCO[C@@H]1c1ccccc1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596102876 459522310 /nfs/dbraw/zinc/52/23/10/459522310.db2.gz SCGFCGUZYCEXFH-RHSMWYFYSA-N -1 3 343.383 3.300 20 5 EGBDHM COc1ccc(C[C@H]2CCCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)cc1 ZINC000596145219 459535696 /nfs/dbraw/zinc/53/56/96/459535696.db2.gz ITOMZWXMWNQEOM-CQSZACIVSA-N -1 3 343.383 3.163 20 5 EGBDHM O=c1[n-]ccc(N2CC[C@H](Oc3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC000596173250 459547954 /nfs/dbraw/zinc/54/79/54/459547954.db2.gz SHQAQPDKHDBJSY-JTQLQIEISA-N -1 3 335.747 3.007 20 5 EGBDHM O=c1[n-]ccc(N2CCC(Oc3ccccc3Cl)CC2)c1[N+](=O)[O-] ZINC000596172886 459548352 /nfs/dbraw/zinc/54/83/52/459548352.db2.gz NWNQKSPRWMIVEP-UHFFFAOYSA-N -1 3 349.774 3.397 20 5 EGBDHM O=c1[n-]ccc(N2CC[C@@H](Oc3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC000596247038 459573955 /nfs/dbraw/zinc/57/39/55/459573955.db2.gz KTZJJQFGGUKTHR-GFCCVEGCSA-N -1 3 335.747 3.007 20 5 EGBDHM Cc1cc(NCCN(C)Cc2ccccc2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000584116403 459659296 /nfs/dbraw/zinc/65/92/96/459659296.db2.gz WOFPPNHHRXAOFK-UHFFFAOYSA-N -1 3 343.383 3.145 20 5 EGBDHM Cc1oc([C@@H](C)N(C)CCc2cccc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000593741136 459971273 /nfs/dbraw/zinc/97/12/73/459971273.db2.gz HQGAQYWVNCABMY-LLVKDONJSA-N -1 3 332.356 3.430 20 5 EGBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)CCC(C)(C)C)c([N+](=O)[O-])c1 ZINC000609899916 460038428 /nfs/dbraw/zinc/03/84/28/460038428.db2.gz VXEHDKNNXXMVRW-GFCCVEGCSA-N -1 3 328.434 3.396 20 5 EGBDHM CC[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000610136342 460070393 /nfs/dbraw/zinc/07/03/93/460070393.db2.gz JNRIUJXIGVYHTC-QWRGUYRKSA-N -1 3 346.836 3.495 20 5 EGBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cc([O-])ccc3Cl)C2)nc1 ZINC000599326364 460229700 /nfs/dbraw/zinc/22/97/00/460229700.db2.gz XIIYNQYXCWNFOW-GFCCVEGCSA-N -1 3 348.790 3.035 20 5 EGBDHM C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000604017841 460369935 /nfs/dbraw/zinc/36/99/35/460369935.db2.gz JRFWZYNUJFLPIY-CABZTGNLSA-N -1 3 332.809 3.105 20 5 EGBDHM CC1=Nc2ccccc2C12CCN(c1cc[n-]c(=O)c1[N+](=O)[O-])CC2 ZINC000601256173 460766821 /nfs/dbraw/zinc/76/68/21/460766821.db2.gz KXQNRVMSKJVAOK-UHFFFAOYSA-N -1 3 338.367 3.340 20 5 EGBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cccc(F)c1F ZINC000481971049 518188023 /nfs/dbraw/zinc/18/80/23/518188023.db2.gz RXEVRLZQOWXFNI-UHFFFAOYSA-N -1 3 342.323 3.291 20 5 EGBDHM CCc1ccc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cc1[N+](=O)[O-] ZINC000472493836 547952716 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1381872083 /nfs/dbraw/zinc/87/20/83/1381872083.db2.gz ONRWJIYJIQUTHZ-UHFFFAOYSA-N -1 3 326.765 3.209 20 5 EGBDHM C[C@@H](CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC(=O)[O-] ZINC001320732028 1386703100 /nfs/dbraw/zinc/70/31/00/1386703100.db2.gz BVVNEOWCZIHLBB-NSHDSACASA-N -1 3 349.412 3.309 20 5 EGBDHM Cc1c(CNC[C@H](CCC(=O)[O-])C(F)(F)F)cccc1[N+](=O)[O-] ZINC001332270307 1390070847 /nfs/dbraw/zinc/07/08/47/1390070847.db2.gz RRBGIHMEONCRQG-NSHDSACASA-N -1 3 334.294 3.036 20 5 EGBDHM CC(C)CC1(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCC1 ZINC001574167609 950488970 /nfs/dbraw/zinc/48/89/70/950488970.db2.gz GCLIOSITEGKPEY-UHFFFAOYSA-N -1 3 330.392 3.403 20 5 EGBDHM CC(C)CC1(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCC1 ZINC001574167609 950488976 /nfs/dbraw/zinc/48/89/76/950488976.db2.gz GCLIOSITEGKPEY-UHFFFAOYSA-N -1 3 330.392 3.403 20 5 EGBDHM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001603369164 972892943 /nfs/dbraw/zinc/89/29/43/972892943.db2.gz XFKYQOWAYYCSFU-MWLCHTKSSA-N 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CCOC(=O)c1sc([N-]C(=O)c2ccc([N+](=O)[O-])s2)cc1C ZINC000070690953 307376849 /nfs/dbraw/zinc/37/68/49/307376849.db2.gz JJESZLHIGBGYAB-UHFFFAOYSA-N -1 3 340.382 3.455 20 5 EGBDHM CCc1cccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1[O-] ZINC000088463769 307446721 /nfs/dbraw/zinc/44/67/21/307446721.db2.gz JIKNAJSLZPNNSR-UHFFFAOYSA-N -1 3 326.352 3.061 20 5 EGBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCCc2sccc21 ZINC000161926632 307907803 /nfs/dbraw/zinc/90/78/03/307907803.db2.gz XFVHSZRFYADOFO-NSHDSACASA-N -1 3 338.410 3.012 20 5 EGBDHM CC[C@@H](C)CO[N-]C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000295225843 308304736 /nfs/dbraw/zinc/30/47/36/308304736.db2.gz BQVOGHLQUMFRAQ-MRVPVSSYSA-N -1 3 331.166 3.065 20 5 EGBDHM Cc1ccc([C@H](C)NCc2nc(=O)c3sccc3[n-]2)cc1[N+](=O)[O-] ZINC000298800099 308641022 /nfs/dbraw/zinc/64/10/22/308641022.db2.gz DVAIDWXVJBSRGR-JTQLQIEISA-N -1 3 344.396 3.464 20 5 EGBDHM Cc1cc([N+](=O)[O-])cnc1NCc1ccc([O-])c(Br)c1 ZINC000301700822 308711543 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334.397 3.067 20 5 EGBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H](C)C1 ZINC000511953145 312173194 /nfs/dbraw/zinc/17/31/94/312173194.db2.gz DQNVYDTXSUQHIK-DGCLKSJQSA-N -1 3 326.418 3.008 20 5 EGBDHM O=C([O-])CCCN(Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000514866906 312250837 /nfs/dbraw/zinc/25/08/37/312250837.db2.gz NGGGZOQYBIMOBI-UHFFFAOYSA-N -1 3 328.368 3.462 20 5 EGBDHM CCc1ccc(-c2nc(-c3ccc4n[n-]nc4c3)no2)cc1[N+](=O)[O-] ZINC000515109197 312266030 /nfs/dbraw/zinc/26/60/30/312266030.db2.gz JOIHPDYWBSLRPU-UHFFFAOYSA-N -1 3 336.311 3.146 20 5 EGBDHM CC1(C)C[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000532879612 313849755 /nfs/dbraw/zinc/84/97/55/313849755.db2.gz GGGHKLTWQUOYOG-AWEZNQCLSA-N -1 3 346.408 3.296 20 5 EGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC23CCCCC3)c(Cl)c1 ZINC000538848394 314279475 /nfs/dbraw/zinc/27/94/75/314279475.db2.gz QZQNKJXABXPIJM-ZDUSSCGKSA-N -1 3 344.820 3.249 20 5 EGBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCC(C)(C)C1CC1 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CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C ZINC000517962995 458833276 /nfs/dbraw/zinc/83/32/76/458833276.db2.gz VPYDFVVXVHUQJP-LBPRGKRZSA-N -1 3 334.825 3.351 20 5 EGBDHM Cc1ccc(-c2csc([N-]C(=O)c3c[nH]nc3[N+](=O)[O-])n2)cc1 ZINC000548092301 458836378 /nfs/dbraw/zinc/83/63/78/458836378.db2.gz JMAYIQCPRYXHGP-UHFFFAOYSA-N -1 3 329.341 3.002 20 5 EGBDHM CC(C)c1nc2cc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)ccc2o1 ZINC000577140696 458986568 /nfs/dbraw/zinc/98/65/68/458986568.db2.gz HLSSROJDWGEJNX-UHFFFAOYSA-N -1 3 342.311 3.212 20 5 EGBDHM CC(C)(C)c1ccc(C(=O)N=c2cc3ccccn3[n-]2)cc1[N+](=O)[O-] ZINC000557539386 459081855 /nfs/dbraw/zinc/08/18/55/459081855.db2.gz XOBGFZZNIAPQIZ-UHFFFAOYSA-N -1 3 338.367 3.214 20 5 EGBDHM Cc1cc(NC[C@H]2CCCCN2C2CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000567983464 459202548 /nfs/dbraw/zinc/20/25/48/459202548.db2.gz IHPFTEWHCFDNDH-CYBMUJFWSA-N -1 3 333.388 3.030 20 5 EGBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1CN(CC(=O)[O-])CC(C)(C)C ZINC000595885846 459474536 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EGBDHM O=[N+]([O-])c1ccc(Nc2ccccc2)c([N-]S(=O)(=O)C2CC2)c1 ZINC000340075533 155089297 /nfs/dbraw/zinc/08/92/97/155089297.db2.gz BNRBDTKWLKWAPR-UHFFFAOYSA-N -1 3 333.369 3.243 20 5 EGBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cccc([O-])c3Cl)C2)nc1 ZINC000351643045 165110729 /nfs/dbraw/zinc/11/07/29/165110729.db2.gz ZGQFAFARLDKASP-GFCCVEGCSA-N -1 3 348.790 3.035 20 5 EGBDHM Cc1ccc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c([O-])c1 ZINC000163848784 226022724 /nfs/dbraw/zinc/02/27/24/226022724.db2.gz JJOLCRHCCJCEGY-UHFFFAOYSA-N -1 3 326.352 3.414 20 5 EGBDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc(F)c(F)cc1F ZINC000178465414 265320498 /nfs/dbraw/zinc/32/04/98/265320498.db2.gz UQGFHANZYZSWBL-UHFFFAOYSA-N -1 3 326.230 3.273 20 5 EGBDHM O=C([N-]c1nc[nH]n1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000194660554 266135017 /nfs/dbraw/zinc/13/50/17/266135017.db2.gz QQSNQPYQHIZAHG-UHFFFAOYSA-N -1 3 341.352 3.116 20 5 EGBDHM CC(C)CN1Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2C1 ZINC000271136134 266608374 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CCc1oc(C(=O)[O-])cc1CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000571344603 317186275 /nfs/dbraw/zinc/18/62/75/317186275.db2.gz HRAVFSBSCSEAIN-UHFFFAOYSA-N -1 3 332.356 3.123 20 5 EGBDHM COc1cc(C(=O)[N-]c2nc(C(C)(C)C)co2)c([N+](=O)[O-])cc1F ZINC000577742822 324858844 /nfs/dbraw/zinc/85/88/44/324858844.db2.gz HJXRCVWIYFZBNQ-UHFFFAOYSA-N -1 3 337.307 3.280 20 5 EGBDHM CCOc1cc(CN2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000600673314 460564126 /nfs/dbraw/zinc/56/41/26/460564126.db2.gz BSDPSBYEBFIDTM-ILXRZTDVSA-N -1 3 348.399 3.069 20 5 EGBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1csc2ccccc12 ZINC000033880539 453917661 /nfs/dbraw/zinc/91/76/61/453917661.db2.gz YCXNVEMAOVGUNO-UHFFFAOYSA-N -1 3 348.405 3.288 20 5 EGBDHM COC(=O)c1csc([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000131520188 454261088 /nfs/dbraw/zinc/26/10/88/454261088.db2.gz HHZNTPTVCDBZGH-UHFFFAOYSA-N -1 3 340.744 3.349 20 5 EGBDHM COc1ccccc1[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000093592965 454722434 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Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000056108582 307342345 /nfs/dbraw/zinc/34/23/45/307342345.db2.gz BFSKFYLBBCXXHU-NSHDSACASA-N -1 3 338.360 3.082 20 5 EGBDHM CC(C)(C)n1cc([N-]c2ncc(Br)cc2[N+](=O)[O-])cn1 ZINC000301709676 308712085 /nfs/dbraw/zinc/71/20/85/308712085.db2.gz XATDGFYBAKQRKB-UHFFFAOYSA-N -1 3 340.181 3.447 20 5 EGBDHM CC(C)c1ccc(CN[C@@H](C(=O)[O-])c2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000426809250 309517253 /nfs/dbraw/zinc/51/72/53/309517253.db2.gz CODQIVDEHDFZFQ-QGZVFWFLSA-N -1 3 344.367 3.339 20 5 EGBDHM CCCN(CCN1CCCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436768673 309773073 /nfs/dbraw/zinc/77/30/73/309773073.db2.gz JPSSQNNPKQMIEM-UHFFFAOYSA-N -1 3 349.431 3.029 20 5 EGBDHM O=C(Nc1ccnc(-c2ccccc2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445192356 309937364 /nfs/dbraw/zinc/93/73/64/309937364.db2.gz YINJUAKFSYLJHP-UHFFFAOYSA-N -1 3 336.307 3.010 20 5 EGBDHM COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cccc(C)c3[O-])n2)c1 ZINC000445571625 309943580 /nfs/dbraw/zinc/94/35/80/309943580.db2.gz AIXRSJXAGCTMGQ-UHFFFAOYSA-N -1 3 341.323 3.258 20 5 EGBDHM Cc1csc(S(=O)(=O)[N-]C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000451293541 310170097 /nfs/dbraw/zinc/17/00/97/310170097.db2.gz WAULPWYIJVLCNP-UHFFFAOYSA-N -1 3 340.426 3.178 20 5 EGBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1CCCCC1(F)F ZINC000451637915 310190529 /nfs/dbraw/zinc/19/05/29/310190529.db2.gz CPJILOGGQQKBIG-NSHDSACASA-N -1 3 348.371 3.007 20 5 EGBDHM CCc1cc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])ccc1[O-] ZINC000487217399 311016553 /nfs/dbraw/zinc/01/65/53/311016553.db2.gz HKHNILKVAATETH-UHFFFAOYSA-N -1 3 348.786 3.489 20 5 EGBDHM COc1ccccc1CO[N-]C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492593543 311269041 /nfs/dbraw/zinc/26/90/41/311269041.db2.gz KAEHNOUETAFNOC-CLFYSBASSA-N -1 3 346.314 3.004 20 5 EGBDHM CCC1(CC)CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c2ccccc21 ZINC000506188983 312044508 /nfs/dbraw/zinc/04/45/08/312044508.db2.gz JVWWJUXGZNEJSF-UHFFFAOYSA-N -1 3 341.367 3.414 20 5 EGBDHM C[C@]1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCc2ccccc21 ZINC000509656148 312122604 /nfs/dbraw/zinc/12/26/04/312122604.db2.gz UEOSWGKKGIEDOK-KRWDZBQOSA-N -1 3 346.408 3.125 20 5 EGBDHM Cc1ccc(F)c([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1 ZINC000541801997 314490363 /nfs/dbraw/zinc/49/03/63/314490363.db2.gz RYTSPNMORSPALQ-UHFFFAOYSA-N -1 3 338.360 3.460 20 5 EGBDHM Cc1ccc(-c2csc([N-]C(=O)c3c[nH]nc3[N+](=O)[O-])n2)s1 ZINC000548414319 315006356 /nfs/dbraw/zinc/00/63/56/315006356.db2.gz KXOGBSIJOWOVQV-UHFFFAOYSA-N -1 3 335.370 3.064 20 5 EGBDHM C[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC000569931144 316984694 /nfs/dbraw/zinc/98/46/94/316984694.db2.gz UJWQYBVKYYGDNM-YVEFUNNKSA-N -1 3 343.383 3.396 20 5 EGBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cc(F)ccc1[O-] ZINC000179646914 323398615 /nfs/dbraw/zinc/39/86/15/323398615.db2.gz YSQLLROIJVULRZ-UHFFFAOYSA-N -1 3 329.287 3.102 20 5 EGBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCCC1CCCCC1 ZINC000030424663 453835813 /nfs/dbraw/zinc/83/58/13/453835813.db2.gz AJMCUGOGCRKBSH-UHFFFAOYSA-N -1 3 326.418 3.234 20 5 EGBDHM O=C(Nc1cccc([O-])c1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000155317404 454987053 /nfs/dbraw/zinc/98/70/53/454987053.db2.gz XRZLCXYLNACXSA-UHFFFAOYSA-N -1 3 337.129 3.315 20 5 EGBDHM CC(C)Sc1ccccc1[N-]C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000183608501 455311386 /nfs/dbraw/zinc/31/13/86/455311386.db2.gz LRRCLKQQRVUDRU-UHFFFAOYSA-N -1 3 332.385 3.325 20 5 EGBDHM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)/C=C/c1cncc([O-])c1 ZINC000181920472 455400122 /nfs/dbraw/zinc/40/01/22/455400122.db2.gz BBVVYTLIQAADGS-VMPITWQZSA-N -1 3 341.367 3.146 20 5 EGBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000261380689 455901199 /nfs/dbraw/zinc/90/11/99/455901199.db2.gz DBIKTHBKKLLADW-HNNXBMFYSA-N -1 3 346.408 3.259 20 5 EGBDHM CC(C)c1[nH]nc(C(=O)[N-]c2cc(C(F)(F)F)ccn2)c1[N+](=O)[O-] ZINC000272570856 455997795 /nfs/dbraw/zinc/99/77/95/455997795.db2.gz VXGHZKGQDXDRMJ-UHFFFAOYSA-N -1 3 343.265 3.107 20 5 EGBDHM CCOc1cc([N-]C(=O)c2cncs2)c([N+](=O)[O-])cc1OCC ZINC000290118742 456245123 /nfs/dbraw/zinc/24/51/23/456245123.db2.gz GBMVQKSGCJPLLY-UHFFFAOYSA-N -1 3 337.357 3.101 20 5 EGBDHM CC(C)(CCc1noc(-c2cc([O-])ccc2C(F)(F)F)n1)[N+](=O)[O-] ZINC000291073682 456518896 /nfs/dbraw/zinc/51/88/96/456518896.db2.gz MDHDZPJWVVITSE-UHFFFAOYSA-N -1 3 345.277 3.449 20 5 EGBDHM CC(C)(C)c1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2[nH]1 ZINC000340572563 456538494 /nfs/dbraw/zinc/53/84/94/456538494.db2.gz SCYOCJAWYWWMMW-UHFFFAOYSA-N -1 3 327.344 3.349 20 5 EGBDHM O=C([O-])C1(NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000340671628 456613594 /nfs/dbraw/zinc/61/35/94/456613594.db2.gz OIIVVFYHDJRHHZ-UHFFFAOYSA-N -1 3 346.314 3.233 20 5 EGBDHM Cc1ccc(CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000277376422 456801485 /nfs/dbraw/zinc/80/14/85/456801485.db2.gz QNMKDNDABPUKFS-CXAGYDPISA-N -1 3 328.368 3.455 20 5 EGBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000342500239 457337060 /nfs/dbraw/zinc/33/70/60/457337060.db2.gz BAFMDRXWWRXADY-SDDRHHMPSA-N -1 3 344.458 3.212 20 5 EGBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425375524 457526295 /nfs/dbraw/zinc/52/62/95/457526295.db2.gz UXURQNAXYYZHAY-QGZVFWFLSA-N -1 3 332.400 3.082 20 5 EGBDHM COc1cc([N+](=O)[O-])ccc1CSc1n[n-]c(-c2ccccn2)n1 ZINC000362341780 458115435 /nfs/dbraw/zinc/11/54/35/458115435.db2.gz XRIIVEFTNZKTPW-UHFFFAOYSA-N -1 3 343.368 3.076 20 5 EGBDHM O=[N+]([O-])c1ccc2c(ccn2Cc2nc(-c3ccc([O-])cc3)no2)c1 ZINC000436770622 458377986 /nfs/dbraw/zinc/37/79/86/458377986.db2.gz RZORHRKYHIWOSG-UHFFFAOYSA-N -1 3 336.307 3.353 20 5 EGBDHM COc1cc(-c2noc(-c3cc(C)cc([N+](=O)[O-])c3)n2)ccc1[O-] ZINC000436895520 458401466 /nfs/dbraw/zinc/40/14/66/458401466.db2.gz VLAXZOBSOUNKQF-UHFFFAOYSA-N -1 3 327.296 3.334 20 5 EGBDHM Cc1noc(C)c1[N-]C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437200211 458433719 /nfs/dbraw/zinc/43/37/19/458433719.db2.gz FYSRDGXEWPYJQT-UHFFFAOYSA-N -1 3 329.234 3.471 20 5 EGBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000424263793 458597719 /nfs/dbraw/zinc/59/77/19/458597719.db2.gz GKOIPMKONVULTO-LRDDRELGSA-N -1 3 336.388 3.067 20 5 EGBDHM Cc1ccc(S(=O)(=O)[N-]c2c(O)cccc2Cl)cc1[N+](=O)[O-] ZINC000590597785 459158111 /nfs/dbraw/zinc/15/81/11/459158111.db2.gz VASFLKLHKPSDER-UHFFFAOYSA-N -1 3 342.760 3.063 20 5 EGBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(F)c1Cl ZINC000561772447 459483074 /nfs/dbraw/zinc/48/30/74/459483074.db2.gz QNMNVFWFOMDIIE-UHFFFAOYSA-N -1 3 344.751 3.497 20 5 EGBDHM Cc1cccc(NC2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)c1 ZINC000596146194 459536175 /nfs/dbraw/zinc/53/61/75/459536175.db2.gz RQWBMEXTDYEFML-UHFFFAOYSA-N -1 3 328.372 3.085 20 5 EGBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(F)c1Cl ZINC000583528892 459554168 /nfs/dbraw/zinc/55/41/68/459554168.db2.gz QGAVRXRXGYCJOO-UHFFFAOYSA-N -1 3 344.751 3.497 20 5 EGBDHM CCc1csc(CC2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)n1 ZINC000596298718 459587374 /nfs/dbraw/zinc/58/73/74/459587374.db2.gz MMTGZOMSPQWDEA-UHFFFAOYSA-N -1 3 348.428 3.173 20 5 EGBDHM CCC[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccccn1 ZINC000609197202 459922644 /nfs/dbraw/zinc/92/26/44/459922644.db2.gz KUQXLHNOXSTQPB-AWEZNQCLSA-N -1 3 349.412 3.118 20 5 EGBDHM CCOc1cc(CN2CCC[C@H](CCC(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000593751205 459974122 /nfs/dbraw/zinc/97/41/22/459974122.db2.gz FOUPGFAMAHRXBZ-CYBMUJFWSA-N -1 3 336.388 3.070 20 5 EGBDHM O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cc([O-])ccc3Cl)C2)nc1 ZINC000599326513 460229490 /nfs/dbraw/zinc/22/94/90/460229490.db2.gz XIIYNQYXCWNFOW-LBPRGKRZSA-N -1 3 348.790 3.035 20 5 EGBDHM CC(C)Sc1ccccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187570136 535122591 /nfs/dbraw/zinc/12/25/91/535122591.db2.gz NUYIDQSOYYFXCT-UHFFFAOYSA-N -1 3 333.369 3.448 20 5 EGBDHM CO[C@@H](C)c1cccc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000736962749 576066024 /nfs/dbraw/zinc/06/60/24/576066024.db2.gz PXQGHTIZZGNYHU-JTQLQIEISA-N -1 3 340.343 3.226 20 5 EGBDHM CO[C@@H](C)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000736962749 576066025 /nfs/dbraw/zinc/06/60/25/576066025.db2.gz PXQGHTIZZGNYHU-JTQLQIEISA-N -1 3 340.343 3.226 20 5 EGBDHM O=[N+]([O-])c1ccc(CSc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000738360642 576317613 /nfs/dbraw/zinc/31/76/13/576317613.db2.gz ROMKVOIOHPXSMV-UHFFFAOYSA-N -1 3 331.332 3.206 20 5 EGBDHM O=[N+]([O-])c1ccc(CSc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000738360642 576317616 /nfs/dbraw/zinc/31/76/16/576317616.db2.gz ROMKVOIOHPXSMV-UHFFFAOYSA-N -1 3 331.332 3.206 20 5 EGBDHM O=[N+]([O-])c1ccc(Oc2ccc(Cl)c(F)c2)c(-c2nnn[n-]2)c1 ZINC000826499319 608053740 /nfs/dbraw/zinc/05/37/40/608053740.db2.gz DTZIQJPECHSDND-UHFFFAOYSA-N -1 3 335.682 3.360 20 5 EGBDHM O=[N+]([O-])c1ccc(Oc2ccc(Cl)c(F)c2)c(-c2nn[n-]n2)c1 ZINC000826499319 608053741 /nfs/dbraw/zinc/05/37/41/608053741.db2.gz DTZIQJPECHSDND-UHFFFAOYSA-N -1 3 335.682 3.360 20 5 EGBDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1[N+](=O)[O-] ZINC000824649938 608416168 /nfs/dbraw/zinc/41/61/68/608416168.db2.gz ONIDZDXMLYWRHE-SECBINFHSA-N -1 3 328.307 3.087 20 5 EGBDHM COc1cc(F)c([N-]C(=O)c2cc(F)ccc2[N+](=O)[O-])cc1F ZINC000125116161 1293495689 /nfs/dbraw/zinc/49/56/89/1293495689.db2.gz IXKJBYPTNVLKCP-UHFFFAOYSA-N -1 3 326.230 3.273 20 5 EGBDHM O=C(Nc1ccc(Cl)cc1[O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000153656428 1294023311 /nfs/dbraw/zinc/02/33/11/1294023311.db2.gz MVNXAECBWBKXPW-UHFFFAOYSA-N -1 3 337.675 3.114 20 5 EGBDHM CCOc1cc(COC(=O)c2cc3occc3[n-]2)ccc1[N+](=O)[O-] ZINC000786032766 1305495178 /nfs/dbraw/zinc/49/51/78/1305495178.db2.gz VSIGOFVFONWGGQ-UHFFFAOYSA-N -1 3 330.296 3.425 20 5 EGBDHM CC(C)[C@]1(C(=O)[O-])CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000901467422 1317432553 /nfs/dbraw/zinc/43/25/53/1317432553.db2.gz IJJQURHNLRDCNZ-HNNXBMFYSA-N -1 3 326.780 3.181 20 5 EGBDHM Cc1ccc(-c2cc(C(=O)OCc3cccc([N+](=O)[O-])c3)n[n-]2)o1 ZINC000919328114 1322057346 /nfs/dbraw/zinc/05/73/46/1322057346.db2.gz MGITUIFPGRTYCH-UHFFFAOYSA-N -1 3 327.296 3.243 20 5 EGBDHM Cc1ccc(-c2cc(C(=O)OCc3cccc([N+](=O)[O-])c3)[n-]n2)o1 ZINC000919328114 1322057352 /nfs/dbraw/zinc/05/73/52/1322057352.db2.gz MGITUIFPGRTYCH-UHFFFAOYSA-N -1 3 327.296 3.243 20 5 EGBDHM CC(C)(C)c1ccc([C@H](O)CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000853342330 1325082611 /nfs/dbraw/zinc/08/26/11/1325082611.db2.gz IBJKJISPYZTWJT-CQSZACIVSA-N -1 3 331.372 3.138 20 5 EGBDHM O=[N+]([O-])c1cc(C(F)F)ccc1NCc1nc(C(F)(F)F)n[n-]1 ZINC000853484449 1325101381 /nfs/dbraw/zinc/10/13/81/1325101381.db2.gz KDHGYAZBUUJBNI-UHFFFAOYSA-N -1 3 337.208 3.281 20 5 EGBDHM CC(=O)N(c1ccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1)[C@H]1C[C@H]1C ZINC000853649087 1325141583 /nfs/dbraw/zinc/14/15/83/1325141583.db2.gz XPPWTTBVVRXFBE-BMIGLBTASA-N -1 3 342.355 3.200 20 5 EGBDHM Cc1cc(N2CCN(C)CC2)ccc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210401300 1372343577 /nfs/dbraw/zinc/34/35/77/1372343577.db2.gz UFQAZWOOMHYCCH-UHFFFAOYSA-N -1 3 342.399 3.104 20 5 EGBDHM COc1ccc([C@H](C)Oc2ncc([N+](=O)[O-])c3nc[n-]c32)c(F)c1 ZINC001227691381 1375461862 /nfs/dbraw/zinc/46/18/62/1375461862.db2.gz NJGMXOBKAPHCAT-QMMMGPOBSA-N -1 3 332.291 3.154 20 5 EGBDHM CC[C@@H](NCc1ccc(-c2nn[n-]n2)s1)c1cccc([N+](=O)[O-])c1 ZINC000820926701 1427917066 /nfs/dbraw/zinc/91/70/66/1427917066.db2.gz VLUHFAMEEDSZMY-CYBMUJFWSA-N -1 3 344.400 3.077 20 5 EGBDHM CC[C@@H](NCc1ccc(-c2nnn[n-]2)s1)c1cccc([N+](=O)[O-])c1 ZINC000820926701 1427917068 /nfs/dbraw/zinc/91/70/68/1427917068.db2.gz VLUHFAMEEDSZMY-CYBMUJFWSA-N -1 3 344.400 3.077 20 5 EGBDHM Cc1cccc([C@@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)C(=O)[O-])c1 ZINC001605330213 973207573 /nfs/dbraw/zinc/20/75/73/973207573.db2.gz PDMNTNRTNURSRM-OAHLLOKOSA-N -1 3 334.759 3.472 20 5 EGBDHM CCC(CC)(CNCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC001595079317 979362728 /nfs/dbraw/zinc/36/27/28/979362728.db2.gz JFRWZILCNMGKAS-UHFFFAOYSA-N -1 3 347.371 3.230 20 5 EGBDHM CCC(CC)(NCc1c(Br)cccc1[N+](=O)[O-])C(=O)[O-] ZINC001595100988 979403481 /nfs/dbraw/zinc/40/34/81/979403481.db2.gz FZZYCYXGCSZKEC-UHFFFAOYSA-N -1 3 345.193 3.090 20 5 EGBDHM C[C@H](Cc1ccsc1)N(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001592905459 979835370 /nfs/dbraw/zinc/83/53/70/979835370.db2.gz ACXQYXUYWKPJKX-LLVKDONJSA-N -1 3 334.397 3.418 20 5 EGBDHM CC[C@@](NCc1ccc(C)c([N+](=O)[O-])c1)(C(=O)[O-])c1ccccc1 ZINC000901653204 980430004 /nfs/dbraw/zinc/43/00/04/980430004.db2.gz UHACTQKEBTZNSG-SFHVURJKSA-N -1 3 328.368 3.383 20 5 EGBDHM C/C(=C\c1cccc([N+](=O)[O-])c1)CN(CCC(F)(F)F)CC(=O)[O-] ZINC001589001466 984944201 /nfs/dbraw/zinc/94/42/01/984944201.db2.gz KERUTMFMSRRLPQ-YRNVUSSQSA-N -1 3 346.305 3.337 20 5 EGBDHM CSc1ccc(CN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC001599812792 988366996 /nfs/dbraw/zinc/36/69/96/988366996.db2.gz GGINNWCSYJIOAK-KRWDZBQOSA-N -1 3 346.408 3.406 20 5 EGBDHM Cc1c(C(=O)[N-]c2nnc(C(F)(F)F)s2)cccc1[N+](=O)[O-] ZINC000005678426 140753287 /nfs/dbraw/zinc/75/32/87/140753287.db2.gz NFOHAZSOBMHHKZ-UHFFFAOYSA-N -1 3 332.263 3.026 20 5 EGBDHM O=C(Nc1scnc1C1CC1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000342978497 141154622 /nfs/dbraw/zinc/15/46/22/141154622.db2.gz QQKFWIWCONVUEF-UHFFFAOYSA-N -1 3 329.341 3.057 20 5 EGBDHM CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C)cc2[O-])cc1OC ZINC000356232184 141324738 /nfs/dbraw/zinc/32/47/38/141324738.db2.gz DYHJLIUWHXIFTK-UHFFFAOYSA-N -1 3 346.339 3.268 20 5 EGBDHM O=[N+]([O-])c1ccc(-c2nc(C[S@@](=O)c3cccc([O-])c3)co2)cc1 ZINC000184042687 144085007 /nfs/dbraw/zinc/08/50/07/144085007.db2.gz QKZXCWVJFADNHQ-XMMPIXPASA-N -1 3 344.348 3.263 20 5 EGBDHM CCNc1cc(C)ccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000191377722 153191492 /nfs/dbraw/zinc/19/14/92/153191492.db2.gz FBADYMINRVAABG-UHFFFAOYSA-N -1 3 339.355 3.464 20 5 EGBDHM O=C(Nc1cccc(-c2cn[nH]c2)c1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000129362684 162354199 /nfs/dbraw/zinc/35/41/99/162354199.db2.gz ASOXKERHZOTJAH-UHFFFAOYSA-N -1 3 348.322 3.114 20 5 EGBDHM Cc1nc(-c2ccccc2)c([N-]C(=O)c2n[nH]c(C)c2[N+](=O)[O-])s1 ZINC000354759899 166024938 /nfs/dbraw/zinc/02/49/38/166024938.db2.gz HLLQWBCYOPIXBK-UHFFFAOYSA-N -1 3 343.368 3.311 20 5 EGBDHM COc1ccc([N-]C(=O)c2cc(COC(C)(C)C)on2)cc1[N+](=O)[O-] ZINC000274618365 267262467 /nfs/dbraw/zinc/26/24/67/267262467.db2.gz LQYWXVWJLXESDO-UHFFFAOYSA-N -1 3 349.343 3.159 20 5 EGBDHM COc1ccc(Br)c([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000111324512 275183253 /nfs/dbraw/zinc/18/32/53/275183253.db2.gz NSUNGFFVSUXDTP-UHFFFAOYSA-N -1 3 341.117 3.211 20 5 EGBDHM CC(=O)c1ncc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2NC(C)C)s1 ZINC000413837420 309049628 /nfs/dbraw/zinc/04/96/28/309049628.db2.gz SCHSLNSJYNJIQI-UHFFFAOYSA-N -1 3 348.384 3.327 20 5 EGBDHM CC1(C)CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000427240603 309525682 /nfs/dbraw/zinc/52/56/82/309525682.db2.gz BRJIBLDGTSABSP-LBPRGKRZSA-N -1 3 332.809 3.105 20 5 EGBDHM Cc1c([N-]c2nc3ccccc3cc2[N+](=O)[O-])cnn1[C@@H]1CCOC1 ZINC000450790194 310142781 /nfs/dbraw/zinc/14/27/81/310142781.db2.gz GQNNTOXUBLTJHC-CYBMUJFWSA-N -1 3 339.355 3.353 20 5 EGBDHM C[C@H]1CCc2ccccc2N1C(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000467311395 310672716 /nfs/dbraw/zinc/67/27/16/310672716.db2.gz PXQZKRWJOWQHLR-NSHDSACASA-N -1 3 336.351 3.453 20 5 EGBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)CCCC(C)C)c([N+](=O)[O-])c1 ZINC000507567716 312078044 /nfs/dbraw/zinc/07/80/44/312078044.db2.gz LRBVKASURFRSBQ-CYBMUJFWSA-N -1 3 328.434 3.396 20 5 EGBDHM Cc1cc(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)cc([N+](=O)[O-])c1 ZINC000512349461 312183661 /nfs/dbraw/zinc/18/36/61/312183661.db2.gz WSDZDRKKIJUMNB-UHFFFAOYSA-N -1 3 336.351 3.276 20 5 EGBDHM CC(C)CC[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000515729656 312295827 /nfs/dbraw/zinc/29/58/27/312295827.db2.gz PPODRHODOWIFHM-JTQLQIEISA-N -1 3 334.825 3.351 20 5 EGBDHM C[C@@H]1CC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)C1 ZINC000523521189 312624313 /nfs/dbraw/zinc/62/43/13/312624313.db2.gz SYQQJELZSLOIDT-UWVGGRQHSA-N -1 3 346.836 3.351 20 5 EGBDHM Cc1ccc(-c2csc([N-]C(=O)c3c[nH]nc3[N+](=O)[O-])n2)cc1C ZINC000548412239 315005766 /nfs/dbraw/zinc/00/57/66/315005766.db2.gz NBWRLFBVQMXAMD-UHFFFAOYSA-N -1 3 343.368 3.311 20 5 EGBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000565427032 316322891 /nfs/dbraw/zinc/32/28/91/316322891.db2.gz OTPRCBJBASKMMD-HZMBPMFUSA-N -1 3 346.305 3.303 20 5 EGBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(F)c1Cl ZINC000565620807 316347726 /nfs/dbraw/zinc/34/77/26/316347726.db2.gz LPOHRGKIMVFGJM-UHFFFAOYSA-N -1 3 344.751 3.497 20 5 EGBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1c(F)cccc1Cl ZINC000181357810 455322831 /nfs/dbraw/zinc/32/28/31/455322831.db2.gz GPCWHFTXXHQNRU-UHFFFAOYSA-N -1 3 344.751 3.497 20 5 EGBDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc1[N+](=O)[O-] ZINC000007405040 453071709 /nfs/dbraw/zinc/07/17/09/453071709.db2.gz TUNKPMSHBFFJMT-UHFFFAOYSA-N -1 3 346.286 3.121 20 5 EGBDHM CCNc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000015206943 453561969 /nfs/dbraw/zinc/56/19/69/453561969.db2.gz GVMYHQYHEZNTQD-UHFFFAOYSA-N -1 3 349.412 3.444 20 5 EGBDHM C[C@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[C@@H]1C(=O)[O-] ZINC000600803631 460610676 /nfs/dbraw/zinc/61/06/76/460610676.db2.gz XOBMOJPUJYZMET-JSGCOSHPSA-N -1 3 344.367 3.397 20 5 EGBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1Cl ZINC000016129538 453595959 /nfs/dbraw/zinc/59/59/59/453595959.db2.gz RWZYKZIDOWLBIC-UHFFFAOYSA-N -1 3 344.751 3.497 20 5 EGBDHM CC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000055297422 453974781 /nfs/dbraw/zinc/97/47/81/453974781.db2.gz WXQPMPUNKNZQNP-JTQLQIEISA-N -1 3 326.399 3.086 20 5 EGBDHM COc1c(Cl)cccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000056287286 454048604 /nfs/dbraw/zinc/04/86/04/454048604.db2.gz LCELYELIDGWNQR-UHFFFAOYSA-N -1 3 346.730 3.385 20 5 EGBDHM CCOc1ccc(OC(=O)c2[n-]nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000048867873 454519939 /nfs/dbraw/zinc/51/99/39/454519939.db2.gz XGDAKSCLGYMSAH-UHFFFAOYSA-N -1 3 327.296 3.089 20 5 EGBDHM CCOc1ccc(OC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000048867873 454519944 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EGBDHM COc1cccc2c(C(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)n[n-]c21 ZINC000362373706 458132030 /nfs/dbraw/zinc/13/20/30/458132030.db2.gz OEPMCBPGHBIMKF-UHFFFAOYSA-N -1 3 340.339 3.349 20 5 EGBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000462503550 458627288 /nfs/dbraw/zinc/62/72/88/458627288.db2.gz QLXVMSWQTDKVQO-KGLIPLIRSA-N -1 3 338.429 3.150 20 5 EGBDHM C[C@H]1CCC[C@H](C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)C1 ZINC000439149540 458662308 /nfs/dbraw/zinc/66/23/08/458662308.db2.gz BKNLOOXCNXSMSO-AAEUAGOBSA-N -1 3 328.372 3.172 20 5 EGBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000478162748 459078667 /nfs/dbraw/zinc/07/86/67/459078667.db2.gz KVOQUGPEWYOOEV-CYBMUJFWSA-N -1 3 334.397 3.251 20 5 EGBDHM CN(CC[C@H](C(=O)[O-])c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000583268407 459512776 /nfs/dbraw/zinc/51/27/76/459512776.db2.gz OOSKHXGXCPROFY-INIZCTEOSA-N -1 3 328.368 3.285 20 5 EGBDHM COc1ccc2c(c1)CCC[C@H]2CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596219582 459564441 /nfs/dbraw/zinc/56/44/41/459564441.db2.gz RWSIJNCKPNYJIY-LBPRGKRZSA-N -1 3 329.356 3.236 20 5 EGBDHM COc1cc(Cc2noc(-c3cccc(C)c3[O-])n2)ccc1[N+](=O)[O-] ZINC000545778765 459855782 /nfs/dbraw/zinc/85/57/82/459855782.db2.gz CZWKUQDQZFFKMA-UHFFFAOYSA-N -1 3 341.323 3.258 20 5 EGBDHM CCCO[C@H]1CCCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000593736616 459967893 /nfs/dbraw/zinc/96/78/93/459967893.db2.gz ORJVEFQBBYGFDO-HNNXBMFYSA-N -1 3 336.388 3.074 20 5 EGBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]C1(C(F)F)CCCC1 ZINC000588906294 460000999 /nfs/dbraw/zinc/00/09/99/460000999.db2.gz WPVIIMNXSKGMLG-UHFFFAOYSA-N -1 3 348.371 3.068 20 5 EGBDHM CCOC(=O)c1c(F)cccc1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000611450304 460367943 /nfs/dbraw/zinc/36/79/43/460367943.db2.gz AROQOAUZMXXQFP-UHFFFAOYSA-N -1 3 338.316 3.224 20 5 EGBDHM COc1cc(CN=c2[nH]c3cc(C)cc(C)c3o2)c([N+](=O)[O-])cc1[O-] ZINC000611480237 460373722 /nfs/dbraw/zinc/37/37/22/460373722.db2.gz GLXYQXDYULGISL-UHFFFAOYSA-N 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ZINC000132354717 1293716908 /nfs/dbraw/zinc/71/69/08/1293716908.db2.gz CUUGPWZWKOFUHG-UHFFFAOYSA-N -1 3 346.286 3.121 20 5 EGBDHM CSc1cc(O)ccc1[N-]C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000754479838 1300150109 /nfs/dbraw/zinc/15/01/09/1300150109.db2.gz ACDSOKKPQKMHRV-UHFFFAOYSA-N -1 3 349.324 3.183 20 5 EGBDHM Cc1ccc([C@H](C)[N-]C(=O)C(F)(F)c2nccs2)cc1[N+](=O)[O-] ZINC000756721056 1300553003 /nfs/dbraw/zinc/55/30/03/1300553003.db2.gz HNRPWVFMWAJESU-VIFPVBQESA-N -1 3 341.339 3.329 20 5 EGBDHM O=C([N-]Cc1ccc([N+](=O)[O-])cc1)C(F)(F)c1c(F)cccc1F ZINC000756937598 1300593076 /nfs/dbraw/zinc/59/30/76/1300593076.db2.gz BXMWWAZSRNFYJB-UHFFFAOYSA-N -1 3 342.248 3.281 20 5 EGBDHM Cc1ccc(-c2cc(C(=O)OCCc3ccccc3[N+](=O)[O-])n[n-]2)o1 ZINC000762691465 1301732146 /nfs/dbraw/zinc/73/21/46/1301732146.db2.gz LQYVOOXBKZRNBN-UHFFFAOYSA-N -1 3 341.323 3.286 20 5 EGBDHM Cc1ccc(-c2cc(C(=O)OCCc3ccccc3[N+](=O)[O-])[n-]n2)o1 ZINC000762691465 1301732154 /nfs/dbraw/zinc/73/21/54/1301732154.db2.gz LQYVOOXBKZRNBN-UHFFFAOYSA-N -1 3 341.323 3.286 20 5 EGBDHM COc1c([O-])ccc(CN2Cc3cccc(Cl)c3C2)c1[N+](=O)[O-] ZINC000894512485 1308931503 /nfs/dbraw/zinc/93/15/03/1308931503.db2.gz YTAQEOPCOZSIAG-UHFFFAOYSA-N -1 3 334.759 3.478 20 5 EGBDHM COc1c([O-])ccc(CNc2ccc(N(C)C)c(F)c2)c1[N+](=O)[O-] ZINC000895872389 1309574498 /nfs/dbraw/zinc/57/44/98/1309574498.db2.gz HMXQOZOIKNMRIK-UHFFFAOYSA-N -1 3 335.335 3.126 20 5 EGBDHM CCOc1cc(CO[N-]C(=O)Cc2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000798221206 1310320178 /nfs/dbraw/zinc/32/01/78/1310320178.db2.gz LZUMEKMQOXITPF-UHFFFAOYSA-N -1 3 344.367 3.092 20 5 EGBDHM O=C([O-])CC[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000901996607 1317508446 /nfs/dbraw/zinc/50/84/46/1317508446.db2.gz HQNFGVINJITUFV-LBPRGKRZSA-N -1 3 326.780 3.468 20 5 EGBDHM CC(C)([N-]C(=O)C(F)(F)c1nccs1)c1ccccc1[N+](=O)[O-] ZINC000817038847 1319263773 /nfs/dbraw/zinc/26/37/73/1319263773.db2.gz LHSWJDGCZZJPOG-UHFFFAOYSA-N -1 3 341.339 3.195 20 5 EGBDHM CCOCc1nc(C)c(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)s1 ZINC000839222614 1320896019 /nfs/dbraw/zinc/89/60/19/1320896019.db2.gz GQSXCVVOVWMMPH-UHFFFAOYSA-N -1 3 339.348 3.288 20 5 EGBDHM O=[N+]([O-])c1cc(F)ccc1Nc1ncc(Br)cc1[O-] ZINC001210950058 1372459307 /nfs/dbraw/zinc/45/93/07/1372459307.db2.gz QOUHTTIBNQGDNI-UHFFFAOYSA-N -1 3 328.097 3.341 20 5 EGBDHM Cc1ccc(C(=O)NC2CC2)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201229374 1369499982 /nfs/dbraw/zinc/49/99/82/1369499982.db2.gz MPYSPLSVNNOQQI-UHFFFAOYSA-N -1 3 327.340 3.245 20 5 EGBDHM Cc1cc(-c2noc(-c3c[n-]c(=O)c([N+](=O)[O-])c3)n2)ccc1Cl ZINC001212844395 1372783625 /nfs/dbraw/zinc/78/36/25/1372783625.db2.gz RKVPRUFYRRKCLY-UHFFFAOYSA-N -1 3 332.703 3.374 20 5 EGBDHM O=c1[n-]cc(-c2nc(-c3ccc(Cl)c(F)c3)no2)cc1[N+](=O)[O-] ZINC001212844037 1372784018 /nfs/dbraw/zinc/78/40/18/1372784018.db2.gz JBKGNYBFVLVFCE-UHFFFAOYSA-N -1 3 336.666 3.205 20 5 EGBDHM CC(C)(C)c1ccnc(-c2noc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2)c1 ZINC001212937242 1372799192 /nfs/dbraw/zinc/79/91/92/1372799192.db2.gz VAOBIAGZNLNUJW-UHFFFAOYSA-N -1 3 341.327 3.105 20 5 EGBDHM Cc1cc(Cl)cc(-c2noc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2)c1 ZINC001212935973 1372799520 /nfs/dbraw/zinc/79/95/20/1372799520.db2.gz YCVHBOUHTQGORW-UHFFFAOYSA-N -1 3 332.703 3.374 20 5 EGBDHM Cc1[n-]c(=O)cc(OC2CC(OCc3ccccc3)C2)c1[N+](=O)[O-] ZINC001228685701 1375639350 /nfs/dbraw/zinc/63/93/50/1375639350.db2.gz JOKPDPOVHAWCQT-UHFFFAOYSA-N -1 3 330.340 3.130 20 5 EGBDHM O=c1oc2cc(O[C@@H]3CN4CCC3CC4)ccc2c2ccc([O-])cc12 ZINC001229797743 1375894552 /nfs/dbraw/zinc/89/45/52/1375894552.db2.gz LSANIKGFLGJMKV-LJQANCHMSA-N -1 3 337.375 3.125 20 5 EGBDHM C[C@H](CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC(=O)[O-] ZINC001320732027 1386703024 /nfs/dbraw/zinc/70/30/24/1386703024.db2.gz BVVNEOWCZIHLBB-LLVKDONJSA-N -1 3 349.412 3.309 20 5 EGBDHM C[C@H](CCC(=O)[O-])CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001321905790 1387007174 /nfs/dbraw/zinc/00/71/74/1387007174.db2.gz AIDROMFSNWZBLV-LLVKDONJSA-N -1 3 349.412 3.309 20 5 EGBDHM Cc1c(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cccc1[N+](=O)[O-] ZINC001594262027 959700671 /nfs/dbraw/zinc/70/06/71/959700671.db2.gz PFQOPCCIBUCBES-HZPDHXFCSA-N -1 3 326.352 3.306 20 5 EGBDHM CN(C)[C@H](CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1cccc(F)c1 ZINC001598176627 990729645 /nfs/dbraw/zinc/72/96/45/990729645.db2.gz RMRSTXXMBBWGOU-MRXNPFEDSA-N -1 3 347.346 3.147 20 5 EGBDHM C[C@](NCc1cccc2ccoc21)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593304635 994751298 /nfs/dbraw/zinc/75/12/98/994751298.db2.gz PTRFKCHFDJYSJV-GOSISDBHSA-N -1 3 340.335 3.431 20 5 EGBDHM CC(Cl)(Cl)C(=O)[N-]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000278499284 268025949 /nfs/dbraw/zinc/02/59/49/268025949.db2.gz KVVNVNIMKKEAMN-UHFFFAOYSA-N -1 3 345.104 3.424 20 5 EGBDHM CCSCc1cc(C(=O)[N-]c2ccc(OC)c([N+](=O)[O-])c2)no1 ZINC000274610594 275247908 /nfs/dbraw/zinc/24/79/08/275247908.db2.gz JYXTXMAWBIKKMU-UHFFFAOYSA-N -1 3 337.357 3.097 20 5 EGBDHM CC1(C)CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000162682111 278282838 /nfs/dbraw/zinc/28/28/38/278282838.db2.gz IJOXNVIEZSVESW-VIFPVBQESA-N -1 3 332.809 3.105 20 5 EGBDHM Cc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1Cl ZINC000075081960 307397648 /nfs/dbraw/zinc/39/76/48/307397648.db2.gz AROIJCKLVRKKIF-UHFFFAOYSA-N -1 3 326.761 3.357 20 5 EGBDHM COc1cc(C)ccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000154431109 307794583 /nfs/dbraw/zinc/79/45/83/307794583.db2.gz VCLVHCDPGRIZPB-UHFFFAOYSA-N -1 3 326.312 3.040 20 5 EGBDHM CC[C@H](C)CO[N-]C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000295225844 308304854 /nfs/dbraw/zinc/30/48/54/308304854.db2.gz BQVOGHLQUMFRAQ-QMMMGPOBSA-N -1 3 331.166 3.065 20 5 EGBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)c2ccccc2)c1C ZINC000480957976 310903460 /nfs/dbraw/zinc/90/34/60/310903460.db2.gz JFMADNLSVUHWMR-CYBMUJFWSA-N -1 3 334.397 3.251 20 5 EGBDHM CC(C)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000507528393 312076345 /nfs/dbraw/zinc/07/63/45/312076345.db2.gz GXBJHXPIQJOFHK-OLZOCXBDSA-N -1 3 326.418 3.088 20 5 EGBDHM C[C@@H]1CCCC[C@H]1CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000512142189 312176961 /nfs/dbraw/zinc/17/69/61/312176961.db2.gz HXQSQEWYISXJMY-OLZOCXBDSA-N -1 3 326.418 3.090 20 5 EGBDHM CC(C)c1ccc(CNc2ccc3c(c2)C(=O)[N-]C3=O)cc1[N+](=O)[O-] ZINC000551446228 315154897 /nfs/dbraw/zinc/15/48/97/315154897.db2.gz HKOREYAXZQIORR-UHFFFAOYSA-N -1 3 339.351 3.214 20 5 EGBDHM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)CCc1cccs1 ZINC000558586109 315580849 /nfs/dbraw/zinc/58/08/49/315580849.db2.gz BGSUHYYVWKHRMR-UHFFFAOYSA-N -1 3 340.426 3.258 20 5 EGBDHM CCc1[nH]nc(C(=O)[N-]c2nc(-c3ccccc3)cs2)c1[N+](=O)[O-] ZINC000189913688 455252316 /nfs/dbraw/zinc/25/23/16/455252316.db2.gz SQXFNOLBSJSNBI-UHFFFAOYSA-N -1 3 343.368 3.256 20 5 EGBDHM CCOc1cc(CN2[C@H](C)CC(C(=O)[O-])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000600674958 460564951 /nfs/dbraw/zinc/56/49/51/460564951.db2.gz NDACJEDARVJVDS-VXGBXAGGSA-N -1 3 336.388 3.067 20 5 EGBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000031555845 453849040 /nfs/dbraw/zinc/84/90/40/453849040.db2.gz CVINOEXHMCYWTJ-UHFFFAOYSA-N -1 3 326.761 3.357 20 5 EGBDHM Cc1ccc(-c2nc([N-]C(=O)c3cccc(C)c3[N+](=O)[O-])n[nH]2)cc1 ZINC000070724288 454172441 /nfs/dbraw/zinc/17/24/41/454172441.db2.gz ARVBDJUUHHUVAX-UHFFFAOYSA-N -1 3 337.339 3.249 20 5 EGBDHM CCc1[nH]nc(C(=O)[N-]c2cnc(-c3ccccc3)s2)c1[N+](=O)[O-] ZINC000091790025 454470336 /nfs/dbraw/zinc/47/03/36/454470336.db2.gz XJYVVENPKKAJJK-UHFFFAOYSA-N -1 3 343.368 3.256 20 5 EGBDHM Cc1c([N-]C(=O)c2ncc(Br)s2)cccc1[N+](=O)[O-] ZINC000192406764 455608618 /nfs/dbraw/zinc/60/86/18/455608618.db2.gz SPNLWFASTKXJGT-UHFFFAOYSA-N -1 3 342.174 3.375 20 5 EGBDHM Cc1cccc(C(=O)[N-]c2ncn(C3CCCCC3)n2)c1[N+](=O)[O-] ZINC000185983791 455669045 /nfs/dbraw/zinc/66/90/45/455669045.db2.gz MJNLRUSXEWNQMJ-UHFFFAOYSA-N -1 3 329.360 3.252 20 5 EGBDHM C[C@@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])c2c([O-])cccc21 ZINC000186323051 455743715 /nfs/dbraw/zinc/74/37/15/455743715.db2.gz JYVOVNGFQVDONS-GFCCVEGCSA-N -1 3 342.351 3.220 20 5 EGBDHM CC(C)c1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1[N+](=O)[O-] ZINC000189092371 456224632 /nfs/dbraw/zinc/22/46/32/456224632.db2.gz JLTNFDOPQNRAIH-UHFFFAOYSA-N -1 3 343.265 3.107 20 5 EGBDHM CC(C)c1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1[N+](=O)[O-] ZINC000189092371 456224637 /nfs/dbraw/zinc/22/46/37/456224637.db2.gz JLTNFDOPQNRAIH-UHFFFAOYSA-N -1 3 343.265 3.107 20 5 EGBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(-c2ccco2)s1 ZINC000342877856 456289540 /nfs/dbraw/zinc/28/95/40/456289540.db2.gz WWHKCKZAEPRDLL-UHFFFAOYSA-N -1 3 330.325 3.267 20 5 EGBDHM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000277305946 456769781 /nfs/dbraw/zinc/76/97/81/456769781.db2.gz NBPWIUQFXKKXRO-MRXNPFEDSA-N -1 3 344.367 3.217 20 5 EGBDHM COc1ccc(NC(=O)Cc2ccc([O-])cc2Cl)cc1[N+](=O)[O-] ZINC000360741560 457333145 /nfs/dbraw/zinc/33/31/45/457333145.db2.gz WWXDLHXMRGZJIC-UHFFFAOYSA-N -1 3 336.731 3.144 20 5 EGBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000352481441 457402856 /nfs/dbraw/zinc/40/28/56/457402856.db2.gz ORELYMQGECMMRB-ITGUQSILSA-N -1 3 326.418 3.006 20 5 EGBDHM CCC[C@H](NC(C)C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000357615400 457623462 /nfs/dbraw/zinc/62/34/62/457623462.db2.gz DLJLZULSUNOZPE-JTQLQIEISA-N -1 3 329.784 3.059 20 5 EGBDHM CCOc1cc(-c2noc(-c3cccc([N+](=O)[O-])c3)n2)ccc1[O-] ZINC000445430193 458048044 /nfs/dbraw/zinc/04/80/44/458048044.db2.gz IFJFIGNVGCGYPC-UHFFFAOYSA-N -1 3 327.296 3.416 20 5 EGBDHM CC(C)c1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c([O-])c1 ZINC000436636629 458349022 /nfs/dbraw/zinc/34/90/22/458349022.db2.gz RRORYJZVWBMSEV-UHFFFAOYSA-N -1 3 343.383 3.266 20 5 EGBDHM COC(=O)c1csc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000531602346 458944339 /nfs/dbraw/zinc/94/43/39/458944339.db2.gz JZEPXDMDVRBGQS-UHFFFAOYSA-N -1 3 346.320 3.441 20 5 EGBDHM C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594745025 459149922 /nfs/dbraw/zinc/14/99/22/459149922.db2.gz RLKNNVBSVBLDFR-DGCLKSJQSA-N -1 3 349.412 3.000 20 5 EGBDHM CCC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000524537718 459370081 /nfs/dbraw/zinc/37/00/81/459370081.db2.gz KJRGJRGKZOHUNC-CHWSQXEVSA-N -1 3 326.418 3.232 20 5 EGBDHM Cc1c([N-]S(=O)(=O)Cc2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000561937433 459494525 /nfs/dbraw/zinc/49/45/25/459494525.db2.gz MZJQJYBITOAIBM-UHFFFAOYSA-N -1 3 340.788 3.499 20 5 EGBDHM CCOc1cc2c(cc1CNc1cc[n-]c(=O)c1[N+](=O)[O-])O[C@H](C)C2 ZINC000596063726 459506829 /nfs/dbraw/zinc/50/68/29/459506829.db2.gz RFLYYYKZVDODLD-SNVBAGLBSA-N -1 3 345.355 3.030 20 5 EGBDHM O=c1[n-]ccc(NCc2ccnc(OC3CCCC3)c2)c1[N+](=O)[O-] ZINC000596074885 459510331 /nfs/dbraw/zinc/51/03/31/459510331.db2.gz ADJNTCWCKIAAER-UHFFFAOYSA-N -1 3 330.344 3.024 20 5 EGBDHM O=c1[n-]ccc(NC[C@@H]2CCCO[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000596091422 459516092 /nfs/dbraw/zinc/51/60/92/459516092.db2.gz ZLHIYYOPYFSHNU-BBRMVZONSA-N -1 3 329.356 3.275 20 5 EGBDHM CC(C)(C)OC(=O)c1cccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC000596185516 459552896 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EGBDHM CCCN1C(=O)CCc2cc(Nc3cc[n-]c(=O)c3[N+](=O)[O-])ccc21 ZINC000596185757 459553022 /nfs/dbraw/zinc/55/30/22/459553022.db2.gz POOAAQFIKGQRGV-UHFFFAOYSA-N -1 3 342.355 3.128 20 5 EGBDHM C[C@H](C(=O)[O-])C1(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000593011829 459738688 /nfs/dbraw/zinc/73/86/88/459738688.db2.gz QOHHGKWNGJJKLV-LLVKDONJSA-N -1 3 330.340 3.198 20 5 EGBDHM CCc1ccc(C(=O)Nc2cccc(C(C)=O)c2[O-])cc1[N+](=O)[O-] ZINC000576179456 460084826 /nfs/dbraw/zinc/08/48/26/460084826.db2.gz KETXKMWZRBPSND-UHFFFAOYSA-N -1 3 328.324 3.318 20 5 EGBDHM CCOCc1nnc([N-]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)o1 ZINC000181848745 529080617 /nfs/dbraw/zinc/08/06/17/529080617.db2.gz BHVBDYAZPNBCSE-UHFFFAOYSA-N -1 3 344.327 3.386 20 5 EGBDHM C[C@H](Sc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000736190342 575910223 /nfs/dbraw/zinc/91/02/23/575910223.db2.gz DCVPDSSAGLGHKZ-QMMMGPOBSA-N -1 3 346.347 3.162 20 5 EGBDHM O=[N+]([O-])c1ccc(N2CCCC[C@@H]2c2ccco2)c(-c2nnn[n-]2)c1 ZINC000738370907 576319151 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CC(C)[C@@H]1CCCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001574089096 948944340 /nfs/dbraw/zinc/94/43/40/948944340.db2.gz GDYQSSAMBDCDON-GFCCVEGCSA-N -1 3 330.392 3.037 20 5 EGBDHM CN(CCc1ccccc1[N+](=O)[O-])[C@@H](C(=O)[O-])c1ccccc1F ZINC001598501950 992446037 /nfs/dbraw/zinc/44/60/37/992446037.db2.gz HLQRRQIPMPCWDJ-MRXNPFEDSA-N -1 3 332.331 3.034 20 5 EGBDHM CC(C)N(Cc1cc(C(=O)[O-])n(C)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC001591600360 992831349 /nfs/dbraw/zinc/83/13/49/992831349.db2.gz MFMLCRQQGMBECZ-UHFFFAOYSA-N -1 3 331.372 3.042 20 5 EGBDHM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)cc1[N+](=O)[O-] ZINC001599572110 998382947 /nfs/dbraw/zinc/38/29/47/998382947.db2.gz SICXTEDLEZJZMO-QGZVFWFLSA-N -1 3 344.367 3.136 20 5 EGBDHM O=C(Nc1nc2ccccc2s1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000074453142 304016200 /nfs/dbraw/zinc/01/62/00/304016200.db2.gz QODDEBFIHZCGQD-UHFFFAOYSA-N -1 3 339.336 3.333 20 5 EGBDHM COc1cc(CNc2cnn(CC(C)C)c2C)c([N+](=O)[O-])cc1[O-] ZINC000341261083 141146133 /nfs/dbraw/zinc/14/61/33/141146133.db2.gz NBVWQQHWBHPKIY-UHFFFAOYSA-N -1 3 334.376 3.082 20 5 EGBDHM Cc1[nH]nc(C(=O)[N-]c2nc(-c3ccc(C)cc3)cs2)c1[N+](=O)[O-] ZINC000342795451 141148779 /nfs/dbraw/zinc/14/87/79/141148779.db2.gz NLOXIYZFKKAATD-UHFFFAOYSA-N -1 3 343.368 3.311 20 5 EGBDHM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1cc(-c2ccncc2)on1 ZINC000347999444 141230970 /nfs/dbraw/zinc/23/09/70/141230970.db2.gz HUXZUFYRVDSJII-UHFFFAOYSA-N -1 3 328.259 3.036 20 5 EGBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1cccc2ocnc21 ZINC000341614425 155383917 /nfs/dbraw/zinc/38/39/17/155383917.db2.gz JOOYZCNLMMYZLP-UHFFFAOYSA-N -1 3 327.296 3.387 20 5 EGBDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nc(C(F)(F)F)cs2)c1 ZINC000129433874 286381775 /nfs/dbraw/zinc/38/17/75/286381775.db2.gz SMRURLPZZCSMCN-UHFFFAOYSA-N -1 3 347.274 3.331 20 5 EGBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1ncoc1[C@H]1CCCO1 ZINC000341645131 155397720 /nfs/dbraw/zinc/39/77/20/155397720.db2.gz RRSTVDJYPMICBE-CYBMUJFWSA-N -1 3 347.327 3.085 20 5 EGBDHM COc1ccc(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c([O-])c1 ZINC000175458831 265116296 /nfs/dbraw/zinc/11/62/96/265116296.db2.gz OSPGMKSALSZEMS-NSHDSACASA-N -1 3 330.340 3.108 20 5 EGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)cc1 ZINC000176725906 265198527 /nfs/dbraw/zinc/19/85/27/265198527.db2.gz JTLJWVAQFMKLTP-UHFFFAOYSA-N -1 3 348.714 3.327 20 5 EGBDHM CC(C)[C@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc21 ZINC000278409023 268007500 /nfs/dbraw/zinc/00/75/00/268007500.db2.gz RMGPLLMJFTUVGM-CYBMUJFWSA-N -1 3 327.340 3.095 20 5 EGBDHM O=C(Nc1ncccc1[O-])c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000051341043 275002675 /nfs/dbraw/zinc/00/26/75/275002675.db2.gz CJQRLYKSIYCWRJ-UHFFFAOYSA-N -1 3 342.336 3.071 20 