smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc2c(CCNC(=O)c3cc(O)ccc3[N+](=O)[O-])c[nH]c2c1 ZINC000351806134 144308703 /nfs/dbraw/zinc/30/87/03/144308703.db2.gz DJNCFDMPRHDGRH-UHFFFAOYSA-N 0 2 339.351 3.063 10 5 EGBELN C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000341222753 155212575 /nfs/dbraw/zinc/21/25/75/155212575.db2.gz WNZLQYAGKIZMQQ-SECBINFHSA-N 0 2 336.294 3.412 10 5 EGBELN O=C(NCC1(c2ccc(F)cc2F)CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000346851825 156165045 /nfs/dbraw/zinc/16/50/45/156165045.db2.gz RCVCGIHQYRSVEH-UHFFFAOYSA-N 0 2 348.305 3.040 10 5 EGBELN CCSc1cccc(F)c1NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000362186627 157063198 /nfs/dbraw/zinc/06/31/98/157063198.db2.gz ZMPYXHLWTINNEO-UHFFFAOYSA-N 0 2 338.364 3.315 10 5 EGBELN O=C(Nc1cccc(COCC2CC2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000346329674 164369596 /nfs/dbraw/zinc/36/95/96/164369596.db2.gz KTUJVRDPDDSCIO-UHFFFAOYSA-N 0 2 342.351 3.479 10 5 EGBELN CC[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000346363870 164375038 /nfs/dbraw/zinc/37/50/38/164375038.db2.gz FGCDUEGIWIYBTF-AWEZNQCLSA-N 0 2 336.294 3.460 10 5 EGBELN O=C(N[C@@H]1CC[C@H](Cc2ccccc2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000354996529 166082038 /nfs/dbraw/zinc/08/20/38/166082038.db2.gz FVKGWVNCFFGIPC-HUUCEWRRSA-N 0 2 340.379 3.442 10 5 EGBELN CC(=O)Nc1cc(Cl)ccc1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000355572705 166247655 /nfs/dbraw/zinc/24/76/55/166247655.db2.gz XYPRUZNLODVWAZ-UHFFFAOYSA-N 0 2 349.730 3.165 10 5 EGBELN O=[N+]([O-])c1ccc(NS(=O)(=O)c2c(F)cccc2Cl)cc1 ZINC000153546343 307775510 /nfs/dbraw/zinc/77/55/10/307775510.db2.gz NXDMCGPLGOTRKD-UHFFFAOYSA-N 0 2 330.724 3.188 10 5 EGBELN CC(C)C1(c2ccccc2)CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000412797861 309003280 /nfs/dbraw/zinc/00/32/80/309003280.db2.gz UTEODTVEYVKWNA-UHFFFAOYSA-N 0 2 340.379 3.350 10 5 EGBELN CC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1Cl ZINC000182802637 323576181 /nfs/dbraw/zinc/57/61/81/323576181.db2.gz UUMPCRVWFWKDSY-UHFFFAOYSA-N 0 2 334.715 3.409 10 5 EGBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000183907262 323634063 /nfs/dbraw/zinc/63/40/63/323634063.db2.gz LMEPSOZHRZSUPF-NXEZZACHSA-N 0 2 334.278 3.321 10 5 EGBELN CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183919937 455339530 /nfs/dbraw/zinc/33/95/30/455339530.db2.gz DFODDOUVSQQKMB-CQSZACIVSA-N 0 2 334.303 3.236 10 5 EGBELN CC(C)(NC(=O)c1c(O)cc(F)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000092424067 454564862 /nfs/dbraw/zinc/56/48/62/454564862.db2.gz JHVROMCDKCAQDK-UHFFFAOYSA-N 0 2 336.294 3.244 10 5 EGBELN COc1cccc(Cl)c1CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166125513 454908541 /nfs/dbraw/zinc/90/85/41/454908541.db2.gz PTKUZIKPQBWRRZ-UHFFFAOYSA-N 0 2 336.731 3.144 10 5 EGBELN COc1ccccc1[C@@H](C)CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000155956110 455066380 /nfs/dbraw/zinc/06/63/80/455066380.db2.gz KZJKOHGOMAFNLU-NSHDSACASA-N 0 2 330.340 3.441 10 5 EGBELN O=C(Cc1coc(-c2cccs2)n1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000155964429 455067181 /nfs/dbraw/zinc/06/71/81/455067181.db2.gz BSZHTMSKMKDGPV-UHFFFAOYSA-N 0 2 345.336 3.198 10 5 EGBELN C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183895529 455336350 /nfs/dbraw/zinc/33/63/50/455336350.db2.gz LBVAKWNOQYFRFD-VIFPVBQESA-N 0 2 336.731 3.360 10 5 EGBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1c[nH]nc1-c1ccc(F)cc1 ZINC000182089902 455432709 /nfs/dbraw/zinc/43/27/09/455432709.db2.gz MJLFHUAUPRKZEQ-UHFFFAOYSA-N 0 2 342.286 3.082 10 5 EGBELN CC(C)c1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000194398222 455837138 /nfs/dbraw/zinc/83/71/38/455837138.db2.gz PASAXYHFZUJHQO-UHFFFAOYSA-N 0 2 333.416 3.037 10 5 EGBELN CCC(CC)c1cc(CNC(=O)c2cccc(O)c2[N+](=O)[O-])on1 ZINC000280793645 456054021 /nfs/dbraw/zinc/05/40/21/456054021.db2.gz OOZCPGOQSLDXMS-UHFFFAOYSA-N 0 2 333.344 3.122 10 5 EGBELN CC1(C)Oc2ccc(NC(=O)c3cccc(O)c3[N+](=O)[O-])cc2O1 ZINC000343069549 456384880 /nfs/dbraw/zinc/38/48/80/456384880.db2.gz BYFMNLNVSPLTOY-UHFFFAOYSA-N 0 2 330.296 3.060 10 5 EGBELN COc1ccc2cc(NC(=O)c3cccc(O)c3[N+](=O)[O-])ccc2n1 ZINC000343271439 456498668 /nfs/dbraw/zinc/49/86/68/456498668.db2.gz HSDBEMHDVZBAJK-UHFFFAOYSA-N 0 2 339.307 3.110 10 5 EGBELN Cc1ccc(C[C@H]2CCCN2C(=O)c2cccc(O)c2[N+](=O)[O-])cc1 ZINC000343444799 456626617 /nfs/dbraw/zinc/62/66/17/456626617.db2.gz IQXXGGPTAOVFBM-OAHLLOKOSA-N 0 2 340.379 3.456 10 5 EGBELN CCO[C@@H](CCNC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CCCC1 ZINC000353646337 456826640 /nfs/dbraw/zinc/82/66/40/456826640.db2.gz CYMRBVSNBLSYKJ-INIZCTEOSA-N 0 2 336.388 3.016 10 5 EGBELN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354704067 457313666 /nfs/dbraw/zinc/31/36/66/457313666.db2.gz VWJTYZVGSSRQRN-SNVBAGLBSA-N 0 2 346.387 3.051 10 5 EGBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCc2cc(Cl)ccc2C1 ZINC000355201204 457346784 /nfs/dbraw/zinc/34/67/84/457346784.db2.gz RPWYYYFIAOPNBF-UHFFFAOYSA-N 0 2 332.743 3.152 10 5 EGBELN CC1=C(c2ccco2)CN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000374566808 457662606 /nfs/dbraw/zinc/66/26/06/457662606.db2.gz TUNRORJVNHWFLL-UHFFFAOYSA-N 0 2 328.324 3.213 10 5 EGBELN CCCOc1nc(C)ccc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000358633613 458120316 /nfs/dbraw/zinc/12/03/16/458120316.db2.gz JXRIDOCLIZUGFX-UHFFFAOYSA-N 0 2 331.328 3.045 10 5 EGBELN O=C(NCc1ccc(-c2cccnc2)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436872460 458397142 /nfs/dbraw/zinc/39/71/42/458397142.db2.gz MYMBVJMNSRWZBK-UHFFFAOYSA-N 0 2 349.346 3.292 10 5 EGBELN C[C@@H](c1c(F)cccc1F)N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436945954 458411314 /nfs/dbraw/zinc/41/13/14/458411314.db2.gz HPLDFJZFFSTXCA-VIFPVBQESA-N 0 2 336.294 3.412 10 5 EGBELN C[C@@H](c1c(F)cccc1F)N(C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436954268 458412414 /nfs/dbraw/zinc/41/24/14/458412414.db2.gz FZWCMHOAJNZZCN-VIFPVBQESA-N 0 2 336.294 3.412 10 5 EGBELN CC(C)c1n[nH]c(=NCCc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000477082700 459030016 /nfs/dbraw/zinc/03/00/16/459030016.db2.gz JIYMPBLTKAEOIC-UHFFFAOYSA-N 0 2 326.809 3.300 10 5 EGBELN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CCc2ccccc21 ZINC000593854929 460004458 /nfs/dbraw/zinc/00/44/58/460004458.db2.gz MWZLMRMXPXYVRY-LBPRGKRZSA-N 0 2 326.352 3.102 10 5 EGBELN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)CCc2ccc(F)cc21 ZINC000593887596 460011720 /nfs/dbraw/zinc/01/17/20/460011720.db2.gz WPWTYULQGMTAIP-NSHDSACASA-N 0 2 344.342 3.242 10 5 EGBELN CCC(C)(C)[C@@H]1CCc2nc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])sc2C1 ZINC001128761050 1373309139 /nfs/dbraw/zinc/30/91/39/1373309139.db2.gz AQXQXEZEQADDTI-CKYFFXLPSA-N 0 2 337.445 3.288 10 5 EGBELN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C)c(C)c1 ZINC000021631740 212234686 /nfs/dbraw/zinc/23/46/86/212234686.db2.gz