5 EGBDHM Cc1ccc2c(c1)CCCN2C(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000040079927 281052543 /nfs/dbraw/zinc/05/25/43/281052543.db2.gz LXWDTGQMVPFABQ-UHFFFAOYSA-N -1 3 336.351 3.373 20 5 EGBDHM Cc1cc(NCCNC(=O)c2ccc([O-])cc2)c(Cl)cc1[N+](=O)[O-] ZINC000301503855 308702956 /nfs/dbraw/zinc/70/29/56/308702956.db2.gz GBLJGLVJYMCDMA-UHFFFAOYSA-N -1 3 349.774 3.104 20 5 EGBDHM Cc1cc([C@@H](NCc2cccc([N+](=O)[O-])c2)C(=O)[O-])ccc1Cl ZINC000426798398 309516945 /nfs/dbraw/zinc/51/69/45/309516945.db2.gz IFSLMPBLXBQBTJ-OAHLLOKOSA-N -1 3 334.759 3.472 20 5 EGBDHM Cc1cc([C@H](NCc2cccc([N+](=O)[O-])c2)C(=O)[O-])ccc1Cl ZINC000426798397 309517017 /nfs/dbraw/zinc/51/70/17/309517017.db2.gz IFSLMPBLXBQBTJ-HNNXBMFYSA-N -1 3 334.759 3.472 20 5 EGBDHM Cn1ccnc1[C@@H]([N-]c1ncc([N+](=O)[O-])s1)c1ccc(F)cc1 ZINC000443435454 309901028 /nfs/dbraw/zinc/90/10/28/309901028.db2.gz XVYBQXKMVCQABA-LBPRGKRZSA-N -1 3 333.348 3.125 20 5 EGBDHM Cc1cccc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])n1 ZINC000444829753 309931708 /nfs/dbraw/zinc/93/17/08/309931708.db2.gz RVXYTUFPZYAPCB-UHFFFAOYSA-N -1 3 342.174 3.375 20 5 EGBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1CCCCC1(F)F ZINC000451637914 310190473 /nfs/dbraw/zinc/19/04/73/310190473.db2.gz CPJILOGGQQKBIG-LLVKDONJSA-N -1 3 348.371 3.007 20 5 EGBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000462724636 310604834 /nfs/dbraw/zinc/60/48/34/310604834.db2.gz XYVIYSXIJHIXFG-MGPQQGTHSA-N -1 3 338.429 3.150 20 5 EGBDHM Cc1ccc(S(=O)(=O)[N-]C2(c3ccccc3)CCC2)c([N+](=O)[O-])c1 ZINC000507385191 312070620 /nfs/dbraw/zinc/07/06/20/312070620.db2.gz YOVKXGNOLFEMNP-UHFFFAOYSA-N -1 3 346.408 3.261 20 5 EGBDHM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000511953301 312173168 /nfs/dbraw/zinc/17/31/68/312173168.db2.gz FNFBRPSQDOYMBG-MNOVXSKESA-N -1 3 346.836 3.353 20 5 EGBDHM C[C@H]1CCCC[C@H]1CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000512142191 312176789 /nfs/dbraw/zinc/17/67/89/312176789.db2.gz HXQSQEWYISXJMY-STQMWFEESA-N -1 3 326.418 3.090 20 5 EGBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CC[C@H](C)CC2)cc1C ZINC000517458792 312379937 /nfs/dbraw/zinc/37/99/37/312379937.db2.gz AKGWSLPDMOKAOW-MJHDQNEOSA-N -1 3 326.418 3.069 20 5 EGBDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)cc1[N+](=O)[O-] ZINC000006316468 452935443 /nfs/dbraw/zinc/93/54/43/452935443.db2.gz DNBOLHWJWIJORH-UHFFFAOYSA-N -1 3 344.751 3.497 20 5 EGBDHM COc1ccc(C(=O)[N-]c2nc(C(C)(C)C)ns2)cc1[N+](=O)[O-] ZINC000068073887 453994208 /nfs/dbraw/zinc/99/42/08/453994208.db2.gz YIXBJRKHYKAWCP-UHFFFAOYSA-N -1 3 336.373 3.005 20 5 EGBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1c(F)cc(Cl)cc1F ZINC000091579984 454447301 /nfs/dbraw/zinc/44/73/01/454447301.db2.gz VPYAIYOPWZYIJN-UHFFFAOYSA-N -1 3 348.714 3.327 20 5 EGBDHM CN(CC(=O)Nc1ccc(Cl)cc1[O-])c1ccccc1[N+](=O)[O-] ZINC000153628240 454814224 /nfs/dbraw/zinc/81/42/24/454814224.db2.gz AENUNAHILILTQB-UHFFFAOYSA-N -1 3 335.747 3.029 20 5 EGBDHM O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1cccc([O-])c1F ZINC000128481438 455060349 /nfs/dbraw/zinc/06/03/49/455060349.db2.gz VDDXYXYPPVMSFC-UHFFFAOYSA-N -1 3 333.319 3.270 20 5 EGBDHM Cc1cccc([O-])c1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000183023502 455211735 /nfs/dbraw/zinc/21/17/35/455211735.db2.gz LSJXUVNKOSVLDW-UHFFFAOYSA-N -1 3 338.323 3.047 20 5 EGBDHM CCc1[nH]nc(C(=O)[N-]c2ccc(OC(C)C)cc2F)c1[N+](=O)[O-] ZINC000192470524 455625353 /nfs/dbraw/zinc/62/53/53/455625353.db2.gz QLVXYAMTTKRKMN-UHFFFAOYSA-N -1 3 336.323 3.059 20 5 EGBDHM CC(C)c1ccoc1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000352793317 456313546 /nfs/dbraw/zinc/31/35/46/456313546.db2.gz BBAATPRJICSVBN-UHFFFAOYSA-N -1 3 340.339 3.376 20 5 EGBDHM C[C@@H](CCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)CC(=O)[O-] ZINC000277444535 456827837 /nfs/dbraw/zinc/82/78/37/456827837.db2.gz USOXKHREWVUHIZ-LBPRGKRZSA-N -1 3 332.356 3.445 20 5 EGBDHM COCc1nc(Sc2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)n[n-]1 ZINC000360047249 457224559 /nfs/dbraw/zinc/22/45/59/457224559.db2.gz KGMZSRYUURNGPJ-UHFFFAOYSA-N -1 3 348.306 3.338 20 5 EGBDHM Cc1cc(NCc2cnc(C)[n-]c2=O)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000360069633 457237490 /nfs/dbraw/zinc/23/74/90/457237490.db2.gz FDNJXIOETHULTI-UHFFFAOYSA-N -1 3 342.277 3.338 20 5 EGBDHM O=C(C[C@@H]1C=CCCC1)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000428988998 458248325 /nfs/dbraw/zinc/24/83/25/458248325.db2.gz BRNUTZODEZFQSX-GFCCVEGCSA-N -1 3 326.356 3.092 20 5 EGBDHM CCN(CC)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000436862338 458395426 /nfs/dbraw/zinc/39/54/26/458395426.db2.gz YIBLDCKUJKLADU-UHFFFAOYSA-N -1 3 343.383 3.395 20 5 EGBDHM COc1ccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c([O-])c1 ZINC000442698245 459024636 /nfs/dbraw/zinc/02/46/36/459024636.db2.gz CMQHISBBHNOIRV-UHFFFAOYSA-N -1 3 327.296 3.043 20 5 EGBDHM C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000594746273 459150236 /nfs/dbraw/zinc/15/02/36/459150236.db2.gz OHUWSFKPBILJCT-NWDGAFQWSA-N -1 3 349.412 3.000 20 5 EGBDHM C[C@@H](CCC1CC1)[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594767516 459153487 /nfs/dbraw/zinc/15/34/87/459153487.db2.gz OFUAOLLZVOIIDU-NSHDSACASA-N -1 3 349.412 3.000 20 5 EGBDHM O=c1[n-]ccc(NCCCCOCCc2ccccc2)c1[N+](=O)[O-] ZINC000596088517 459515918 /nfs/dbraw/zinc/51/59/18/459515918.db2.gz PNTOAGCONQVEJG-UHFFFAOYSA-N -1 3 331.372 3.147 20 5 EGBDHM O=c1[n-]ccc(NC[C@H]2CCN(c3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC000596093855 459517800 /nfs/dbraw/zinc/51/78/00/459517800.db2.gz ZFKVJYOSZFPENP-LLVKDONJSA-N -1 3 348.790 3.287 20 5 EGBDHM Cc1ccc(C[C@H]2CCCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)cc1 ZINC000596100964 459521598 /nfs/dbraw/zinc/52/15/98/459521598.db2.gz FLUWALWMZLFJEI-OAHLLOKOSA-N -1 3 327.384 3.463 20 5 EGBDHM Cc1ccc2[nH]c3c(c2c1)C[C@@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])CC3 ZINC000596184578 459552607 /nfs/dbraw/zinc/55/26/07/459552607.db2.gz BWDFCVDJOQTLFN-NSHDSACASA-N -1 3 338.367 3.455 20 5 EGBDHM O=C([O-])c1coc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000583945999 459624264 /nfs/dbraw/zinc/62/42/64/459624264.db2.gz MJNNKNKOPKYTOK-CYBMUJFWSA-N -1 3 330.340 3.266 20 5 EGBDHM CC1(C)CN(C(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c2ccccc21 ZINC000610714650 460222446 /nfs/dbraw/zinc/22/24/46/460222446.db2.gz LJHSABOCRNYMJK-UHFFFAOYSA-N -1 3 336.351 3.409 20 5 EGBDHM CC(C)CCC[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000603955278 460363925 /nfs/dbraw/zinc/36/39/25/460363925.db2.gz KOMBMTUVMUBHNE-LLVKDONJSA-N -1 3 332.397 3.227 20 5 EGBDHM CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000604031467 460370984 /nfs/dbraw/zinc/37/09/84/460370984.db2.gz DJXDYNMCSJATNW-GXFFZTMASA-N -1 3 346.836 3.495 20 5 EGBDHM O=c1[n-]ccc(N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000601205484 460750026 /nfs/dbraw/zinc/75/00/26/460750026.db2.gz CVYMBUAXCCSBJB-OCCSQVGLSA-N -1 3 335.747 3.291 20 5 EGBDHM CCOc1cc([N-]C(=O)c2cccc(F)n2)c([N+](=O)[O-])cc1OCC ZINC000183455811 528322520 /nfs/dbraw/zinc/32/25/20/528322520.db2.gz VAVCRSWNZVTHIJ-UHFFFAOYSA-N -1 3 349.318 3.179 20 5 EGBDHM Cc1ccc([C@@H]2CCCN2c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])o1 ZINC000737328226 576206863 /nfs/dbraw/zinc/20/68/63/576206863.db2.gz ANLQEJPZJZWTBP-ZDUSSCGKSA-N -1 3 340.343 3.018 20 5 EGBDHM Cc1ccc([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])o1 ZINC000737328226 576206868 /nfs/dbraw/zinc/20/68/68/576206868.db2.gz ANLQEJPZJZWTBP-ZDUSSCGKSA-N -1 3 340.343 3.018 20 5 EGBDHM CC(C)c1ccc(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000833510004 604649118 /nfs/dbraw/zinc/64/91/18/604649118.db2.gz HLNXMOYXHWTHAS-OAHLLOKOSA-N -1 3 332.400 3.405 20 5 EGBDHM Cc1cc(NCc2ccc(-c3nnn[n-]3)cc2)c(Cl)cc1[N+](=O)[O-] ZINC000822209666 606221445 /nfs/dbraw/zinc/22/14/45/606221445.db2.gz RAHLCNODWUBWLL-UHFFFAOYSA-N -1 3 344.762 3.349 20 5 EGBDHM Cc1cc(NCc2ccc(-c3nn[n-]n3)cc2)c(Cl)cc1[N+](=O)[O-] ZINC000822209666 606221447 /nfs/dbraw/zinc/22/14/47/606221447.db2.gz RAHLCNODWUBWLL-UHFFFAOYSA-N -1 3 344.762 3.349 20 5 EGBDHM O=[N+]([O-])c1ccc(CSc2cc(-c3nnn[n-]3)ccn2)c(Cl)c1 ZINC000826498498 609449767 /nfs/dbraw/zinc/44/97/67/609449767.db2.gz XJIZLCSRRPHLIS-UHFFFAOYSA-N -1 3 348.775 3.116 20 5 EGBDHM O=[N+]([O-])c1ccc(CSc2cc(-c3nn[n-]n3)ccn2)c(Cl)c1 ZINC000826498498 609449768 /nfs/dbraw/zinc/44/97/68/609449768.db2.gz XJIZLCSRRPHLIS-UHFFFAOYSA-N -1 3 348.775 3.116 20 5 EGBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1ncccc1C(F)(F)F ZINC000092296107 1292860911 /nfs/dbraw/zinc/86/09/11/1292860911.db2.gz CVKGQZIXMMQBHF-UHFFFAOYSA-N -1 3 329.209 3.400 20 5 EGBDHM COc1ccccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1Cl ZINC000192726474 1295793146 /nfs/dbraw/zinc/79/31/46/1295793146.db2.gz SGODIVXFNGDMOI-UHFFFAOYSA-N -1 3 342.760 3.058 20 5 EGBDHM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000192726940 1295794321 /nfs/dbraw/zinc/79/43/21/1295794321.db2.gz HMMGZACFSJABSF-UHFFFAOYSA-N -1 3 348.714 3.327 20 5 EGBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000872169352 1296789716 /nfs/dbraw/zinc/78/97/16/1296789716.db2.gz MOOMEDVEJUJUKP-FUHWJXTLSA-N -1 3 348.399 3.211 20 5 EGBDHM Cc1cc([N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)no1 ZINC000754979497 1300260929 /nfs/dbraw/zinc/26/09/29/1300260929.db2.gz XTURTIQZODXRTA-UHFFFAOYSA-N -1 3 344.096 3.045 20 5 EGBDHM C[C@@H]1Oc2ccccc2[C@@H]1[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000809337359 1317799060 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KQAYXDMFPMOKDV-UHFFFAOYSA-N -1 3 349.412 3.000 20 5 EGBDHM COc1ccnc2c([N-]C(=O)c3ccc([N+](=O)[O-])s3)cccc12 ZINC000534321201 459312977 /nfs/dbraw/zinc/31/29/77/459312977.db2.gz UNNHHPSOGQFCLO-UHFFFAOYSA-N -1 3 329.337 3.465 20 5 EGBDHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000595529731 459335195 /nfs/dbraw/zinc/33/51/95/459335195.db2.gz ZGRQIZHFXRQESN-UHFFFAOYSA-N -1 3 336.779 3.077 20 5 EGBDHM O=c1[n-]ccc(N2CCC(Cc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000596104514 459522442 /nfs/dbraw/zinc/52/24/42/459522442.db2.gz CCTQJTXZBMSAHH-UHFFFAOYSA-N -1 3 331.347 3.294 20 5 EGBDHM COc1ccc(C2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)cc1 ZINC000596146318 459535606 /nfs/dbraw/zinc/53/56/06/459535606.db2.gz YOGJRGNHDUDXBP-UHFFFAOYSA-N -1 3 329.356 3.088 20 5 EGBDHM O=c1[n-]ccc(N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000596196919 459557945 /nfs/dbraw/zinc/55/79/45/459557945.db2.gz CMTSWJNPOSYPDJ-GXTWGEPZSA-N -1 3 333.319 3.167 20 5 EGBDHM COC[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000596254088 459575706 /nfs/dbraw/zinc/57/57/06/459575706.db2.gz HTEMLNYYEPDPHX-LLVKDONJSA-N -1 3 337.763 3.191 20 5 EGBDHM C[C@@H]1Cc2ccccc2N(C(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)C1 ZINC000609188042 459919938 /nfs/dbraw/zinc/91/99/38/459919938.db2.gz NPNQFPIKTVIDBV-LLVKDONJSA-N -1 3 336.351 3.310 20 5 EGBDHM O=[N+]([O-])c1ccccc1C=Cc1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000589821056 460142810 /nfs/dbraw/zinc/14/28/10/460142810.db2.gz QPQVMTKRIQUSEX-VURMDHGXSA-N -1 3 334.295 3.087 20 5 EGBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1c(C)noc1C(F)F ZINC000619607530 460395288 /nfs/dbraw/zinc/39/52/88/460395288.db2.gz RPFOKKDUJPVEIT-UHFFFAOYSA-N -1 3 341.270 3.480 20 5 EGBDHM CCC1CCC(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000202644757 574909522 /nfs/dbraw/zinc/90/95/22/574909522.db2.gz NIFZORAIKDLMIO-UHFFFAOYSA-N -1 3 326.418 3.090 20 5 EGBDHM COc1cc(F)c([N-]C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1F ZINC000163272472 1294331718 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328.372 3.085 20 5 EGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccnn2Cc2cccc(F)c2)c1 ZINC001199815310 1369276084 /nfs/dbraw/zinc/27/60/84/1369276084.db2.gz ZVKWUPIVEILDCN-UHFFFAOYSA-N -1 3 328.303 3.428 20 5 EGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cnc3cc(C4CCC4)nn3c2)c1 ZINC001199828190 1369278408 /nfs/dbraw/zinc/27/84/08/1369278408.db2.gz BZGOODUVYNBULK-UHFFFAOYSA-N -1 3 325.328 3.354 20 5 EGBDHM CC1(C)NC(=O)Nc2ccc(Nc3cc([O-])cc([N+](=O)[O-])c3)cc21 ZINC001201229151 1369500224 /nfs/dbraw/zinc/50/02/24/1369500224.db2.gz DZTDTVIIKRHIGV-UHFFFAOYSA-N -1 3 328.328 3.414 20 5 EGBDHM COc1ncc(Nc2c([O-])cccc2Br)cc1[N+](=O)[O-] ZINC001210138349 1372279626 /nfs/dbraw/zinc/27/96/26/1372279626.db2.gz IVVOZLZPFPBNSH-UHFFFAOYSA-N -1 3 340.133 3.210 20 5 EGBDHM COc1cc(Cl)ccc1-c1noc(-c2cc([N+](=O)[O-])c[n-]c2=O)n1 ZINC001212937039 1372799316 /nfs/dbraw/zinc/79/93/16/1372799316.db2.gz KLXSYFHWCFPWBD-UHFFFAOYSA-N -1 3 348.702 3.074 20 5 EGBDHM O=[N+]([O-])c1cnc(O[C@H](c2ccccc2)c2ccccn2)c2[n-]cnc21 ZINC001227691586 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348.380 3.181 20 5 EGBDHM O=C([N-]c1nc(C=Cc2ccccc2)cs1)c1n[nH]cc1[N+](=O)[O-] ZINC000343673734 164009414 /nfs/dbraw/zinc/00/94/14/164009414.db2.gz RXJFVOSQNVPKOZ-SREVYHEPSA-N -1 3 341.352 3.197 20 5 EGBDHM O=C(Nc1cc(-c2ccccc2)ns1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000355484537 166216878 /nfs/dbraw/zinc/21/68/78/166216878.db2.gz JPFJNJUEQVOQCE-UHFFFAOYSA-N -1 3 342.336 3.071 20 5 EGBDHM CC(=O)c1cc(F)c([N-]C(=O)c2cccc([N+](=O)[O-])c2)c(F)c1F ZINC000355857102 166328626 /nfs/dbraw/zinc/32/86/26/166328626.db2.gz LIGSOEDKBBPFKP-UHFFFAOYSA-N -1 3 338.241 3.467 20 5 EGBDHM Cc1nc([N-]C(=O)c2scnc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000362536586 167788969 /nfs/dbraw/zinc/78/89/69/167788969.db2.gz XISRTVOFFQIRHZ-UHFFFAOYSA-N -1 3 332.263 3.026 20 5 EGBDHM CCOc1ccc([N+](=O)[O-])cc1CN[C@@H](CC(=O)[O-])CC(C)(C)C ZINC000284404390 275798257 /nfs/dbraw/zinc/79/82/57/275798257.db2.gz ZXYYYZLKGSXPLO-ZDUSSCGKSA-N -1 3 338.404 3.363 20 5 EGBDHM CCc1ccc(C(=O)N2CCCc3cccc([O-])c32)cc1[N+](=O)[O-] ZINC000155564059 281395430 /nfs/dbraw/zinc/39/54/30/281395430.db2.gz GXNGYEUHGZGQAM-UHFFFAOYSA-N -1 3 326.352 3.456 20 5 EGBDHM CC(C)CCSc1ccc(C(=O)[N-]c2ncn(C)n2)cc1[N+](=O)[O-] ZINC000294438048 308220847 /nfs/dbraw/zinc/22/08/47/308220847.db2.gz GULGNHNJVXVZFJ-UHFFFAOYSA-N -1 3 349.416 3.114 20 5 EGBDHM Cc1ccc(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1[N+](=O)[O-] ZINC000417620351 309214219 /nfs/dbraw/zinc/21/42/19/309214219.db2.gz LLIILXBCCMQUNB-HZPDHXFCSA-N -1 3 326.352 3.306 20 5 EGBDHM CCCOc1cc([O-])ccc1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000430467494 309608652 /nfs/dbraw/zinc/60/86/52/309608652.db2.gz BVXFQIQBKWDTMN-UHFFFAOYSA-N -1 3 348.359 3.188 20 5 EGBDHM Cn1ccnc1[C@H]([N-]c1ncc([N+](=O)[O-])s1)c1ccc(F)cc1 ZINC000443435453 309900979 /nfs/dbraw/zinc/90/09/79/309900979.db2.gz XVYBQXKMVCQABA-GFCCVEGCSA-N -1 3 333.348 3.125 20 5 EGBDHM C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000489592447 311113596 /nfs/dbraw/zinc/11/35/96/311113596.db2.gz AEYOJFGGABSZCR-ONGXEEELSA-N -1 3 332.809 3.105 20 5 EGBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1CCC[C@H](C)C1 ZINC000511953147 312173113 /nfs/dbraw/zinc/17/31/13/312173113.db2.gz DQNVYDTXSUQHIK-WCQYABFASA-N -1 3 326.418 3.008 20 5 EGBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2c3ccccc3C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000521163918 312533855 /nfs/dbraw/zinc/53/38/55/312533855.db2.gz GSYOYBBSRDMEMY-SJCJKPOMSA-N -1 3 346.408 3.115 20 5 EGBDHM CC(C)CN(CCC(=O)[O-])Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000565309789 316307641 /nfs/dbraw/zinc/30/76/41/316307641.db2.gz LTPLADIFAQWABB-UHFFFAOYSA-N -1 3 347.371 3.183 20 5 EGBDHM COc1ccc([O-])c(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000175458608 323319026 /nfs/dbraw/zinc/31/90/26/323319026.db2.gz DRLRBUJRVOWHHJ-LLVKDONJSA-N -1 3 330.340 3.108 20 5 EGBDHM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000180160332 323426801 /nfs/dbraw/zinc/42/68/01/323426801.db2.gz VNOANLOBQICAIU-UHFFFAOYSA-N -1 3 338.360 3.293 20 5 EGBDHM O=[N+]([O-])c1ccc(-c2noc(-c3cc(-c4ccco4)n[n-]3)n2)s1 ZINC000350830390 324125575 /nfs/dbraw/zinc/12/55/75/324125575.db2.gz GNAMEGSNVNCONU-UHFFFAOYSA-N -1 3 329.297 3.356 20 5 EGBDHM O=[N+]([O-])c1ccc(-c2noc(-c3cc(-c4ccco4)[n-]n3)n2)s1 ZINC000350830390 324125579 /nfs/dbraw/zinc/12/55/79/324125579.db2.gz GNAMEGSNVNCONU-UHFFFAOYSA-N -1 3 329.297 3.356 20 5 EGBDHM CCN(CC)[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1ccco1 ZINC000580837632 325301058 /nfs/dbraw/zinc/30/10/58/325301058.db2.gz XLGXZGJWZIQIGN-HNNXBMFYSA-N -1 3 347.371 3.381 20 5 EGBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccsc1Cl ZINC000189730427 455236132 /nfs/dbraw/zinc/23/61/32/455236132.db2.gz DRUQDMCWXFGVPI-UHFFFAOYSA-N -1 3 348.789 3.119 20 5 EGBDHM Cc1ccc(CS(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)cc1F ZINC000184211596 455362833 /nfs/dbraw/zinc/36/28/33/455362833.db2.gz LDVMXHMXVFJUFH-UHFFFAOYSA-N -1 3 338.360 3.293 20 5 EGBDHM Cc1ccnc(NCc2ccc([O-])c(Br)c2)c1[N+](=O)[O-] ZINC000155593339 455020699 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EGBDHM Cc1ccc(S(=O)(=O)[N-]C2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000352481543 457402372 /nfs/dbraw/zinc/40/23/72/457402372.db2.gz ORELYMQGECMMRB-VXGBXAGGSA-N -1 3 326.418 3.006 20 5 EGBDHM COc1cc([O-])cc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c1 ZINC000357516844 457573935 /nfs/dbraw/zinc/57/39/35/457573935.db2.gz KSDDUVCYRDIYPH-UHFFFAOYSA-N -1 3 327.296 3.043 20 5 EGBDHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cccc([N+](=O)[O-])c3)c[n-]c12 ZINC000433108580 457760349 /nfs/dbraw/zinc/76/03/49/457760349.db2.gz HQYDRTHVERJTNU-UHFFFAOYSA-N -1 3 341.298 3.136 20 5 EGBDHM COc1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c([O-])c1 ZINC000443561257 457779549 /nfs/dbraw/zinc/77/95/49/457779549.db2.gz SSWYKIJWAGNXGC-UHFFFAOYSA-N -1 3 348.330 3.364 20 5 EGBDHM CCc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1ncoc1[C@H]1CCCO1 ZINC000362345856 458117541 /nfs/dbraw/zinc/11/75/41/458117541.db2.gz QCJNHAXXBVYSCU-CYBMUJFWSA-N -1 3 331.328 3.249 20 5 EGBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC000424263795 458597786 /nfs/dbraw/zinc/59/77/86/458597786.db2.gz GKOIPMKONVULTO-WBMJQRKESA-N -1 3 336.388 3.067 20 5 EGBDHM O=C(Nc1cccc2ccncc21)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000530802796 458829727 /nfs/dbraw/zinc/82/97/27/458829727.db2.gz IGNISZZTGXQTAO-UHFFFAOYSA-N -1 3 333.307 3.272 20 5 EGBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1cc(Cl)cc(F)c1F ZINC000441594404 458963214 /nfs/dbraw/zinc/96/32/14/458963214.db2.gz UVYMUHMRHZBJHU-UHFFFAOYSA-N -1 3 327.674 3.482 20 5 EGBDHM Cc1[n-][nH]c(=NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1-c1ccccc1 ZINC000522168816 459222772 /nfs/dbraw/zinc/22/27/72/459222772.db2.gz WKVZXIXLXBBTHL-UHFFFAOYSA-N -1 3 336.351 3.276 20 5 EGBDHM CN(C)[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccccc1Cl ZINC000596060282 459505329 /nfs/dbraw/zinc/50/53/29/459505329.db2.gz SWEPPGUOLHYWCT-ZDUSSCGKSA-N -1 3 336.779 3.064 20 5 EGBDHM Cc1ccc(-c2nnc(NC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)[n-]2)o1 ZINC000573186036 459638524 /nfs/dbraw/zinc/63/85/24/459638524.db2.gz UGORSNQHCLPTNP-JTQLQIEISA-N -1 3 341.327 3.024 20 5 EGBDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000573186036 459638529 /nfs/dbraw/zinc/63/85/29/459638529.db2.gz UGORSNQHCLPTNP-JTQLQIEISA-N -1 3 341.327 3.024 20 5 EGBDHM Cc1ccc(-c2nc(NC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)n[n-]2)o1 ZINC000573186036 459638534 /nfs/dbraw/zinc/63/85/34/459638534.db2.gz UGORSNQHCLPTNP-JTQLQIEISA-N -1 3 341.327 3.024 20 5 EGBDHM O=C([O-])[C@@H](CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)CC1CC1 ZINC000593012481 459738755 /nfs/dbraw/zinc/73/87/55/459738755.db2.gz XSSSJERMPRDGMB-CYBMUJFWSA-N -1 3 344.367 3.445 20 5 EGBDHM CC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000608781422 459882143 /nfs/dbraw/zinc/88/21/43/459882143.db2.gz JZQSYOUWAZTTIX-ZDUSSCGKSA-N -1 3 326.418 3.232 20 5 EGBDHM O=[N+]([O-])c1cccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000738367568 576318683 /nfs/dbraw/zinc/31/86/83/576318683.db2.gz VRLGNYDQUXNLAD-UHFFFAOYSA-N -1 3 330.735 3.040 20 5 EGBDHM O=[N+]([O-])c1cccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000738367568 576318686 /nfs/dbraw/zinc/31/86/86/576318686.db2.gz VRLGNYDQUXNLAD-UHFFFAOYSA-N -1 3 330.735 3.040 20 5 EGBDHM O=[N+]([O-])c1ccc(N[C@@H]2CSc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000738369001 576318774 /nfs/dbraw/zinc/31/87/74/576318774.db2.gz HUCMTXPOBVCGGC-CYBMUJFWSA-N -1 3 340.368 3.034 20 5 EGBDHM O=[N+]([O-])c1ccc(N[C@@H]2CSc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000738369001 576318775 /nfs/dbraw/zinc/31/87/75/576318775.db2.gz HUCMTXPOBVCGGC-CYBMUJFWSA-N -1 3 340.368 3.034 20 5 EGBDHM Cc1cc(C)cc([C@@H](C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768837733 1302992252 /nfs/dbraw/zinc/99/22/52/1302992252.db2.gz PZDMDTJXQKVFQT-LLVKDONJSA-N -1 3 340.426 3.313 20 5 EGBDHM Cc1c(C(=O)[N-]c2c(F)cccc2F)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000066280579 1292110634 /nfs/dbraw/zinc/11/06/34/1292110634.db2.gz NDYVZIVHCKUKMV-UHFFFAOYSA-N -1 3 337.238 3.342 20 5 EGBDHM COc1ccc(CO[N-]C(=O)CCCc2ccccc2)cc1[N+](=O)[O-] ZINC000112335053 1293125575 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3.082 20 5 EGBDHM CCCSC[C@H](NCc1ccc(C(C)C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000426776699 457900230 /nfs/dbraw/zinc/90/02/30/457900230.db2.gz ZRQHATOPMIUPAO-AWEZNQCLSA-N -1 3 340.445 3.404 20 5 EGBDHM Cc1ccc(S(=O)(=O)[N-]Cc2coc3ccccc23)c([N+](=O)[O-])c1 ZINC000358391498 457972534 /nfs/dbraw/zinc/97/25/34/457972534.db2.gz YXMPTXZMNCWEEF-UHFFFAOYSA-N -1 3 346.364 3.128 20 5 EGBDHM COc1cccc2c(C(=O)Nc3cccc([N+](=O)[O-])c3C)[n-]nc21 ZINC000362376753 458133476 /nfs/dbraw/zinc/13/34/76/458133476.db2.gz UBRBSGOPPNDBKI-UHFFFAOYSA-N -1 3 326.312 3.040 20 5 EGBDHM COc1cccc2c(C(=O)Nc3cccc([N+](=O)[O-])c3C)n[n-]c21 ZINC000362376753 458133487 /nfs/dbraw/zinc/13/34/87/458133487.db2.gz UBRBSGOPPNDBKI-UHFFFAOYSA-N -1 3 326.312 3.040 20 5 EGBDHM CN(C(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21)c1cc(F)ccc1F ZINC000362537460 458253810 /nfs/dbraw/zinc/25/38/10/458253810.db2.gz JPYAHVJODMFJKB-UHFFFAOYSA-N -1 3 332.266 3.026 20 5 EGBDHM O=[N+]([O-])c1ccc(NCCCc2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436772213 458378390 /nfs/dbraw/zinc/37/83/90/458378390.db2.gz NAJNXWDFLMEGRD-UHFFFAOYSA-N -1 3 340.339 3.395 20 5 EGBDHM CSc1ccc(C(=O)Nc2cccc(C(C)=O)c2[O-])cc1[N+](=O)[O-] ZINC000517976962 458833964 /nfs/dbraw/zinc/83/39/64/458833964.db2.gz CTUXWVQWTCZZFB-UHFFFAOYSA-N -1 3 346.364 3.477 20 5 EGBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1CN([C@@H](C)C(=O)[O-])C1CCC1 ZINC000566511588 458952250 /nfs/dbraw/zinc/95/22/50/458952250.db2.gz WBGVJJIZJHENJP-LBPRGKRZSA-N -1 3 336.388 3.210 20 5 EGBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCc3ccccc32)c1C ZINC000480939788 459225301 /nfs/dbraw/zinc/22/53/01/459225301.db2.gz SZDVFWPGIOCCKE-HNNXBMFYSA-N -1 3 346.408 3.177 20 5 EGBDHM O=c1[n-]ccc(N2CCC(c3cccc(F)c3F)CC2)c1[N+](=O)[O-] ZINC000596196367 459557596 /nfs/dbraw/zinc/55/75/96/459557596.db2.gz LWGNIIFNTUXLRK-UHFFFAOYSA-N -1 3 335.310 3.358 20 5 EGBDHM Cc1cc(NC[C@H](c2ccccc2)N(C)C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000573850324 459745918 /nfs/dbraw/zinc/74/59/18/459745918.db2.gz GWJUNIBGSRHBMF-QGZVFWFLSA-N -1 3 343.383 3.316 20 5 EGBDHM CCCc1coc([N-]C(=O)c2cc(OC)c(OCC)cc2[N+](=O)[O-])n1 ZINC000566426659 459864743 /nfs/dbraw/zinc/86/47/43/459864743.db2.gz HLAZNJFUXZQNAT-UHFFFAOYSA-N -1 3 349.343 3.195 20 5 EGBDHM CCOc1cc(CN2CCC[C@@H](CCC(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000593751206 459973811 /nfs/dbraw/zinc/97/38/11/459973811.db2.gz FOUPGFAMAHRXBZ-ZDUSSCGKSA-N -1 3 336.388 3.070 20 5 EGBDHM O=C([N-]c1cccc([N+](=O)[O-])c1)c1noc(-c2cccc(F)c2)n1 ZINC000610253707 460097979 /nfs/dbraw/zinc/09/79/79/460097979.db2.gz WSQFELPLPGDSLT-UHFFFAOYSA-N -1 3 328.259 3.036 20 5 EGBDHM Cc1c([N-]C(=O)c2noc(-c3cccc(F)c3)n2)cccc1[N+](=O)[O-] ZINC000610253543 460098401 /nfs/dbraw/zinc/09/84/01/460098401.db2.gz NLBYBXWTEHHFMU-UHFFFAOYSA-N -1 3 342.286 3.345 20 5 EGBDHM CC(C)(C)OCc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000610639031 460202854 /nfs/dbraw/zinc/20/28/54/460202854.db2.gz ZITJLIGXPNFDBW-UHFFFAOYSA-N -1 3 345.355 3.263 20 5 EGBDHM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C ZINC000604017782 460370188 /nfs/dbraw/zinc/37/01/88/460370188.db2.gz GMBZZCJDLIBYRD-BREBYQMCSA-N -1 3 346.836 3.351 20 5 EGBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)c2ccsc2)c1C ZINC000619752124 460430428 /nfs/dbraw/zinc/43/04/28/460430428.db2.gz ILNWYVGLNNNOHF-NSHDSACASA-N -1 3 340.426 3.313 20 5 EGBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)c2ccsc2)cc1C ZINC000619752129 460430455 /nfs/dbraw/zinc/43/04/55/460430455.db2.gz INFVYLXJSFCMPO-LLVKDONJSA-N -1 3 340.426 3.313 20 5 EGBDHM Cc1ccc([C@@H](C)N(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000737320250 576204985 /nfs/dbraw/zinc/20/49/85/576204985.db2.gz JHSJMIOPFYRCGO-GFCCVEGCSA-N -1 3 338.371 3.281 20 5 EGBDHM Cc1ccc([C@@H](C)N(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000737320250 576204987 /nfs/dbraw/zinc/20/49/87/576204987.db2.gz JHSJMIOPFYRCGO-GFCCVEGCSA-N -1 3 338.371 3.281 20 5 EGBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Oc1ccccc1OC(F)F ZINC000738360578 576317669 /nfs/dbraw/zinc/31/76/69/576317669.db2.gz YKTKAADJSOGATD-UHFFFAOYSA-N -1 3 349.253 3.169 20 5 EGBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Oc1ccccc1OC(F)F ZINC000738360578 576317672 /nfs/dbraw/zinc/31/76/72/576317672.db2.gz YKTKAADJSOGATD-UHFFFAOYSA-N -1 3 349.253 3.169 20 5 EGBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N(Cc1cccs1)C1CC1 ZINC000738360460 576317720 /nfs/dbraw/zinc/31/77/20/576317720.db2.gz XDFQDGJRRAZUPL-UHFFFAOYSA-N -1 3 342.384 3.005 20 5 EGBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N(Cc1cccs1)C1CC1 ZINC000738360460 576317723 /nfs/dbraw/zinc/31/77/23/576317723.db2.gz XDFQDGJRRAZUPL-UHFFFAOYSA-N -1 3 342.384 3.005 20 5 EGBDHM Cc1c(CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000832853637 601204477 /nfs/dbraw/zinc/20/44/77/601204477.db2.gz PWLLQUCVMQXESR-CXAGYDPISA-N -1 3 328.368 3.455 20 5 EGBDHM CCS[C@@H]1CCCC[C@@H]1Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000825668983 607842854 /nfs/dbraw/zinc/84/28/54/607842854.db2.gz NSFWQZRZDOHEDR-GXTWGEPZSA-N -1 3 348.432 3.251 20 5 EGBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cccnc1Cl ZINC000178419885 1294732786 /nfs/dbraw/zinc/73/27/86/1294732786.db2.gz BQKVGQSQLRFPES-UHFFFAOYSA-N -1 3 341.776 3.061 20 5 EGBDHM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000179624687 1294808628 /nfs/dbraw/zinc/80/86/28/1294808628.db2.gz VDMUHQMOXWIWAS-UHFFFAOYSA-N -1 3 344.751 3.497 20 5 EGBDHM Cc1cc(C2=N/C(=C\c3ccc([O-])c(F)c3)C(=O)O2)ccc1[N+](=O)[O-] ZINC000755374922 1300329300 /nfs/dbraw/zinc/32/93/00/1300329300.db2.gz BVMBXDIEHHLZKY-JYRVWZFOSA-N -1 3 342.282 3.092 20 5 EGBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(N(C)C)cc2)c1 ZINC000758391185 1300868616 /nfs/dbraw/zinc/86/86/16/1300868616.db2.gz XGRFTOFKGRRVTM-UHFFFAOYSA-N -1 3 349.412 3.078 20 5 EGBDHM C[C@@H](CC(F)(F)F)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000766615212 1302489257 /nfs/dbraw/zinc/48/92/57/1302489257.db2.gz LHAIVNKBIZLLSI-ZETCQYMHSA-N -1 3 326.221 3.144 20 5 EGBDHM COc1c([O-])ccc(CNc2ccc3c(c2)C[C@@H](C)O3)c1[N+](=O)[O-] ZINC000897114089 1310186074 /nfs/dbraw/zinc/18/60/74/1310186074.db2.gz JJTJEMUVBVGKHG-SNVBAGLBSA-N -1 3 330.340 3.245 20 5 EGBDHM Cc1cccc(C)c1NC(=O)C[N-]c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804342934 1317221012 /nfs/dbraw/zinc/22/10/12/1317221012.db2.gz VVXSNNYHPAMYSC-UHFFFAOYSA-N -1 3 344.327 3.170 20 5 EGBDHM COc1cccc2c(C(=O)OCc3cccc([N+](=O)[O-])c3C)n[n-]c21 ZINC000808672117 1317712481 /nfs/dbraw/zinc/71/24/81/1317712481.db2.gz DCDFYYCAQMRPOG-UHFFFAOYSA-N -1 3 341.323 3.145 20 5 EGBDHM COc1cccc2c(C(=O)OCc3cccc([N+](=O)[O-])c3C)[n-]nc21 ZINC000808672117 1317712483 /nfs/dbraw/zinc/71/24/83/1317712483.db2.gz DCDFYYCAQMRPOG-UHFFFAOYSA-N -1 3 341.323 3.145 20 5 EGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCCCCCC2)c(F)c1 ZINC000917842025 1319879522 /nfs/dbraw/zinc/87/95/22/1319879522.db2.gz CRUNERILTGRZPR-UHFFFAOYSA-N -1 3 330.381 3.125 20 5 EGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(Br)ncc2F)c1 ZINC001199818966 1369276928 /nfs/dbraw/zinc/27/69/28/1369276928.db2.gz IUCUEWUBZDDTOJ-UHFFFAOYSA-N -1 3 328.097 3.341 20 5 EGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(Br)cc2CO)c1 ZINC001201222090 1369498767 /nfs/dbraw/zinc/49/87/67/1369498767.db2.gz KCQCTVHDKZKCEF-UHFFFAOYSA-N -1 3 339.145 3.299 20 5 EGBDHM O=C1CCCN1Cc1ccccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201224647 1369499547 /nfs/dbraw/zinc/49/95/47/1369499547.db2.gz OVCTXQRVTGKSJE-UHFFFAOYSA-N -1 3 327.340 3.166 20 5 EGBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@H]1CC[C@H](OCc2ccccc2)C1 ZINC001225664704 1375140747 /nfs/dbraw/zinc/14/07/47/1375140747.db2.gz RLUCVAOFFNGQEK-KBPBESRZSA-N -1 3 330.340 3.212 20 5 EGBDHM Cc1c([N-]S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC001348493181 1391228075 /nfs/dbraw/zinc/22/80/75/1391228075.db2.gz PEAPHDMSGGYGOG-XJKSGUPXSA-N -1 3 332.381 3.201 20 5 EGBDHM C[C@@]1(C(=O)[O-])CCCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000901696371 980452888 /nfs/dbraw/zinc/45/28/88/980452888.db2.gz AWVHSLNTWAVGNB-CQSZACIVSA-N -1 3 346.305 3.300 20 5 EGBDHM CC[C@@](C)(CC(=O)[O-])NCc1cc([N+](=O)[O-])ccc1Br ZINC001594824819 981982325 /nfs/dbraw/zinc/98/23/25/981982325.db2.gz FMKBSGCDCICLLP-ZDUSSCGKSA-N -1 3 345.193 3.090 20 5 EGBDHM CC[C@](C)(CC(=O)[O-])NCc1ccc([N+](=O)[O-])cc1Br ZINC001594825111 981983746 /nfs/dbraw/zinc/98/37/46/981983746.db2.gz KCPWPMDIJIOCQG-CYBMUJFWSA-N -1 3 345.193 3.090 20 5 EGBDHM O=C(Nc1cc(Cl)ccc1[O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000021027558 212200617 /nfs/dbraw/zinc/20/06/17/212200617.db2.gz MEHCQBAZQVFKOP-UHFFFAOYSA-N -1 3 337.675 3.114 20 5 EGBDHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000261703316 304143136 /nfs/dbraw/zinc/14/31/36/304143136.db2.gz KDRVNUGZUVQRJW-XEGUGMAKSA-N -1 3 338.791 3.466 20 5 EGBDHM CC(C)C[C@H](CNCc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)[O-] ZINC000263456399 141050779 /nfs/dbraw/zinc/05/07/79/141050779.db2.gz CEIHHDNJCMKZNG-LLVKDONJSA-N -1 3 346.330 3.033 20 5 EGBDHM COc1ccc(Cl)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000194938197 153366389 /nfs/dbraw/zinc/36/63/89/153366389.db2.gz JJPSDXQXIFDVRJ-UHFFFAOYSA-N -1 3 342.760 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328.368 3.395 20 5 EGBDHM CN(Cc1ccccc1)[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000611274220 460326186 /nfs/dbraw/zinc/32/61/86/460326186.db2.gz RODXTTBACREMLE-QGZVFWFLSA-N -1 3 341.411 3.007 20 5 EGBDHM Cc1c(CSc2ccccc2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000737216646 576137738 /nfs/dbraw/zinc/13/77/38/576137738.db2.gz VDHZUSDDDOBMHV-UHFFFAOYSA-N -1 3 327.369 3.376 20 5 EGBDHM Cc1c(CSc2ccccc2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000737216646 576137737 /nfs/dbraw/zinc/13/77/37/576137737.db2.gz VDHZUSDDDOBMHV-UHFFFAOYSA-N -1 3 327.369 3.376 20 5 EGBDHM Cc1ccc([C@H](C)CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000737321673 576205660 /nfs/dbraw/zinc/20/56/60/576205660.db2.gz UVIRRERLLQLPEI-GFCCVEGCSA-N -1 3 338.371 3.299 20 5 EGBDHM Cc1ccc([C@H](C)CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000737321673 576205661 /nfs/dbraw/zinc/20/56/61/576205661.db2.gz UVIRRERLLQLPEI-GFCCVEGCSA-N -1 3 338.371 3.299 20 5 EGBDHM O=[N+]([O-])c1ccc(CSc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000823639646 606172642 /nfs/dbraw/zinc/17/26/42/606172642.db2.gz FFVCFGBURAKEFC-UHFFFAOYSA-N -1 3 331.332 3.206 20 5 EGBDHM O=[N+]([O-])c1ccc(CSc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000823639646 606172643 /nfs/dbraw/zinc/17/26/43/606172643.db2.gz FFVCFGBURAKEFC-UHFFFAOYSA-N -1 3 331.332 3.206 20 5 EGBDHM CC(C)c1nsc([N-]C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)n1 ZINC000874695952 1298042185 /nfs/dbraw/zinc/04/21/85/1298042185.db2.gz WNKPGOWRYUNXQT-UHFFFAOYSA-N -1 3 326.765 3.475 20 5 EGBDHM Cc1cccc(C(C)(C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768829733 1302989721 /nfs/dbraw/zinc/98/97/21/1302989721.db2.gz BDAMQEOKOKUPEZ-UHFFFAOYSA-N -1 3 340.426 3.178 20 5 EGBDHM Cc1cccc([C@@H](C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1C ZINC000768832397 1302990821 /nfs/dbraw/zinc/99/08/21/1302990821.db2.gz JDINFWONMJNYGA-LLVKDONJSA-N -1 3 340.426 3.313 20 5 EGBDHM COc1c([O-])ccc(CN2CC(C)(C)[C@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000894585660 1308967316 /nfs/dbraw/zinc/96/73/16/1308967316.db2.gz UGOLWUSAKILNDN-QGZVFWFLSA-N -1 3 343.383 3.287 20 5 EGBDHM CCc1ccccc1[C@@H](CC(=O)[O-])NCc1cccc([N+](=O)[O-])c1 ZINC000864527021 1329622890 /nfs/dbraw/zinc/62/28/90/1329622890.db2.gz AOWCAIIDJAUXSP-QGZVFWFLSA-N -1 3 328.368 3.463 20 5 EGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cn3c(cccc3Br)n2)c1 ZINC001199828478 1369278373 /nfs/dbraw/zinc/27/83/73/1369278373.db2.gz JLTCVQSFNOBJEJ-UHFFFAOYSA-N -1 3 349.144 3.454 20 5 EGBDHM Cc1ccc(CNC[C@@H](CCC(=O)[O-])C(F)(F)F)cc1[N+](=O)[O-] ZINC001118578991 1371201694 /nfs/dbraw/zinc/20/16/94/1371201694.db2.gz RSYVNBHBYATQBO-LLVKDONJSA-N -1 3 334.294 3.036 20 5 EGBDHM O=c1[n-]cc(-c2nc(-c3ccc(F)cc3Cl)no2)cc1[N+](=O)[O-] ZINC001212844522 1372783604 /nfs/dbraw/zinc/78/36/04/1372783604.db2.gz YFHMPMQUULJLFE-UHFFFAOYSA-N -1 3 336.666 3.205 20 5 EGBDHM COc1ccc(-c2noc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2)c(Cl)c1 ZINC001212935791 1372799206 /nfs/dbraw/zinc/79/92/06/1372799206.db2.gz NGMKWWUUAVKBQE-UHFFFAOYSA-N -1 3 348.702 3.074 20 5 EGBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@H]1CC[C@@H](OCc2ccccc2)C1 ZINC001225664706 1375140798 /nfs/dbraw/zinc/14/07/98/1375140798.db2.gz RLUCVAOFFNGQEK-KGLIPLIRSA-N -1 3 330.340 3.212 20 5 EGBDHM CCN(CC)C(=O)[C@H](Oc1c([O-])cccc1[N+](=O)[O-])c1ccccc1 ZINC001226333473 1375242132 /nfs/dbraw/zinc/24/21/32/1375242132.db2.gz KGIJWXQTDCNNQB-MRXNPFEDSA-N -1 3 344.367 3.289 20 5 EGBDHM Cc1[n-]c(=O)cc(O[C@H](c2cccnc2)C(F)(F)F)c1[N+](=O)[O-] ZINC001228687656 1375641481 /nfs/dbraw/zinc/64/14/81/1375641481.db2.gz ZHUJNLJCBFVLDP-GFCCVEGCSA-N -1 3 329.234 3.081 20 5 EGBDHM C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820413627 1425072348 /nfs/dbraw/zinc/07/23/48/1425072348.db2.gz SRFHYYFLBOSFAG-NEPJUHHUSA-N -1 3 338.371 3.187 20 5 EGBDHM C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820413627 1425072355 /nfs/dbraw/zinc/07/23/55/1425072355.db2.gz SRFHYYFLBOSFAG-NEPJUHHUSA-N -1 3 338.371 3.187 20 5 EGBDHM O=C([O-])CN(Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CCC1 ZINC001595072792 951612203 /nfs/dbraw/zinc/61/22/03/951612203.db2.gz OVMIXTRTDNBRFZ-UHFFFAOYSA-N -1 3 333.171 3.341 20 5 EGBDHM CCOc1cc(CN[C@H](C(=O)[O-])c2cccc(C)c2)ccc1[N+](=O)[O-] ZINC001603857944 974359045 /nfs/dbraw/zinc/35/90/45/974359045.db2.gz WNGOUVMBTUURJJ-KRWDZBQOSA-N -1 3 344.367 3.217 20 5 EGBDHM COc1cccc([C@@](C)(CC(=O)[O-])NCc2cccc([N+](=O)[O-])c2)c1 ZINC001599655471 994571577 /nfs/dbraw/zinc/57/15/77/994571577.db2.gz KUBIXMDKDLXBDJ-GOSISDBHSA-N -1 3 344.367 3.083 20 5 EGBDHM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1cc(F)cc2nccnc21 ZINC000347964094 141225211 /nfs/dbraw/zinc/22/52/11/141225211.db2.gz UYZBRDFMWZDSNV-UHFFFAOYSA-N -1 3 330.250 3.069 20 5 EGBDHM O=C(Nc1ncc(-c2ccccc2)s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186914320 144147064 /nfs/dbraw/zinc/14/70/64/144147064.db2.gz YVAUINWXKIDFAN-UHFFFAOYSA-N -1 3 342.336 3.071 20 5 EGBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1ncoc1[C@@H]1CCCO1 ZINC000341645136 155397620 /nfs/dbraw/zinc/39/76/20/155397620.db2.gz RRSTVDJYPMICBE-ZDUSSCGKSA-N -1 3 347.327 3.085 20 5 EGBDHM Cc1ccc(S(=O)(=O)[N-]CC2CCC(F)(F)CC2)c([N+](=O)[O-])c1 ZINC000336968035 154249741 /nfs/dbraw/zinc/24/97/41/154249741.db2.gz AIEQXWUKDGUEIW-UHFFFAOYSA-N -1 3 348.371 3.007 20 5 EGBDHM Cc1ccc([C@@H](C)NC(=O)c2c(F)ccc([O-])c2F)cc1[N+](=O)[O-] ZINC000348852372 156263086 /nfs/dbraw/zinc/26/30/86/156263086.db2.gz LHEWOVYIKHPHRM-SECBINFHSA-N -1 3 336.294 3.378 20 5 EGBDHM CC(=O)c1csc([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000070978848 161639293 /nfs/dbraw/zinc/63/92/93/161639293.db2.gz OLEARVMCYFMSER-UHFFFAOYSA-N -1 3 325.733 3.160 20 5 EGBDHM CCOc1cc([N-]C(=O)c2coc(CC)n2)c([N+](=O)[O-])cc1OCC ZINC000346498312 164387183 /nfs/dbraw/zinc/38/71/83/164387183.db2.gz XXFQAERIFOMKDJ-UHFFFAOYSA-N -1 3 349.343 3.195 20 5 EGBDHM Cc1nc(-c2ccccc2)c([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])s1 ZINC000355492252 166219677 /nfs/dbraw/zinc/21/96/77/166219677.db2.gz KMBVJALKDGGZHG-UHFFFAOYSA-N -1 3 343.368 3.013 20 5 EGBDHM CC1(C)CC[C@H](C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)C1 ZINC000359501998 167172930 /nfs/dbraw/zinc/17/29/30/167172930.db2.gz UHFDCETZMQZCLO-LBPRGKRZSA-N -1 3 328.372 3.172 20 5 EGBDHM CC[C@@](C)(CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000278022772 267926105 /nfs/dbraw/zinc/92/61/05/267926105.db2.gz QGELLHZLZQXASM-INIZCTEOSA-N -1 3 349.412 3.309 20 5 EGBDHM CCC(CC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000162686569 275196307 /nfs/dbraw/zinc/19/63/07/275196307.db2.gz IYDXYEJSUYZUDL-UHFFFAOYSA-N -1 3 340.323 3.081 20 5 EGBDHM CNc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000301062107 308686619 /nfs/dbraw/zinc/68/66/19/308686619.db2.gz SHYLXYXVGRNWPQ-UHFFFAOYSA-N -1 3 335.385 3.054 20 5 EGBDHM CC(C)c1[nH]nc(C(=O)[N-]c2cc(F)c(F)c(F)c2)c1[N+](=O)[O-] ZINC000434239850 309707263 /nfs/dbraw/zinc/70/72/63/309707263.db2.gz NITVCISWTDMHPG-UHFFFAOYSA-N -1 3 328.250 3.111 20 5 EGBDHM O=C([N-]c1cc(-c2cccc(F)c2)on1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000448538949 310005534 /nfs/dbraw/zinc/00/55/34/310005534.db2.gz RBTBBFNNLBPVDX-UHFFFAOYSA-N -1 3 345.261 3.202 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EGBDHM Cc1cc(C)c([N+](=O)[O-])cc1[N-]C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269297863 255560844 /nfs/dbraw/zinc/56/08/44/255560844.db2.gz BAAMTIKQRAXVPK-UHFFFAOYSA-N -1 3 347.331 3.219 20 5 EGBDHM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1cc2nccnc2cc1F ZINC000348014758 141232430 /nfs/dbraw/zinc/23/24/30/141232430.db2.gz POZARWRAXCEEDK-UHFFFAOYSA-N -1 3 330.250 3.069 20 5 EGBDHM COc1ccc([N+](=O)[O-])cc1CSc1n[n-]c(-c2ccccn2)n1 ZINC000117115929 152085745 /nfs/dbraw/zinc/08/57/45/152085745.db2.gz XHNRNWCBUHFNTQ-UHFFFAOYSA-N -1 3 343.368 3.076 20 5 EGBDHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000341010790 155124049 /nfs/dbraw/zinc/12/40/49/155124049.db2.gz DIFIISOSEXIMCV-MWLCHTKSSA-N -1 3 332.809 3.105 20 5 EGBDHM Cc1ccc(-c2nc([N-]C(=O)c3cc(F)cc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000344255202 164138687 /nfs/dbraw/zinc/13/86/87/164138687.db2.gz VVDACOCTGWLTIK-UHFFFAOYSA-N -1 3 341.302 3.080 20 5 EGBDHM O=[N+]([O-])c1ccccc1Cc1noc(-c2n[n-]nc2-c2ccccc2)n1 ZINC000345535311 164212163 /nfs/dbraw/zinc/21/21/63/164212163.db2.gz JDJCFNMXLGJLJT-UHFFFAOYSA-N -1 3 348.322 3.021 20 5 EGBDHM CCS[C@H](C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)C(C)C ZINC000355658021 166276422 /nfs/dbraw/zinc/27/64/22/166276422.db2.gz BAVBCHKKOMVJEA-HNNXBMFYSA-N -1 3 348.428 3.123 20 5 EGBDHM Cc1ccc([O-])c(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000163861296 226023476 /nfs/dbraw/zinc/02/34/76/226023476.db2.gz CYHKOXIVSHKODN-UHFFFAOYSA-N -1 3 326.352 3.414 20 5 EGBDHM Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c([O-])c1 ZINC000179924774 265392482 /nfs/dbraw/zinc/39/24/82/265392482.db2.gz ZGRUTGHBXNJIPR-UHFFFAOYSA-N -1 3 338.266 3.463 20 5 EGBDHM CC(C)Oc1cc([O-])ccc1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000277323947 267760010 /nfs/dbraw/zinc/76/00/10/267760010.db2.gz AAJUOKVGORTBFE-UHFFFAOYSA-N -1 3 348.359 3.186 20 5 EGBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1noc2c1CCCC2 ZINC000281244522 275533305 /nfs/dbraw/zinc/53/33/05/275533305.db2.gz FVPWXUMCOABWIV-UHFFFAOYSA-N -1 3 331.328 3.113 20 5 EGBDHM COc1ccc([N-]C(=O)c2coc(Br)c2)c([N+](=O)[O-])c1 ZINC000074382070 307393186 /nfs/dbraw/zinc/39/31/86/307393186.db2.gz VHCPGBQJZIKHBG-UHFFFAOYSA-N -1 3 341.117 3.211 20 5 EGBDHM O=C(Nc1cc(Br)ccc1[O-])c1ccc([N+](=O)[O-])s1 ZINC000085589916 307445004 /nfs/dbraw/zinc/44/50/04/307445004.db2.gz IPWDPRUWMATGNM-UHFFFAOYSA-N -1 3 343.158 3.377 20 5 EGBDHM Cc1cccnc1C(F)(F)C(=O)[N-]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000293846903 308167197 /nfs/dbraw/zinc/16/71/97/308167197.db2.gz CJVZBJOBCMLOJM-UHFFFAOYSA-N -1 3 349.337 3.442 20 5 EGBDHM CCCc1cc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)no1 ZINC000294447335 308221508 /nfs/dbraw/zinc/22/15/08/308221508.db2.gz LAKQMKLFPHCYPN-UHFFFAOYSA-N -1 3 341.270 3.389 20 5 EGBDHM CCc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)s1 ZINC000411281187 308933369 /nfs/dbraw/zinc/93/33/69/308933369.db2.gz SWPQVAPJXRSPTB-UHFFFAOYSA-N -1 3 336.373 3.048 20 5 EGBDHM COc1ccc(CN[C@@H](CCC(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000417602451 309213307 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20 5 EGBDHM Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2Cl)ccc1[N+](=O)[O-] ZINC000568132938 316728285 /nfs/dbraw/zinc/72/82/85/316728285.db2.gz DFQREOKUBSPHSR-UHFFFAOYSA-N -1 3 344.751 3.497 20 5 EGBDHM C[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC000569931138 316984661 /nfs/dbraw/zinc/98/46/61/316984661.db2.gz UJWQYBVKYYGDNM-PXAZEXFGSA-N -1 3 343.383 3.396 20 5 EGBDHM O=C(Nc1cc(Br)ccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000176430835 323329823 /nfs/dbraw/zinc/32/98/23/323329823.db2.gz RUORCXIOHKEJBR-UHFFFAOYSA-N -1 3 337.129 3.315 20 5 EGBDHM Cc1cc(Cl)cc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])c1[O-] ZINC000580729091 325289767 /nfs/dbraw/zinc/28/97/67/325289767.db2.gz PZGRTMKSSRFJDV-UHFFFAOYSA-N -1 3 349.774 3.337 20 5 EGBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C[C@H](C)C(=O)[O-])C1CC1 ZINC000581018521 325321755 /nfs/dbraw/zinc/32/17/55/325321755.db2.gz ZMVZNLUBUWGGPS-LBPRGKRZSA-N -1 3 336.388 3.067 20 5 EGBDHM CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000462703895 458644233 /nfs/dbraw/zinc/64/42/33/458644233.db2.gz OKERROYGKONWCX-NXEZZACHSA-N -1 3 334.825 3.351 20 5 EGBDHM CCOC(=O)c1cc(C(=O)Nc2ccc(C)cc2[O-])cc([N+](=O)[O-])c1 ZINC000012599017 453381223 /nfs/dbraw/zinc/38/12/23/453381223.db2.gz ZTMQFUFRBWTTNA-UHFFFAOYSA-N -1 3 344.323 3.038 20 5 EGBDHM C[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[C@@H]1C(=O)[O-] ZINC000600803632 460611244 /nfs/dbraw/zinc/61/12/44/460611244.db2.gz XOBMOJPUJYZMET-OCCSQVGLSA-N -1 3 344.367 3.397 20 5 EGBDHM C[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[C@H]1C(=O)[O-] ZINC000600803633 460611271 /nfs/dbraw/zinc/61/12/71/460611271.db2.gz XOBMOJPUJYZMET-TZMCWYRMSA-N -1 3 344.367 3.397 20 5 EGBDHM O=C(Nc1cccc(OC(F)F)c1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000053434219 453878795 /nfs/dbraw/zinc/87/87/95/453878795.db2.gz OSHDTANMPDQTLG-UHFFFAOYSA-N -1 3 348.265 3.325 20 5 EGBDHM Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)cc1[N+](=O)[O-] ZINC000076195290 453978143 /nfs/dbraw/zinc/97/81/43/453978143.db2.gz IDERVBCHSDDUIE-UHFFFAOYSA-N 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ZINC000182238946 455469155 /nfs/dbraw/zinc/46/91/55/455469155.db2.gz XPQSUEADMXTYHW-UHFFFAOYSA-N -1 3 331.303 3.485 20 5 EGBDHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)ccc1[N+](=O)[O-] ZINC000172181835 455132451 /nfs/dbraw/zinc/13/24/51/455132451.db2.gz LHTYSSKIFDTSBA-UHFFFAOYSA-N -1 3 344.751 3.497 20 5 EGBDHM O=C([N-]c1cc(F)c(Br)c(F)c1)c1ccc([N+](=O)[O-])o1 ZINC000181986955 455411288 /nfs/dbraw/zinc/41/12/88/455411288.db2.gz KCKDQVSPAQDDDI-UHFFFAOYSA-N -1 3 347.071 3.481 20 5 EGBDHM O=C([N-]c1nc(Cc2ccccc2)cs1)c1ccc([N+](=O)[O-])o1 ZINC000192711731 455676150 /nfs/dbraw/zinc/67/61/50/455676150.db2.gz RJKKELQUFJPLRN-UHFFFAOYSA-N -1 3 329.337 3.487 20 5 EGBDHM C[C@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])c2c([O-])cccc21 ZINC000186323066 455743522 /nfs/dbraw/zinc/74/35/22/455743522.db2.gz JYVOVNGFQVDONS-LBPRGKRZSA-N -1 3 342.351 3.220 20 5 EGBDHM C[C@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])c2c([O-])cccc21 ZINC000186334027 455746008 /nfs/dbraw/zinc/74/60/08/455746008.db2.gz JZLIGOSMUZIWPT-LBPRGKRZSA-N -1 3 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O=c1[n-]ccc(NC[C@H]2CCCN(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000596214465 459562426 /nfs/dbraw/zinc/56/24/26/459562426.db2.gz HLVURYDISWTLHY-CYBMUJFWSA-N -1 3 328.372 3.024 20 5 EGBDHM Cc1oc(C)c(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)c1C ZINC000609202155 459924834 /nfs/dbraw/zinc/92/48/34/459924834.db2.gz IPQODKLDQDRRNB-UHFFFAOYSA-N -1 3 340.339 3.177 20 5 EGBDHM CC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000609419494 459961604 /nfs/dbraw/zinc/96/16/04/459961604.db2.gz GMVFOQAJWCQKMK-UHFFFAOYSA-N -1 3 332.809 3.107 20 5 EGBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000610509434 460170954 /nfs/dbraw/zinc/17/09/54/460170954.db2.gz XZQCDTYTAJGJGB-MELADBBJSA-N -1 3 338.429 3.232 20 5 EGBDHM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000604017787 460369962 /nfs/dbraw/zinc/36/99/62/460369962.db2.gz GMBZZCJDLIBYRD-NRUUGDAUSA-N -1 3 346.836 3.351 20 5 EGBDHM