CEVAYDSDPULCCI-UHFFFAOYSA-N 0 2 336.369 3.021 10 5 EGBELN O=[N+]([O-])c1ccc(Cl)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000037975701 304802499 /nfs/dbraw/zinc/80/24/99/304802499.db2.gz HEMCLRKNQIGXFB-UHFFFAOYSA-N 0 2 330.724 3.188 10 5 EGBELN CCCn1c2ccccc2nc1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000351835688 144313756 /nfs/dbraw/zinc/31/37/56/144313756.db2.gz OMUMRWGVRMETQX-UHFFFAOYSA-N 0 2 340.339 3.312 10 5 EGBELN CCO[C@@H]1C[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C12CCCCC2 ZINC000377103434 286275304 /nfs/dbraw/zinc/27/53/04/286275304.db2.gz MXEIKWAVOPOTLG-HZPDHXFCSA-N 0 2 348.399 3.158 10 5 EGBELN O=C(Nc1cccc(OC(F)(F)F)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000326903933 163084578 /nfs/dbraw/zinc/08/45/78/163084578.db2.gz LELJWNRGLFVNNX-UHFFFAOYSA-N 0 2 342.229 3.451 10 5 EGBELN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc3cc[nH]c3c2)c1C ZINC000193482008 266037254 /nfs/dbraw/zinc/03/72/54/266037254.db2.gz GEDOQDJJFYKESD-UHFFFAOYSA-N 0 2 345.380 3.494 10 5 EGBELN Cc1nn(-c2ccccc2)cc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000155993093 307825029 /nfs/dbraw/zinc/82/50/29/307825029.db2.gz FLFNBKSGJJIQPO-UHFFFAOYSA-N 0 2 338.323 3.047 10 5 EGBELN O=C(N[C@@H](c1ccco1)c1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000436798599 309774640 /nfs/dbraw/zinc/77/46/40/309774640.db2.gz ULOLGMUTYWRBGK-QGZVFWFLSA-N 0 2 338.319 3.413 10 5 EGBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1SCCc2sccc21 ZINC000183913249 323634240 /nfs/dbraw/zinc/63/42/40/323634240.db2.gz GHZKWNZLAIGHJT-CYBMUJFWSA-N 0 2 336.394 3.331 10 5 EGBELN O=C(NCCCn1ccc2ccccc21)c1cc(O)ccc1[N+](=O)[O-] ZINC000349428121 324025390 /nfs/dbraw/zinc/02/53/90/324025390.db2.gz CAKNRFYFVWBKPG-UHFFFAOYSA-N 0 2 339.351 3.075 10 5 EGBELN CCOC(=O)NC(=S)Nc1ccc(C(C)(C)C)cc1[N+](=O)[O-] ZINC000004348005 452799284 /nfs/dbraw/zinc/79/92/84/452799284.db2.gz SWRCXVVWHSWYBN-UHFFFAOYSA-N 0 2 325.390 3.335 10 5 EGBELN Cc1nc(C)c(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)s1 ZINC000088545662 454111620 /nfs/dbraw/zinc/11/16/20/454111620.db2.gz JYDNNCULVFFRRE-UHFFFAOYSA-N 0 2 341.414 3.086 10 5 EGBELN CO[C@H](C)c1nc(C)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)s1 ZINC000092546214 454584398 /nfs/dbraw/zinc/58/43/98/454584398.db2.gz PMRIJFSIGYMLHU-MRVPVSSYSA-N 0 2 337.357 3.025 10 5 EGBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1sccc1-n1cccc1 ZINC000166091835 454907054 /nfs/dbraw/zinc/90/70/54/454907054.db2.gz CVZQQQMFVBLFIM-UHFFFAOYSA-N 0 2 329.337 3.405 10 5 EGBELN CC[C@H](C)Oc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)ccn1 ZINC000166110709 454907739 /nfs/dbraw/zinc/90/77/39/454907739.db2.gz NGENJMKRDNJXOR-JTQLQIEISA-N 0 2 331.328 3.125 10 5 EGBELN CCC(CC)n1nc(C)cc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166189788 454908211 /nfs/dbraw/zinc/90/82/11/454908211.db2.gz YMWYMDWEOPFDAY-UHFFFAOYSA-N 0 2 332.360 3.419 10 5 EGBELN Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000178336238 454949701 /nfs/dbraw/zinc/94/97/01/454949701.db2.gz VPCPXZGRTRADEY-OAHLLOKOSA-N 0 2 334.807 3.418 10 5 EGBELN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183895549 455336502 /nfs/dbraw/zinc/33/65/02/455336502.db2.gz LBVAKWNOQYFRFD-SECBINFHSA-N 0 2 336.731 3.360 10 5 EGBELN O=C(COc1cccc2ccccc21)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000186014757 455676084 /nfs/dbraw/zinc/67/60/84/455676084.db2.gz CTXUSXYVVMEKBP-UHFFFAOYSA-N 0 2 338.319 3.471 10 5 EGBELN