COc1ccc([N-]C(=O)c2c(C)noc2C(F)F)cc1[N+](=O)[O-] ZINC000611782132 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CCN1CCN(c2ccc(Nc3ccc([O-])c([N+](=O)[O-])c3)cc2)CC1 ZINC001210395277 1372341445 /nfs/dbraw/zinc/34/14/45/1372341445.db2.gz STZFBFOWJAHWKQ-UHFFFAOYSA-N -1 3 342.399 3.186 20 5 EGBDHM Cc1ccccc1-c1noc(-c2[n-]nc(C(F)(F)F)c2[N+](=O)[O-])n1 ZINC001212973341 1372809283 /nfs/dbraw/zinc/80/92/83/1372809283.db2.gz XNJNBSKNPFWVLM-UHFFFAOYSA-N -1 3 339.233 3.362 20 5 EGBDHM COc1cccc2nc(=O)[n-]c(O[C@H](C)c3ccccc3[N+](=O)[O-])c21 ZINC001229239258 1375792055 /nfs/dbraw/zinc/79/20/55/1375792055.db2.gz LTCWFICGORXFJR-SNVBAGLBSA-N -1 3 341.323 3.392 20 5 EGBDHM CCc1ccccc1CN[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001597609561 988496974 /nfs/dbraw/zinc/49/69/74/988496974.db2.gz RZJSGSLUDPCJRP-SFHVURJKSA-N -1 3 328.368 3.247 20 5 EGBDHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000262565070 304142981 /nfs/dbraw/zinc/14/29/81/304142981.db2.gz WLSDTDREBKHXQT-XEGUGMAKSA-N -1 3 338.791 3.466 20 5 EGBDHM O=C([N-]c1nc(-c2cccnc2)cs1)c1ccc([N+](=O)[O-])s1 ZINC000006969356 140755753 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Cc1cccc([C@H](C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1C ZINC000523732778 459326809 /nfs/dbraw/zinc/32/68/09/459326809.db2.gz YJSFXWRLPVHKFE-ZDUSSCGKSA-N -1 3 334.397 3.251 20 5 EGBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000569347424 459436498 /nfs/dbraw/zinc/43/64/98/459436498.db2.gz BMQUGDNZLZEBOV-OAHLLOKOSA-N -1 3 348.399 3.069 20 5 EGBDHM CCc1nn(C)c([N-]c2cc(C)n(C3CCCCC3)n2)c1[N+](=O)[O-] ZINC000569519040 459464048 /nfs/dbraw/zinc/46/40/48/459464048.db2.gz YJBWXBNZVGLBRB-UHFFFAOYSA-N -1 3 332.408 3.066 20 5 EGBDHM O=c1[n-]ccc(NC[C@@H]2CCCO[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000596091425 459517157 /nfs/dbraw/zinc/51/71/57/459517157.db2.gz ZLHIYYOPYFSHNU-XJKSGUPXSA-N -1 3 329.356 3.275 20 5 EGBDHM COc1cc(CN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])ccc1SC ZINC000596096132 459518644 /nfs/dbraw/zinc/51/86/44/459518644.db2.gz BTGVZYVZKJXHFQ-UHFFFAOYSA-N -1 3 335.385 3.062 20 5 EGBDHM CC1([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCCC1 ZINC000497765875 459556818 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5 EGBDHM O=[N+]([O-])c1cc(Br)cnc1[N-]c1cnn(CC2CC2)c1 ZINC000610770001 460234339 /nfs/dbraw/zinc/23/43/39/460234339.db2.gz GURHFRPLNXATBL-UHFFFAOYSA-N -1 3 338.165 3.102 20 5 EGBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1CCCC[C@@H]1C ZINC000604431845 460426207 /nfs/dbraw/zinc/42/62/07/460426207.db2.gz GXKIYSPSFGUEIY-AAEUAGOBSA-N -1 3 326.418 3.008 20 5 EGBDHM COc1ccc([N-]C(=O)c2csc([C@H]3CCCO3)n2)c([N+](=O)[O-])c1 ZINC000165074211 534177490 /nfs/dbraw/zinc/17/74/90/534177490.db2.gz MUGKXXFCOHTSCN-CYBMUJFWSA-N -1 3 349.368 3.164 20 5 EGBDHM CC[C@@H]1CCc2nc([N-]C(=O)c3nn(CC)cc3[N+](=O)[O-])sc2C1 ZINC000191549696 529345224 /nfs/dbraw/zinc/34/52/24/529345224.db2.gz HRWJMINHLPPRKR-SECBINFHSA-N -1 3 349.416 3.035 20 5 EGBDHM O=[N+]([O-])c1ccc(F)cc1CNc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000738371683 574614772 /nfs/dbraw/zinc/61/47/72/574614772.db2.gz WLMDDPXWORRFLP-UHFFFAOYSA-N -1 3 348.725 3.180 20 5 EGBDHM O=[N+]([O-])c1ccc(F)cc1CNc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000738371683 574614775 /nfs/dbraw/zinc/61/47/75/574614775.db2.gz WLMDDPXWORRFLP-UHFFFAOYSA-N -1 3 348.725 3.180 20 5 EGBDHM CC(C)Oc1ccc(OC(=O)c2[n-]nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000735272395 575633723 /nfs/dbraw/zinc/63/37/23/575633723.db2.gz CACDZOPVZPUOJW-UHFFFAOYSA-N -1 3 341.323 3.478 20 5 EGBDHM CC(C)Oc1ccc(OC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000735272395 575633726 /nfs/dbraw/zinc/63/37/26/575633726.db2.gz CACDZOPVZPUOJW-UHFFFAOYSA-N -1 3 341.323 3.478 20 5 EGBDHM O=C([O-])[C@H](NCCNc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000739508981 576421455 /nfs/dbraw/zinc/42/14/55/576421455.db2.gz QWKJJAVADOICAH-OAHLLOKOSA-N -1 3 349.774 3.076 20 5 EGBDHM CCC(CC)(C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])SC ZINC000742337496 576770078 /nfs/dbraw/zinc/77/00/78/576770078.db2.gz HOFPOSZCWVICJT-UHFFFAOYSA-N -1 3 346.474 3.103 20 5 EGBDHM COc1cc(CSc2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000826180080 609420710 /nfs/dbraw/zinc/42/07/10/609420710.db2.gz RHDSXJGTGNTVOM-UHFFFAOYSA-N -1 3 343.368 3.076 20 5 EGBDHM COc1cc(CSc2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000826180080 609420712 /nfs/dbraw/zinc/42/07/12/609420712.db2.gz RHDSXJGTGNTVOM-UHFFFAOYSA-N -1 3 343.368 3.076 20 5 EGBDHM Cc1nn(C)c2sc(C(=O)[N-]c3cc([N+](=O)[O-])ccc3F)cc12 ZINC000248034929 1296404064 /nfs/dbraw/zinc/40/40/64/1296404064.db2.gz QRNPQIJRVUHYRE-UHFFFAOYSA-N -1 3 334.332 3.243 20 5 EGBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000769245029 1303080001 /nfs/dbraw/zinc/08/00/01/1303080001.db2.gz PWCNECTXVCNTLV-MOPGFXCFSA-N -1 3 342.395 3.389 20 5 EGBDHM COc1c([O-])c(/C=C2/C(=O)Nc3ccc(Cl)cc32)ccc1[N+](=O)[O-] ZINC000772175336 1303500391 /nfs/dbraw/zinc/50/03/91/1303500391.db2.gz GRRGBTALHZZJNW-IZZDOVSWSA-N -1 3 346.726 3.455 20 5 EGBDHM O=c1[n-]ccc(N2CCC[C@H]2COc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000853153573 1325055692 /nfs/dbraw/zinc/05/56/92/1325055692.db2.gz WURGKOUALXUPJN-LBPRGKRZSA-N -1 3 349.774 3.397 20 5 EGBDHM Cc1ccc([N+](=O)[O-])c(NCCCN(C)C(=O)c2ccccc2[O-])c1 ZINC001109384340 1367097548 /nfs/dbraw/zinc/09/75/48/1367097548.db2.gz OOYOFBWRTYBSSG-UHFFFAOYSA-N -1 3 343.383 3.183 20 5 EGBDHM O=C(c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1)N1CCCC1 ZINC001201223236 1369498832 /nfs/dbraw/zinc/49/88/32/1369498832.db2.gz ZGWQFJGBQRCIGI-UHFFFAOYSA-N -1 3 327.340 3.280 20 5 EGBDHM CCOC(=O)c1cc(F)c(F)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201230132 1369500053 /nfs/dbraw/zinc/50/00/53/1369500053.db2.gz ZOFAEJLOCKWHHE-UHFFFAOYSA-N -1 3 338.266 3.499 20 5 EGBDHM O=c1nc(-c2cc([N+](=O)[O-])ccn2)[n-]c2sc3c(c21)CCCS3 ZINC001325851718 1388055466 /nfs/dbraw/zinc/05/54/66/1388055466.db2.gz DRGZZQFOKBRJDL-UHFFFAOYSA-N -1 3 346.393 3.405 20 5 EGBDHM C[C@H](CCCC(=O)[O-])NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001116762324 1370969133 /nfs/dbraw/zinc/96/91/33/1370969133.db2.gz KOJCODRIFOKHES-LLVKDONJSA-N -1 3 349.412 3.451 20 5 EGBDHM O=[N+]([O-])c1ccccc1[N-]c1ncnc2c1ncn2[C@H]1CCCCO1 ZINC001206150284 1370973787 /nfs/dbraw/zinc/97/37/87/1370973787.db2.gz MCOSVOLRGJMLEL-CYBMUJFWSA-N -1 3 340.343 3.177 20 5 EGBDHM O=[N+]([O-])c1cc(F)ccc1[N-]c1nc(Cl)c(Cl)nc1CO ZINC001210952849 1372460025 /nfs/dbraw/zinc/46/00/25/1372460025.db2.gz SQMIVTWMCWAPFQ-UHFFFAOYSA-N -1 3 333.106 3.067 20 5 EGBDHM COC(=O)C[C@@H]1CCC[C@H](Oc2nc3cc([N+](=O)[O-])c(C)cc3[n-]2)C1 ZINC001228674719 1375636679 /nfs/dbraw/zinc/63/66/79/1375636679.db2.gz LSFHZSQZNUSTPG-NEPJUHHUSA-N -1 3 347.371 3.280 20 5 EGBDHM COC(=O)C[C@@H]1CCC[C@@H](Oc2nc3cc([N+](=O)[O-])c(C)cc3[n-]2)C1 ZINC001228674726 1375637520 /nfs/dbraw/zinc/63/75/20/1375637520.db2.gz LSFHZSQZNUSTPG-VXGBXAGGSA-N -1 3 347.371 3.280 20 5 EGBDHM Cc1ccc(C(=O)c2ccc([O-])c(O[C@H](C[N+](=O)[O-])C3CC3)c2)cc1 ZINC001229537416 1375852798 /nfs/dbraw/zinc/85/27/98/1375852798.db2.gz KRCVRWFREXXJAQ-GOSISDBHSA-N -1 3 341.363 3.366 20 5 EGBDHM Cc1ncc(Nc2ccc3ccc4ccc(Cl)nc4c3n2)c(=O)[n-]1 ZINC001162300488 1382725738 /nfs/dbraw/zinc/72/57/38/1382725738.db2.gz IEXDEVQINOFCKW-GFCCVEGCSA-N -1 3 337.770 3.246 20 5 EGBDHM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccc(Cl)o1 ZINC000078239422 284287125 /nfs/dbraw/zinc/28/71/25/284287125.db2.gz UBUCVCSYNOELGX-UHFFFAOYSA-N -1 3 338.703 3.255 20 5 EGBDHM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1occc1Br ZINC000347975855 141227002 /nfs/dbraw/zinc/22/70/02/141227002.db2.gz IGPRWVHGCAAUGA-UHFFFAOYSA-N -1 3 329.081 3.342 20 5 EGBDHM COc1ccc(CSc2n[n-]c(-c3ccccn3)n2)cc1[N+](=O)[O-] ZINC000117115042 152086242 /nfs/dbraw/zinc/08/62/42/152086242.db2.gz JUSZNACGVULAKJ-UHFFFAOYSA-N -1 3 343.368 3.076 20 5 EGBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000122651963 162250942 /nfs/dbraw/zinc/25/09/42/162250942.db2.gz LHEWWBFQXVJLIJ-VIFPVBQESA-N -1 3 326.399 3.004 20 5 EGBDHM Cc1[nH]nc(C(=O)[N-]c2nc3c(cc(C)cc3C)s2)c1[N+](=O)[O-] ZINC000343803082 164038685 /nfs/dbraw/zinc/03/86/85/164038685.db2.gz HXDWXEFBUYEYMP-UHFFFAOYSA-N -1 3 331.357 3.105 20 5 EGBDHM CCS[C@@H](C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)C(C)C ZINC000355658023 166275856 /nfs/dbraw/zinc/27/58/56/166275856.db2.gz BAVBCHKKOMVJEA-OAHLLOKOSA-N -1 3 348.428 3.123 20 5 EGBDHM CC1(C)CC[C@@H](C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)C1 ZINC000359501995 167173195 /nfs/dbraw/zinc/17/31/95/167173195.db2.gz UHFDCETZMQZCLO-GFCCVEGCSA-N -1 3 328.372 3.172 20 5 EGBDHM C[C@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)c2c([O-])cccc21 ZINC000186260321 265519861 /nfs/dbraw/zinc/51/98/61/265519861.db2.gz LYGXOWBYIGAILL-LBPRGKRZSA-N -1 3 326.352 3.383 20 5 EGBDHM CCCCOc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(C)c1 ZINC000193447120 266033269 /nfs/dbraw/zinc/03/32/69/266033269.db2.gz PSWVERROVNTVHC-UHFFFAOYSA-N -1 3 345.355 3.435 20 5 EGBDHM CC(C)c1[nH]nc(C(=O)[N-]c2nc3c(s2)CCCCC3)c1[N+](=O)[O-] ZINC000269412497 266290130 /nfs/dbraw/zinc/29/01/30/266290130.db2.gz VSUKABUYHILHBR-UHFFFAOYSA-N -1 3 349.416 3.419 20 5 EGBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCCc2cccc([O-])c21 ZINC000155638554 307817951 /nfs/dbraw/zinc/81/79/51/307817951.db2.gz WXWJNOMRPBSSOT-UHFFFAOYSA-N -1 3 346.770 3.476 20 5 EGBDHM Cc1ccc2c(Cn3cc([N+](=O)[O-])cc(Cl)c3=O)ccc([O-])c2n1 ZINC000427795037 309535985 /nfs/dbraw/zinc/53/59/85/309535985.db2.gz FGPLPEMNADTCGR-UHFFFAOYSA-N -1 3 345.742 3.020 20 5 EGBDHM CCc1ccccc1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000433246015 309683417 /nfs/dbraw/zinc/68/34/17/309683417.db2.gz YARRUSJXFXQKCB-UHFFFAOYSA-N -1 3 336.351 3.222 20 5 EGBDHM CC(C)c1ccc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)c([O-])c1 ZINC000436945392 309782424 /nfs/dbraw/zinc/78/24/24/309782424.db2.gz UCTITJZBIBEHQF-UHFFFAOYSA-N -1 3 340.339 3.460 20 5 EGBDHM Cc1[n-][nH]c(=NC(=O)c2ccc([N+](=O)[O-])cc2F)c1-c1ccccc1 ZINC000522168669 312579159 /nfs/dbraw/zinc/57/91/59/312579159.db2.gz HNUNNHCDJYELGY-UHFFFAOYSA-N -1 3 340.314 3.107 20 5 EGBDHM C[C@@H](CCC(C)(C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000522973663 312606435 /nfs/dbraw/zinc/60/64/35/312606435.db2.gz GNOFEFXQXDPEMV-JTQLQIEISA-N -1 3 332.397 3.227 20 5 EGBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000569347423 316901111 /nfs/dbraw/zinc/90/11/11/316901111.db2.gz BMQUGDNZLZEBOV-HNNXBMFYSA-N -1 3 348.399 3.069 20 5 EGBDHM Cc1cc(S(=O)(=O)[N-]c2ccsc2Cl)ccc1[N+](=O)[O-] ZINC000189733103 455236275 /nfs/dbraw/zinc/23/62/75/455236275.db2.gz IVUOZNRFFMCKTR-UHFFFAOYSA-N -1 3 332.790 3.419 20 5 EGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1 ZINC000006316252 452932974 /nfs/dbraw/zinc/93/29/74/452932974.db2.gz KIUSEHCHONNKER-UHFFFAOYSA-N -1 3 330.724 3.188 20 5 EGBDHM CCC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000021187686 453673544 /nfs/dbraw/zinc/67/35/44/453673544.db2.gz GXVADDGSVDQEMV-CQSZACIVSA-N -1 3 334.397 3.415 20 5 EGBDHM CSc1cccc(N(C)C(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000101870150 454487546 /nfs/dbraw/zinc/48/75/46/454487546.db2.gz BYLSVOCLJHDGLF-UHFFFAOYSA-N -1 3 342.380 3.470 20 5 EGBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCCc2sccc21 ZINC000161926518 454736940 /nfs/dbraw/zinc/73/69/40/454736940.db2.gz XFVHSZRFYADOFO-LLVKDONJSA-N -1 3 338.410 3.012 20 5 EGBDHM O=C(CCc1cccc([N+](=O)[O-])c1)N1CCCc2cccc([O-])c21 ZINC000182918787 455191299 /nfs/dbraw/zinc/19/12/99/455191299.db2.gz ALAVZPRJEWDVCB-UHFFFAOYSA-N -1 3 326.352 3.212 20 5 EGBDHM Cc1c(CC(=O)N2CCCc3cccc([O-])c32)cccc1[N+](=O)[O-] ZINC000182922834 455192040 /nfs/dbraw/zinc/19/20/40/455192040.db2.gz ZTQBYMPJLCBGMV-UHFFFAOYSA-N -1 3 326.352 3.131 20 5 EGBDHM CCc1ccc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc1[N+](=O)[O-] ZINC000160290528 455445255 /nfs/dbraw/zinc/44/52/55/455445255.db2.gz PVLLGAOQITYEAS-UHFFFAOYSA-N -1 3 341.327 3.096 20 5 EGBDHM CCc1ccc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc1[N+](=O)[O-] ZINC000160290528 455445258 /nfs/dbraw/zinc/44/52/58/455445258.db2.gz PVLLGAOQITYEAS-UHFFFAOYSA-N -1 3 341.327 3.096 20 5 EGBDHM CCc1ccc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1[N+](=O)[O-] ZINC000160290528 455445263 /nfs/dbraw/zinc/44/52/63/455445263.db2.gz PVLLGAOQITYEAS-UHFFFAOYSA-N -1 3 341.327 3.096 20 5 EGBDHM Cc1cc(=O)[n-]c([C@H](C)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000192628480 455657128 /nfs/dbraw/zinc/65/71/28/455657128.db2.gz VAGMOJFOKXSODT-JTQLQIEISA-N -1 3 336.779 3.245 20 5 EGBDHM C[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)c2c([O-])cccc21 ZINC000186265039 455728712 /nfs/dbraw/zinc/72/87/12/455728712.db2.gz WODQDPJIOFUYIT-LBPRGKRZSA-N -1 3 342.351 3.220 20 5 EGBDHM C[C@@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)c2c([O-])cccc21 ZINC000186267297 455729943 /nfs/dbraw/zinc/72/99/43/455729943.db2.gz QODWPTZXOXFXIV-GFCCVEGCSA-N -1 3 342.351 3.220 20 5 EGBDHM Cc1cccc(F)c1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000352869173 456377365 /nfs/dbraw/zinc/37/73/65/456377365.db2.gz KOIVJXAMHJTUPE-UHFFFAOYSA-N -1 3 338.360 3.027 20 5 EGBDHM CC(C)[C@@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000277504476 456846179 /nfs/dbraw/zinc/84/61/79/456846179.db2.gz XUJFLYPZWHPKSZ-CQSZACIVSA-N -1 3 349.412 3.165 20 5 EGBDHM COc1cc([O-])cc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c1 ZINC000352451538 457378695 /nfs/dbraw/zinc/37/86/95/457378695.db2.gz XAODDXGVAGORPK-UHFFFAOYSA-N -1 3 327.296 3.043 20 5 EGBDHM CCCCSCCC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000352674455 457519378 /nfs/dbraw/zinc/51/93/78/457519378.db2.gz DEHGCWTXXZZHOI-UHFFFAOYSA-N -1 3 348.428 3.269 20 5 EGBDHM CC(C)(C)[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc21 ZINC000444637389 457925786 /nfs/dbraw/zinc/92/57/86/457925786.db2.gz QLWDYPWQDNZJJB-CYBMUJFWSA-N -1 3 341.367 3.486 20 5 EGBDHM COc1c(C(=O)[N-]c2cc(F)c(F)cc2F)cccc1[N+](=O)[O-] ZINC000475646369 458956479 /nfs/dbraw/zinc/95/64/79/458956479.db2.gz PUHKTGWORRALKX-UHFFFAOYSA-N -1 3 326.230 3.273 20 5 EGBDHM COc1cccc(C=C2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)c1 ZINC000596161018 459543718 /nfs/dbraw/zinc/54/37/18/459543718.db2.gz RDKDURAAEMTXAP-UHFFFAOYSA-N -1 3 341.367 3.388 20 5 EGBDHM COc1ccc([C@H](C)Nc2cc[n-]c(=O)c2[N+](=O)[O-])c(C)c1OC ZINC000596236460 459569930 /nfs/dbraw/zinc/56/99/30/459569930.db2.gz WJOBRCIBHHSQID-JTQLQIEISA-N -1 3 333.344 3.194 20 5 EGBDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000609076259 459902725 /nfs/dbraw/zinc/90/27/25/459902725.db2.gz PEOOYTZXEMFMTL-CYBMUJFWSA-N -1 3 348.424 3.239 20 5 EGBDHM CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000603660705 460331998 /nfs/dbraw/zinc/33/19/98/460331998.db2.gz JKKMKIAIMFYQIE-STQMWFEESA-N -1 3 326.418 3.150 20 5 EGBDHM CC(C)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000735750121 575710084 /nfs/dbraw/zinc/71/00/84/575710084.db2.gz PSWTUQZWJDIPQV-LBPRGKRZSA-N -1 3 330.392 3.037 20 5 EGBDHM