Cc1cc(C)cc(C[C@@H](C)NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000354208720 457130786 /nfs/dbraw/zinc/13/07/86/457130786.db2.gz WOHAWKLRFRLOPT-CYBMUJFWSA-N 0 2 328.368 3.278 10 5 EGBELN O=C(N[C@H]1CCOc2c(Cl)cccc21)c1cccc(O)c1[N+](=O)[O-] ZINC000370572711 457675084 /nfs/dbraw/zinc/67/50/84/457675084.db2.gz UEYPLTISLVRHKZ-LBPRGKRZSA-N 0 2 348.742 3.207 10 5 EGBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@](F)(c2ccccc2)C1 ZINC000367274308 457941599 /nfs/dbraw/zinc/94/15/99/457941599.db2.gz LILPQLNDAOHGPW-QGZVFWFLSA-N 0 2 330.315 3.011 10 5 EGBELN C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000375786204 458064919 /nfs/dbraw/zinc/06/49/19/458064919.db2.gz LZVJLBICVZTENF-AAEUAGOBSA-N 0 2 344.342 3.458 10 5 EGBELN Cc1cnc(C2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)s1 ZINC000375999403 458156008 /nfs/dbraw/zinc/15/60/08/458156008.db2.gz OBPVKEVZOHZFDU-UHFFFAOYSA-N 0 2 347.396 3.085 10 5 EGBELN Cc1ccc(C2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)cn1 ZINC000376001240 458157496 /nfs/dbraw/zinc/15/74/96/458157496.db2.gz WWWLLGCFBLDCRR-UHFFFAOYSA-N 0 2 341.367 3.024 10 5 EGBELN Cc1ccc([C@H]2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C2)cc1 ZINC000376140645 458210244 /nfs/dbraw/zinc/21/02/44/458210244.db2.gz NDDORVTYCNTQAJ-AWEZNQCLSA-N 0 2 326.352 3.239 10 5 EGBELN CC(C)[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])Nc1ccccc1 ZINC000431507406 458582726 /nfs/dbraw/zinc/58/27/26/458582726.db2.gz STYBXQJFRZETSY-MRXNPFEDSA-N 0 2 343.383 3.167 10 5 EGBELN CC(C)(C)O[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C12CCC2 ZINC000598297148 459852989 /nfs/dbraw/zinc/85/29/89/459852989.db2.gz PKFRQDAWLCRMCI-GJZGRUSLSA-N 0 2 348.399 3.157 10 5 EGBELN COc1ccc2c(c1)[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)CCC2 ZINC000594338010 460190613 /nfs/dbraw/zinc/19/06/13/460190613.db2.gz WZEZMOHZCKRHLQ-AWEZNQCLSA-N 0 2 342.351 3.368 10 5 EGBELN CC(C)(C)c1nc(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cs1 ZINC000183910000 526857308 /nfs/dbraw/zinc/85/73/08/526857308.db2.gz DAXFIVKYSYCPOI-UHFFFAOYSA-N 0 2 335.385 3.236 10 5 EGBELN CN(CCCCc1ccccc1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000350553424 536341695 /nfs/dbraw/zinc/34/16/95/536341695.db2.gz DYRLCXXNQDTXSX-UHFFFAOYSA-N 0 2 328.368 3.395 10 5 EGBELN O=C(Nc1n[nH]c2c1cccc2Cl)c1ccc([N+](=O)[O-])cc1O ZINC001151702532 1379766088 /nfs/dbraw/zinc/76/60/88/1379766088.db2.gz SJEKIGDUETWPKG-UHFFFAOYSA-N 0 2 332.703 3.082 10 5 EGBELN O=C(NCCSCc1cccs1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000035286913 202293849 /nfs/dbraw/zinc/29/38/49/202293849.db2.gz KGKRERVMCZAHJA-UHFFFAOYSA-N 0 2 338.410 3.025 10 5 EGBELN C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000341222754 155212153 /nfs/dbraw/zinc/21/21/53/155212153.db2.gz WNZLQYAGKIZMQQ-VIFPVBQESA-N 0 2 336.294 3.412 10 5 EGBELN Cc1nc(CC2CC2)sc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000190893357 153165120 /nfs/dbraw/zinc/16/51/20/153165120.db2.gz FOFMXAQZJOUDGC-UHFFFAOYSA-N 0 2 333.369 3.270 10 5 EGBELN O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000346832371 156157074 /nfs/dbraw/zinc/15/70/74/156157074.db2.gz SRPJZPVBNJFIFA-UHFFFAOYSA-N 0 2 348.265 3.367 10 5 EGBELN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000346832371 156157079 /nfs/dbraw/zinc/15/70/79/156157079.db2.gz SRPJZPVBNJFIFA-UHFFFAOYSA-N 0 2 348.265 3.367 10 5 EGBELN CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])C1C2CC3CC(C2)CC1C3 ZINC000346153527 164351220 /nfs/dbraw/zinc/35/12/20/164351220.db2.gz QEIYWIQKVRDXRW-UHFFFAOYSA-N 0 2 330.384 3.197 10 5 EGBELN CCCOc1ccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c(C)c1 ZINC000355152724 166118442 /nfs/dbraw/zinc/11/84/42/166118442.db2.gz TWPFTXIXJGGCBW-UHFFFAOYSA-N 0 2 344.367 3.328 10 5 EGBELN Cc1ccccc1CC(C)(C)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280778661 275494836 /nfs/dbraw/zinc/49/48/36/275494836.db2.gz CJTGHPKZIZVIEY-UHFFFAOYSA-N 0 2 328.368 3.360 10 5 EGBELN COc1ccc(C)cc1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436748402 309771966 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O=C(NCCCc1cccc(Cl)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000509831805 312127477 /nfs/dbraw/zinc/12/74/77/312127477.db2.gz JDBYIPDRECTWAF-UHFFFAOYSA-N 0 2 334.759 3.316 10 5 EGBELN Cc1csc(C2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)n1 ZINC000071855418 454232423 /nfs/dbraw/zinc/23/24/23/454232423.db2.gz AMTLDOASVOCWAC-UHFFFAOYSA-N 0 2 347.396 3.085 10 5 EGBELN O=C(COCc1ccccc1Cl)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166135883 454908178 /nfs/dbraw/zinc/90/81/78/454908178.db2.gz WZYRJPXHHUXARL-UHFFFAOYSA-N 0 2 336.731 3.109 10 5 EGBELN COc1ccc(CCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1F ZINC000166135372 454908484 /nfs/dbraw/zinc/90/84/84/454908484.db2.gz RHEAQFRYRFHXCP-UHFFFAOYSA-N 0 2 334.303 3.019 10 5 EGBELN CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC[C@@H]1C(F)(F)F ZINC000190708486 455371129 /nfs/dbraw/zinc/37/11/29/455371129.db2.gz BJNXMOLAMDQGBD-LBPRGKRZSA-N 0 2 346.305 3.351 10 5 EGBELN O=C(CCCc1nc2ccccc2[nH]1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000182089326 455433029 /nfs/dbraw/zinc/43/30/29/455433029.db2.gz 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CC(C)OCc1ccccc1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000585995328 459857682 /nfs/dbraw/zinc/85/76/82/459857682.db2.gz FWXMFONKPQBHJV-UHFFFAOYSA-N 0 2 344.367 3.155 10 5 EGBELN CC[C@H](OCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1 ZINC000593788127 459986775 /nfs/dbraw/zinc/98/67/75/459986775.db2.gz YQCDNHBFUMNXFC-KRWDZBQOSA-N 0 2 344.367 3.198 10 5 EGBELN O=C(N[C@H]1CCSc2ccccc21)c1cccc(O)c1[N+](=O)[O-] ZINC000355903779 303982027 /nfs/dbraw/zinc/98/20/27/303982027.db2.gz CUFSYDUVJGKXJW-LBPRGKRZSA-N 0 2 330.365 3.267 10 5 EGBELN O=C(Nc1nc(-c2ccc[nH]2)cs1)c1cc(O)ccc1[N+](=O)[O-] ZINC000352638534 304013876 /nfs/dbraw/zinc/01/38/76/304013876.db2.gz VIVONFFAGNUAGW-UHFFFAOYSA-N 0 2 330.325 3.004 10 5 EGBELN O=C(c1cccc(O)c1[N+](=O)[O-])N(Cc1ccc(F)cc1F)C1CC1 ZINC000341215549 141139620 /nfs/dbraw/zinc/13/96/20/141139620.db2.gz LDSHJEPKNRAEGZ-UHFFFAOYSA-N 0 2 348.305 3.383 10 5 EGBELN CCN(Cc1c(F)cccc1F)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000346335852 164370803 /nfs/dbraw/zinc/37/08/03/164370803.db2.gz PKAMRIZYZLGCLW-UHFFFAOYSA-N 0 2 336.294 3.241 10 5 EGBELN CCc1csc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)n1 ZINC000414438965 309080137 /nfs/dbraw/zinc/08/01/37/309080137.db2.gz JQYVEWQWYZDCND-UHFFFAOYSA-N 0 2 341.414 3.031 10 5 EGBELN Cn1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c(C2CCCCC2)n1 ZINC000295805250 308361945 /nfs/dbraw/zinc/36/19/45/308361945.db2.gz NSABXRGKBHWHTL-UHFFFAOYSA-N 0 2 344.371 3.334 10 5 EGBELN O=C(NCC[C@H]1CCc2ccccc21)c1cccc(O)c1[N+](=O)[O-] ZINC000452722900 310238724 /nfs/dbraw/zinc/23/87/24/310238724.db2.gz WAYZCRROWNWADW-CYBMUJFWSA-N 0 2 326.352 3.150 10 5 EGBELN