CC(C)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000735750121 575710086 /nfs/dbraw/zinc/71/00/86/575710086.db2.gz PSWTUQZWJDIPQV-LBPRGKRZSA-N -1 3 330.392 3.037 20 5 EGBDHM C[C@H](Sc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1cccs1 ZINC000736190962 575910369 /nfs/dbraw/zinc/91/03/69/575910369.db2.gz GEHBMLPVXLMYOI-ZETCQYMHSA-N -1 3 334.386 3.085 20 5 EGBDHM O=[N+]([O-])c1ccc(Cl)c(CNc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000823639688 606801578 /nfs/dbraw/zinc/80/15/78/606801578.db2.gz FSLGOHAFEWUHDL-UHFFFAOYSA-N -1 3 348.725 3.180 20 5 EGBDHM O=[N+]([O-])c1ccc(Cl)c(CNc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000823639688 606801579 /nfs/dbraw/zinc/80/15/79/606801579.db2.gz FSLGOHAFEWUHDL-UHFFFAOYSA-N -1 3 348.725 3.180 20 5 EGBDHM O=[N+]([O-])c1cc(Cl)ccc1COc1ccc(-c2nnn[n-]2)cc1F ZINC000823635521 607138766 /nfs/dbraw/zinc/13/87/66/607138766.db2.gz ZZGZTVIFOBWIJE-UHFFFAOYSA-N -1 3 349.709 3.146 20 5 EGBDHM O=[N+]([O-])c1cc(Cl)ccc1COc1ccc(-c2nn[n-]n2)cc1F ZINC000823635521 607138768 /nfs/dbraw/zinc/13/87/68/607138768.db2.gz ZZGZTVIFOBWIJE-UHFFFAOYSA-N -1 3 349.709 3.146 20 5 EGBDHM CC(C)([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000119790903 1293288858 /nfs/dbraw/zinc/28/88/58/1293288858.db2.gz SQGJQKKOLJMFTC-UHFFFAOYSA-N -1 3 344.389 3.009 20 5 EGBDHM Cc1cc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc([N+](=O)[O-])c1F ZINC000154236379 1294047740 /nfs/dbraw/zinc/04/77/40/1294047740.db2.gz JINPFYOFISUXSD-UHFFFAOYSA-N -1 3 346.286 3.121 20 5 EGBDHM COc1ccc(OC(=O)c2cc(-c3ccc(C)o3)[n-]n2)c([N+](=O)[O-])c1 ZINC000193587663 1295889404 /nfs/dbraw/zinc/88/94/04/1295889404.db2.gz HLXZTAWAMREUHV-UHFFFAOYSA-N -1 3 343.295 3.114 20 5 EGBDHM COc1ccc(OC(=O)c2cc(-c3ccc(C)o3)n[n-]2)c([N+](=O)[O-])c1 ZINC000193587663 1295889414 /nfs/dbraw/zinc/88/94/14/1295889414.db2.gz HLXZTAWAMREUHV-UHFFFAOYSA-N -1 3 343.295 3.114 20 5 EGBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1scnc1Cl ZINC000798542270 1310386489 /nfs/dbraw/zinc/38/64/89/1310386489.db2.gz MYWQQLYBAKGHQV-UHFFFAOYSA-N -1 3 327.749 3.356 20 5 EGBDHM O=C([N-]c1nnc(C2CC2)s1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900266617 1317262379 /nfs/dbraw/zinc/26/23/79/1317262379.db2.gz XKPRHPWYNQNKCW-UHFFFAOYSA-N -1 3 342.739 3.369 20 5 EGBDHM CCCc1nnc([N-]C(=O)c2cccc([N+](=O)[O-])c2Cl)s1 ZINC000858691298 1328832043 /nfs/dbraw/zinc/83/20/43/1328832043.db2.gz FKXPHZBXJKVIMM-UHFFFAOYSA-N -1 3 326.765 3.305 20 5 EGBDHM O=c1[n-]ccc(N2CCC[C@@H]2COc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000853153572 1325055448 /nfs/dbraw/zinc/05/54/48/1325055448.db2.gz WURGKOUALXUPJN-GFCCVEGCSA-N -1 3 349.774 3.397 20 5 EGBDHM CC(C)(C)c1cc2ncc(Nc3cc([O-])cc([N+](=O)[O-])c3)cn2n1 ZINC001199828441 1369278361 /nfs/dbraw/zinc/27/83/61/1369278361.db2.gz HWKBWTTYHZHFPC-UHFFFAOYSA-N -1 3 327.344 3.384 20 5 EGBDHM CN(c1cc([O-])cc([N+](=O)[O-])c1)c1c(N)cccc1Br ZINC001201223556 1369498775 /nfs/dbraw/zinc/49/87/75/1369498775.db2.gz ANCZNYFUSUHYQA-UHFFFAOYSA-N -1 3 338.161 3.413 20 5 EGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(N3CCOCC3)c(F)c2)c1 ZINC001201222047 1369498834 /nfs/dbraw/zinc/49/88/34/1369498834.db2.gz JOEWWFZFTURWKX-UHFFFAOYSA-N -1 3 333.319 3.020 20 5 EGBDHM COC(=O)C[C@H]1CCC[C@@H](Oc2nc3cc([N+](=O)[O-])c(C)cc3[n-]2)C1 ZINC001228674721 1375636735 /nfs/dbraw/zinc/63/67/35/1375636735.db2.gz LSFHZSQZNUSTPG-NWDGAFQWSA-N -1 3 347.371 3.280 20 5 EGBDHM CCOC(=O)[C@@H](CC(C)C)Oc1nc2cc(C)c([N+](=O)[O-])cc2[n-]1 ZINC001228675982 1375637590 /nfs/dbraw/zinc/63/75/90/1375637590.db2.gz TVEPCOXKRICSRG-CQSZACIVSA-N -1 3 335.360 3.136 20 5 EGBDHM CCOC(=O)[C@@H](CC(C)C)Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228675982 1375637593 /nfs/dbraw/zinc/63/75/93/1375637593.db2.gz TVEPCOXKRICSRG-CQSZACIVSA-N -1 3 335.360 3.136 20 5 EGBDHM CCOC(=O)C[C@@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])c1ccccc1 ZINC001228686758 1375640592 /nfs/dbraw/zinc/64/05/92/1375640592.db2.gz QTSLPSADQFVGKS-CYBMUJFWSA-N -1 3 346.339 3.077 20 5 EGBDHM O=[N+]([O-])c1ccc(N2CCC(Oc3cccc([O-])c3F)CC2)cc1 ZINC001233867143 1376728124 /nfs/dbraw/zinc/72/81/24/1376728124.db2.gz CFZUWCKKAXCNCC-UHFFFAOYSA-N -1 3 332.331 3.487 20 5 EGBDHM CC(C)(C)c1ccc(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])o1 ZINC001573882148 950771862 /nfs/dbraw/zinc/77/18/62/950771862.db2.gz UWGXWQWZJBOIOW-UHFFFAOYSA-N -1 3 342.359 3.278 20 5 EGBDHM CC(C)(C)c1ccc(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])o1 ZINC001573882148 950771872 /nfs/dbraw/zinc/77/18/72/950771872.db2.gz UWGXWQWZJBOIOW-UHFFFAOYSA-N -1 3 342.359 3.278 20 5 EGBDHM O=C([O-])CC1(NCc2c(F)cc([N+](=O)[O-])cc2F)CCCCC1 ZINC001594983105 950986976 /nfs/dbraw/zinc/98/69/76/950986976.db2.gz HLTWGQMCANQBFO-UHFFFAOYSA-N -1 3 328.315 3.140 20 5 EGBDHM O=C(Nc1ccc2ncccc2c1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000072010320 284343492 /nfs/dbraw/zinc/34/34/92/284343492.db2.gz JVPNFVBEOWAYSE-UHFFFAOYSA-N -1 3 333.307 3.272 20 5 EGBDHM O=C([N-]c1nc2c(s1)COCC2)c1c(Cl)cccc1[N+](=O)[O-] ZINC000171863867 144012269 /nfs/dbraw/zinc/01/22/69/144012269.db2.gz IRQYPOCMJMOWBB-UHFFFAOYSA-N -1 3 339.760 3.030 20 5 EGBDHM O=C(Nc1ccc(-c2nccs2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000344900628 144240267 /nfs/dbraw/zinc/24/02/67/144240267.db2.gz OYCCUGWUYWBTBJ-UHFFFAOYSA-N -1 3 342.336 3.071 20 5 EGBDHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1cccs1 ZINC000123264197 162254038 /nfs/dbraw/zinc/25/40/38/162254038.db2.gz NZWJAIQKSDRDCX-VIFPVBQESA-N -1 3 346.455 3.456 20 5 EGBDHM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1ncsc1Br ZINC000344157976 164116058 /nfs/dbraw/zinc/11/60/58/164116058.db2.gz COIVHRXRXLPWAU-UHFFFAOYSA-N -1 3 346.137 3.205 20 5 EGBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1cc2ccccc2[nH]1 ZINC000356044782 166384056 /nfs/dbraw/zinc/38/40/56/166384056.db2.gz UWJYLWVTELOOAX-UHFFFAOYSA-N -1 3 347.334 3.140 20 5 EGBDHM O=C(Nc1ccc(CC(F)(F)F)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000175578032 265122204 /nfs/dbraw/zinc/12/22/04/265122204.db2.gz RPVWACPXIPPLSY-UHFFFAOYSA-N -1 3 341.245 3.053 20 5 EGBDHM O=C(Nc1ccc(CC(F)(F)F)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193620214 266047950 /nfs/dbraw/zinc/04/79/50/266047950.db2.gz DWNXAYVPEMFHPI-UHFFFAOYSA-N -1 3 341.245 3.053 20 5 EGBDHM CCCOc1cc(NC([O-])=NOCC)c([N+](=O)[O-])cc1OCCC ZINC000273777697 267106185 /nfs/dbraw/zinc/10/61/85/267106185.db2.gz WQPWYQXSUALQCX-UHFFFAOYSA-N -1 3 341.364 3.245 20 5 EGBDHM CCCOc1cc(NC(=O)[N-]OCC)c([N+](=O)[O-])cc1OCCC ZINC000273777697 267106187 /nfs/dbraw/zinc/10/61/87/267106187.db2.gz WQPWYQXSUALQCX-UHFFFAOYSA-N -1 3 341.364 3.245 20 5 EGBDHM O=C([N-]O[C@H]1CCCCO1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291459712 276646726 /nfs/dbraw/zinc/64/67/26/276646726.db2.gz HZSHJPULNITHBG-JTQLQIEISA-N -1 3 335.143 3.090 20 5 EGBDHM COc1ccc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)cc1[N+](=O)[O-] ZINC000186275540 277873232 /nfs/dbraw/zinc/87/32/32/277873232.db2.gz BKNVUPSMMBFOFY-LLVKDONJSA-N -1 3 342.351 3.463 20 5 EGBDHM O=C([N-]c1nnc(/C=C\c2ccco2)s1)c1ccccc1[N+](=O)[O-] ZINC000255674944 308057299 /nfs/dbraw/zinc/05/72/99/308057299.db2.gz RUDFIUKXFBHJTH-FPLPWBNLSA-N -1 3 342.336 3.462 20 5 EGBDHM COc1cc(CNc2ccc([C@@H]3CCOC3)cc2)c([N+](=O)[O-])cc1[O-] ZINC000292960823 308084508 /nfs/dbraw/zinc/08/45/08/308084508.db2.gz JLXRLIYQHORERR-CYBMUJFWSA-N -1 3 344.367 3.425 20 5 EGBDHM CCC(C)(C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416357957 309169867 /nfs/dbraw/zinc/16/98/67/309169867.db2.gz FMWDTSTYBLFEOX-UHFFFAOYSA-N -1 3 340.323 3.081 20 5 EGBDHM Cc1cscc1C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000487365232 311021380 /nfs/dbraw/zinc/02/13/80/311021380.db2.gz MDPBSNJQQSCEQA-UHFFFAOYSA-N -1 3 340.426 3.060 20 5 EGBDHM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000500109645 311918655 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337.376 3.008 20 5 EGBDHM COc1ccccc1[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])OC(C)C ZINC000596194101 459556431 /nfs/dbraw/zinc/55/64/31/459556431.db2.gz IWTNUUUTRJHVEZ-OAHLLOKOSA-N -1 3 347.371 3.282 20 5 EGBDHM Cc1ccc([N+](=O)[O-])c(C)c1[N-]C(=O)c1nc2cccnc2s1 ZINC000572921589 459594563 /nfs/dbraw/zinc/59/45/63/459594563.db2.gz QPSYUKLUAQBLBJ-UHFFFAOYSA-N -1 3 328.353 3.469 20 5 EGBDHM Cc1cc(NC[C@H]2N(C)CCCC2(C)C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000563213390 459740450 /nfs/dbraw/zinc/74/04/50/459740450.db2.gz VYNNYQUYWGWQKA-OAHLLOKOSA-N -1 3 335.404 3.134 20 5 EGBDHM CCC[C@]1(COC)CCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593743882 459971514 /nfs/dbraw/zinc/97/15/14/459971514.db2.gz NFOMGGJDYBSNNI-QGZVFWFLSA-N -1 3 336.388 3.074 20 5 EGBDHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000604040445 460371752 /nfs/dbraw/zinc/37/17/52/460371752.db2.gz MPDKVPIJAARDMR-ZDUSSCGKSA-N -1 3 334.397 3.251 20 5 EGBDHM COc1ccc([N-]C(=O)c2csc([C@@H]3CCCO3)n2)c([N+](=O)[O-])c1 ZINC000165074089 534176710 /nfs/dbraw/zinc/17/67/10/534176710.db2.gz MUGKXXFCOHTSCN-ZDUSSCGKSA-N -1 3 349.368 3.164 20 5 EGBDHM CCCCc1nnc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])s1 ZINC000181544269 529052711 /nfs/dbraw/zinc/05/27/11/529052711.db2.gz XIKSQIRKJWVHGC-UHFFFAOYSA-N -1 3 338.389 3.115 20 5 EGBDHM O=[N+]([O-])c1cc(-c2nc(-c3ccc([O-])cc3)no2)ccc1-n1ccnc1 ZINC000731790047 575207834 /nfs/dbraw/zinc/20/78/34/575207834.db2.gz JMMHEWKMMKIKIK-UHFFFAOYSA-N -1 3 349.306 3.203 20 5 EGBDHM Cc1cc(-c2nnn[n-]2)ccc1OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000737222395 576137691 /nfs/dbraw/zinc/13/76/91/576137691.db2.gz XPXQCPQXVPHKPY-UHFFFAOYSA-N -1 3 345.746 3.316 20 5 EGBDHM Cc1cc(-c2nn[n-]n2)ccc1OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000737222395 576137693 /nfs/dbraw/zinc/13/76/93/576137693.db2.gz XPXQCPQXVPHKPY-UHFFFAOYSA-N -1 3 345.746 3.316 20 5 EGBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1coc2ccccc12 ZINC000738359531 576317515 /nfs/dbraw/zinc/31/75/15/576317515.db2.gz SSAVVSCTSNGGET-UHFFFAOYSA-N -1 3 336.311 3.133 20 5 EGBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1coc2ccccc12 ZINC000738359531 576317516 /nfs/dbraw/zinc/31/75/16/576317516.db2.gz SSAVVSCTSNGGET-UHFFFAOYSA-N -1 3 336.311 3.133 20 5 EGBDHM O=[N+]([O-])c1ccc(N[C@@H]2CC[C@H]3CCC[C@H]3C2)c(-c2nnn[n-]2)c1 ZINC000823640074 599056584 /nfs/dbraw/zinc/05/65/84/599056584.db2.gz RCQWFTGZBRMMHN-GRYCIOLGSA-N -1 3 328.376 3.156 20 5 EGBDHM O=[N+]([O-])c1ccc(N[C@@H]2CC[C@H]3CCC[C@H]3C2)c(-c2nn[n-]n2)c1 ZINC000823640074 599056587 /nfs/dbraw/zinc/05/65/87/599056587.db2.gz RCQWFTGZBRMMHN-GRYCIOLGSA-N -1 3 328.376 3.156 20 5 EGBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000820456289 607344293 /nfs/dbraw/zinc/34/42/93/607344293.db2.gz RMAUXLJEWRBXHJ-MRVPVSSYSA-N -1 3 346.297 3.226 20 5 EGBDHM CC(C)c1ccc(CN2CCC3(C[C@H]3C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000833510000 604649269 /nfs/dbraw/zinc/64/92/69/604649269.db2.gz HLNXMOYXHWTHAS-HNNXBMFYSA-N -1 3 332.400 3.405 20 5 EGBDHM CC(C)(C)[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000756353388 605749483 /nfs/dbraw/zinc/74/94/83/605749483.db2.gz BCAKAAWPJRXXSP-ZDUSSCGKSA-N -1 3 349.412 3.307 20 5 EGBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000769245030 1303080717 /nfs/dbraw/zinc/08/07/17/1303080717.db2.gz PWCNECTXVCNTLV-OALUTQOASA-N -1 3 342.395 3.389 20 5 EGBDHM CCOc1ccc(NCc2ccc([O-])c(OC)c2[N+](=O)[O-])cc1F ZINC000892272395 1305301496 /nfs/dbraw/zinc/30/14/96/1305301496.db2.gz HVQIITWXTDSIEG-UHFFFAOYSA-N -1 3 336.319 3.459 20 5 EGBDHM COc1c([O-])ccc(CNc2cccc(N(C)C)c2C)c1[N+](=O)[O-] ZINC000892402480 1305354057 /nfs/dbraw/zinc/35/40/57/1305354057.db2.gz AADPIIRJMXNYGB-UHFFFAOYSA-N -1 3 331.372 3.296 20 5 EGBDHM CCc1cccc(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)c1 ZINC000800052504 1310665167 /nfs/dbraw/zinc/66/51/67/1310665167.db2.gz ZQGGTMINXCKFEJ-UHFFFAOYSA-N -1 3 338.360 3.406 20 5 EGBDHM C[C@H]1Oc2ccccc2[C@@H]1[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000809337358 1317799548 /nfs/dbraw/zinc/79/95/48/1317799548.db2.gz BGFBEPUTRNQCOS-MEBBXXQBSA-N -1 3 348.305 3.325 20 5 EGBDHM O=[N+]([O-])c1ccc(NCc2nc(C(F)(F)F)n[n-]2)c(C(F)F)c1 ZINC000865685146 1329729083 /nfs/dbraw/zinc/72/90/83/1329729083.db2.gz TXYFXMXTYUJFQH-UHFFFAOYSA-N -1 3 337.208 3.281 20 5 EGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccnc(F)c2Br)c1 ZINC001199818899 1369277042 /nfs/dbraw/zinc/27/70/42/1369277042.db2.gz GJLAYDPXUUFYNE-UHFFFAOYSA-N -1 3 328.097 3.341 20 5 EGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cnc3cc(C(F)(F)F)nn3c2)c1 ZINC001199819280 1369276795 /nfs/dbraw/zinc/27/67/95/1369276795.db2.gz NSRONMUYRKOLGR-UHFFFAOYSA-N -1 3 339.233 3.106 20 5 EGBDHM CCOC(=O)c1ncc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1Cl ZINC001199819541 1369277030 /nfs/dbraw/zinc/27/70/30/1369277030.db2.gz XIFNUZJJJLBWPG-UHFFFAOYSA-N -1 3 337.719 3.269 20 5 EGBDHM COc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)ncc1C(F)(F)F ZINC001199828320 1369277915 /nfs/dbraw/zinc/27/79/15/1369277915.db2.gz GJRKQCOJSPFYPJ-UHFFFAOYSA-N -1 3 329.234 3.466 20 5 EGBDHM CC(C)CNC(=O)c1cccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201223717 1369498427 /nfs/dbraw/zinc/49/84/27/1369498427.db2.gz FKGAXDGYUMZHQY-UHFFFAOYSA-N -1 3 329.356 3.430 20 5 EGBDHM CC(=O)N1CC2(CC2)c2ccc(Nc3cc([O-])cc([N+](=O)[O-])c3)cc21 ZINC001201222589 1369498836 /nfs/dbraw/zinc/49/88/36/1369498836.db2.gz PJHOBIINPKIOSD-UHFFFAOYSA-N -1 3 339.351 3.442 20 5 EGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2c(F)cccc2N2CCOCC2)c1 ZINC001201229107 1369500042 /nfs/dbraw/zinc/50/00/42/1369500042.db2.gz CMOMOPJXNCZYGJ-UHFFFAOYSA-N -1 3 333.319 3.020 20 5 EGBDHM COc1cc(-c2noc(-c3c[n-]c(=O)c([N+](=O)[O-])c3)n2)ccc1Cl ZINC001212843806 1372783650 /nfs/dbraw/zinc/78/36/50/1372783650.db2.gz CTVMGCWUNXFVSR-UHFFFAOYSA-N -1 3 348.702 3.074 20 5 EGBDHM O=[N+]([O-])c1cc(F)cnc1-c1noc(-c2cc([O-])cc3[nH]ccc32)n1 ZINC001217603739 1373472031 /nfs/dbraw/zinc/47/20/31/1373472031.db2.gz FNCYOTVHRUMMBZ-UHFFFAOYSA-N -1 3 341.258 3.033 20 5 EGBDHM COc1ccc([C@H](C)Oc2nc3cc([N+](=O)[O-])c(C)cc3[n-]2)cn1 ZINC001228673535 1375637501 /nfs/dbraw/zinc/63/75/01/1375637501.db2.gz HCORMVUEHUHURY-JTQLQIEISA-N -1 3 328.328 3.323 20 5 EGBDHM Cc1cc([O-])c(O[C@@H]2CCN([C@@H](C)c3ccccn3)C2)cc1[N+](=O)[O-] ZINC001229755731 1375887638 /nfs/dbraw/zinc/88/76/38/1375887638.db2.gz ZQHVSFALFHDCOT-UONOGXRCSA-N -1 3 343.383 3.218 20 5 EGBDHM COc1ccc([N+](=O)[O-])c([N-][C@@H](c2cccnc2)C(F)(F)F)n1 ZINC001164174453 1383162825 /nfs/dbraw/zinc/16/28/25/1383162825.db2.gz SPMPFWPUQPRRJM-NSHDSACASA-N -1 3 328.250 3.109 20 5 EGBDHM C[C@H](N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000820413523 1446439821 /nfs/dbraw/zinc/43/98/21/1446439821.db2.gz RJTFCSZGUVMJIZ-RYUDHWBXSA-N -1 3 338.371 3.187 20 5 EGBDHM C[C@H](N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000820413523 1446439822 /nfs/dbraw/zinc/43/98/22/1446439822.db2.gz RJTFCSZGUVMJIZ-RYUDHWBXSA-N -1 3 338.371 3.187 20 5 EGBDHM CCCC[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000262710569 961819419 /nfs/dbraw/zinc/81/94/19/961819419.db2.gz PECXRHJMBCRQDK-AWEZNQCLSA-N -1 3 349.412 3.451 20 5 EGBDHM