O=C(CCCOc1ccccc1F)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183903550 455336925 /nfs/dbraw/zinc/33/69/25/455336925.db2.gz NBYDDIFUZAORSL-UHFFFAOYSA-N 0 2 334.303 3.237 10 5 EGBELN Cc1cc(N2CCCC2)ccc1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000348493490 456713814 /nfs/dbraw/zinc/71/38/14/456713814.db2.gz IQVSMUONFWGPLO-UHFFFAOYSA-N 0 2 341.367 3.461 10 5 EGBELN CCCCO[C@@H]1C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC000353573895 456774269 /nfs/dbraw/zinc/77/42/69/456774269.db2.gz YUVDGYVNAXIALS-LSDHHAIUSA-N 0 2 336.388 3.014 10 5 EGBELN O=C(Nc1nc(-c2ccco2)cs1)c1cccc(O)c1[N+](=O)[O-] ZINC000362760230 457081257 /nfs/dbraw/zinc/08/12/57/457081257.db2.gz PUFLVJRKSIRLCU-UHFFFAOYSA-N 0 2 331.309 3.269 10 5 EGBELN CO[C@@H]1CCOc2c(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cccc21 ZINC000355482245 457380356 /nfs/dbraw/zinc/38/03/56/457380356.db2.gz VQBONSVTKVFCAC-OAHLLOKOSA-N 0 2 344.323 3.023 10 5 EGBELN O=C(N[C@H]1CCC[C@H]1c1ccccc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000375753909 458050270 /nfs/dbraw/zinc/05/02/70/458050270.db2.gz AZYAZCGNFUITJG-HOCLYGCPSA-N 0 2 326.352 3.367 10 5 EGBELN O=C(NCc1ccc(-c2cccnc2)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000371785804 458072106 /nfs/dbraw/zinc/07/21/06/458072106.db2.gz RWOYYZWJWIZCGB-UHFFFAOYSA-N 0 2 349.346 3.292 10 5 EGBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC(Cc2ccccc2Cl)C1 ZINC000372246856 458246681 /nfs/dbraw/zinc/24/66/81/458246681.db2.gz HSWXUSMWDDOACE-UHFFFAOYSA-N 0 2 346.770 3.269 10 5 EGBELN CC(C)Oc1ccc(F)cc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436875132 458397106 /nfs/dbraw/zinc/39/71/06/458397106.db2.gz WNULVOBWGOSARK-UHFFFAOYSA-N 0 2 334.303 3.479 10 5 EGBELN O=C(C[C@@]12CCCC[C@@H]1C2(F)F)Nc1cc([N+](=O)[O-])ccc1O ZINC000597441283 459955829 /nfs/dbraw/zinc/95/58/29/459955829.db2.gz GEVZDSJDTBQPJN-JSGCOSHPSA-N 0 2 326.299 3.455 10 5 EGBELN O=C(N[C@H](C(F)F)C1CCCCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000598913689 460091809 /nfs/dbraw/zinc/09/18/09/460091809.db2.gz VTSCGBUXZYKZSH-LBPRGKRZSA-N 0 2 328.315 3.244 10 5 EGBELN CCOc1cccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC001153456155 1380079844 /nfs/dbraw/zinc/07/98/44/1380079844.db2.gz UMRYPJKUZUARIJ-UHFFFAOYSA-N 0 2 330.340 3.270 10 5 EGBELN O=C(Nc1nnc(-c2ccsc2)s1)c1cc(O)ccc1[N+](=O)[O-] ZINC000377666633 169057145 /nfs/dbraw/zinc/05/71/45/169057145.db2.gz DXBRYHROINNZKU-UHFFFAOYSA-N 0 2 348.365 3.133 10 5 EGBELN CC(C)(C)c1csc(CCNC(=O)c2cc(O)ccc2[N+](=O)[O-])n1 ZINC000346293516 164364291 /nfs/dbraw/zinc/36/42/91/164364291.db2.gz AUUSFWIUNNEAAC-UHFFFAOYSA-N 0 2 349.412 3.027 10 5 EGBELN COCCC1(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])CCCCC1 ZINC000354848030 166047312 /nfs/dbraw/zinc/04/73/12/166047312.db2.gz MKWVNHABZFUTQV-UHFFFAOYSA-N 0 2 336.388 3.017 10 5 EGBELN CC(C)Oc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c(F)c1 ZINC000351959561 165168645 /nfs/dbraw/zinc/16/86/45/165168645.db2.gz POCPPTXEXLTKCK-UHFFFAOYSA-N 0 2 334.303 3.479 10 5 EGBELN Cc1ccccc1[C@]1(F)CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000355842811 166325367 /nfs/dbraw/zinc/32/53/67/166325367.db2.gz FCNAXTGNJOGHDD-SFHVURJKSA-N 0 2 344.342 3.320 10 5 EGBELN CC[C@](C)(NC(=O)c1cccc(O)c1[N+](=O)[O-])c1nc(C)cs1 ZINC000280763016 275493342 /nfs/dbraw/zinc/49/33/42/275493342.db2.gz BDDOHEBDNIQAEQ-HNNXBMFYSA-N 0 2 335.385 3.121 10 5 EGBELN CN(Cc1cc(Cl)ccc1F)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436900427 309780175 /nfs/dbraw/zinc/78/01/75/309780175.db2.gz IFXDQWYZERQTLE-UHFFFAOYSA-N 0 2 338.722 3.365 10 5 EGBELN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cn2)cc1 ZINC000437313562 309790176 /nfs/dbraw/zinc/79/01/76/309790176.db2.gz IXTHIPFHPNVHAR-UHFFFAOYSA-N 0 2 348.167 3.097 10 5 EGBELN CCc1cc(NC(=O)c2cccc(O)c2[N+](=O)[O-])c2ccccc2n1 ZINC000487046189 311008395 /nfs/dbraw/zinc/00/83/95/311008395.db2.gz OMXADKGPMZUAES-UHFFFAOYSA-N 0 2 337.335 3.085 10 5 EGBELN O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NC1CCCCC1 ZINC000130545497 454203486 /nfs/dbraw/zinc/20/34/86/454203486.db2.gz DJCGSCNPSTUHIC-UHFFFAOYSA-N 0 2 331.416 3.008 10 5 EGBELN O=C(NCCCCOCc1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000065319711 454551450 /nfs/dbraw/zinc/55/14/50/454551450.db2.gz XIPKHSNVTFUOQO-UHFFFAOYSA-N 0 2 344.367 3.027 10 5 EGBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000092547397 454585441 /nfs/dbraw/zinc/58/54/41/454585441.db2.gz HQKSKJYEIGSIBJ-GHMZBOCLSA-N 0 2 334.278 3.321 10 5 EGBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC=C(c2ccccc2F)CC1 ZINC000137327036 454777273 /nfs/dbraw/zinc/77/72/73/454777273.db2.gz CHKWKCQOCXUMNY-UHFFFAOYSA-N 0 2 342.326 3.369 10 5 EGBELN CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC[C@H]1C(F)(F)F ZINC000190708502 455371067 /nfs/dbraw/zinc/37/10/67/455371067.db2.gz BJNXMOLAMDQGBD-GFCCVEGCSA-N 0 2 346.305 3.351 10 5 EGBELN Cc1csc(C2(NC(=O)c3cccc(O)c3[N+](=O)[O-])CCCC2)n1 ZINC000281061813 456123971 /nfs/dbraw/zinc/12/39/71/456123971.db2.gz YTQAZGYGINRDNL-UHFFFAOYSA-N 0 2 347.396 3.265 10 5 EGBELN Cc1ccc(C[C@@H](C)NC(=O)c2cc(O)ccc2[N+](=O)[O-])c(C)c1 ZINC000353366834 456651976 /nfs/dbraw/zinc/65/19/76/456651976.db2.gz FGOTWHQRWNRJKY-CYBMUJFWSA-N 0 2 328.368 3.278 10 5 EGBELN O=C(NCCCc1c[nH]c2ccccc12)c1cc(O)ccc1[N+](=O)[O-] ZINC000353433155 456695603 /nfs/dbraw/zinc/69/56/03/456695603.db2.gz OSBIELNCWVDOBK-UHFFFAOYSA-N 0 2 339.351 3.144 10 5 EGBELN CCO[C@H](CCNC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CCCC1 ZINC000353646340 456826799 /nfs/dbraw/zinc/82/67/99/456826799.db2.gz CYMRBVSNBLSYKJ-MRXNPFEDSA-N 0 2 336.388 3.016 10 5 EGBELN Cc1ccc([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C2)cc1 ZINC000369907859 457454678 /nfs/dbraw/zinc/45/46/78/457454678.db2.gz HMPRQIKDINWRJA-HNNXBMFYSA-N 0 2 326.352 3.239 10 5 EGBELN O=C(Nc1cccc(-c2cnco2)c1)c1cccc(O)c1[N+](=O)[O-] ZINC000373832497 458617976 /nfs/dbraw/zinc/61/79/76/458617976.db2.gz TVUGELLELZXNDB-UHFFFAOYSA-N 0 2 325.280 3.208 10 5 EGBELN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC2(CCC2)[C@@H]1c1ccncc1 ZINC000598574407 459945060 /nfs/dbraw/zinc/94/50/60/459945060.db2.gz QKNDDSCAPAIGPC-INIZCTEOSA-N 0 2 339.351 3.063 10 5 EGBELN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)CCc2ccccc21 ZINC000593854978 460004365 /nfs/dbraw/zinc/00/43/65/460004365.db2.gz NUKZDHOXUWXCMX-GFCCVEGCSA-N 0 2 326.352 3.102 10 5 EGBELN CC[C@@H](CCc1ccccc1)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000600252480 460458611 /nfs/dbraw/zinc/45/86/11/460458611.db2.gz HLCVADGYBTVSHL-AWEZNQCLSA-N 0 2 328.368 3.442 10 5 EGBELN CCCN(Cc1ccc(OC)cc1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000600417998 460492074 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O=C(Nc1ncc(-c2cccnc2)s1)c1cccc(O)c1[N+](=O)[O-] ZINC000359342961 167132132 /nfs/dbraw/zinc/13/21/32/167132132.db2.gz ABJXNTPOGHUXFW-UHFFFAOYSA-N 0 2 342.336 3.071 10 5 EGBELN O=C(NC[C@@H]1CCCc2ccccc21)c1cccc(O)c1[N+](=O)[O-] ZINC000280748718 275490949 /nfs/dbraw/zinc/49/09/49/275490949.db2.gz KGOCCANDDAERAU-ZDUSSCGKSA-N 0 2 326.352 3.150 10 5 EGBELN Cc1ccc(C[C@@H](C)N(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000132233263 307655341 /nfs/dbraw/zinc/65/53/41/307655341.db2.gz WEUPZWKLZKTJDZ-CYBMUJFWSA-N 0 2 328.368 3.312 10 5 EGBELN CC(C)[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])Nc1ccccc1 ZINC000431507404 309634756 /nfs/dbraw/zinc/63/47/56/309634756.db2.gz STYBXQJFRZETSY-INIZCTEOSA-N 0 2 343.383 3.167 10 5 EGBELN Cc1ccccc1C[C@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000447065128 309973203 /nfs/dbraw/zinc/97/32/03/309973203.db2.gz FNAFWYDEYLWAQN-ZDUSSCGKSA-N 0 2 328.368 3.312 10 5 EGBELN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C2CCC2)cn1 ZINC000451050110 310157839 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O=C(N[C@@H](Cc1ccccc1)C1CC1)c1cccc(O)c1[N+](=O)[O-] ZINC000281011396 456108474 /nfs/dbraw/zinc/10/84/74/456108474.db2.gz SHFRFKVDQJVWID-HNNXBMFYSA-N 0 2 326.352 3.052 10 5 EGBELN O=C(c1cccc(O)c1[N+](=O)[O-])N(CCc1cccc(F)c1)C1CC1 ZINC000281023550 456111725 /nfs/dbraw/zinc/11/17/25/456111725.db2.gz ULFCEELRHYCYPD-UHFFFAOYSA-N 0 2 344.342 3.287 10 5 EGBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC[C@@H]1c1cccc(F)c1 ZINC000343079458 456392314 /nfs/dbraw/zinc/39/23/14/456392314.db2.gz PQDVYRNEUDLZJV-CQSZACIVSA-N 0 2 330.315 3.417 10 5 EGBELN O=C(NCC1(c2cccc(Cl)c2)CC1)c1cccc(O)c1[N+](=O)[O-] ZINC000343419173 456607622 /nfs/dbraw/zinc/60/76/22/456607622.db2.gz JBIMWYUZZBWFOL-UHFFFAOYSA-N 0 2 346.770 3.415 10 5 EGBELN Cc1c(CNC(=O)c2cccc(O)c2[N+](=O)[O-])oc2ccccc12 ZINC000343464946 456640587 /nfs/dbraw/zinc/64/05/87/456640587.db2.gz XKFPEMHTZYMIFA-UHFFFAOYSA-N 0 2 326.308 3.285 10 5 EGBELN C[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000353387229 456666531 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Cn1cccc1[C@@H]1CCCCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000579028458 325053088 /nfs/dbraw/zinc/05/30/88/325053088.db2.gz KWCXYHXFLGDBET-HNNXBMFYSA-N 0 2 343.383 3.396 10 5 EGBELN COc1ccc2[nH]c(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)cc2c1 ZINC000190590331 455348874 /nfs/dbraw/zinc/34/88/74/455348874.db2.gz PGQIPPZZLQMROW-UHFFFAOYSA-N 0 2 327.296 3.043 10 5 EGBELN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C)sc1C ZINC000032149213 453865011 /nfs/dbraw/zinc/86/50/11/453865011.db2.gz NYAHLWSBSKCVMW-UHFFFAOYSA-N 0 2 342.398 3.083 10 5 EGBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000089531575 454160088 /nfs/dbraw/zinc/16/00/88/454160088.db2.gz GVOZXUXPTPYCAL-CMPLNLGQSA-N 0 2 334.278 3.321 10 5 EGBELN CC[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000166102644 454907246 /nfs/dbraw/zinc/90/72/46/454907246.db2.gz XNIDUJXPFPQQOG-CQSZACIVSA-N 0 2 330.340 3.441 10 5 EGBELN COc1ccc(CC[C@@H](C)NC(=O)c2cccc(O)c2[N+](=O)[O-])cc1 ZINC000280721721 456038330 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Cc1ccnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1C1CC1 ZINC000594726173 459142530 /nfs/dbraw/zinc/14/25/30/459142530.db2.gz FBYAJTKZWLNMPJ-UHFFFAOYSA-N 0 2 347.396 3.285 10 5 EGBELN CN(C[C@@H]1CCc2ccccc21)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000598472732 459906886 /nfs/dbraw/zinc/90/68/86/459906886.db2.gz ZFAUFRNTUHVVSS-ZDUSSCGKSA-N 0 2 326.352 3.102 10 5 EGBELN C[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000598576934 459947011 /nfs/dbraw/zinc/94/70/11/459947011.db2.gz MLERJRONEVOZSU-NSHDSACASA-N 0 2 342.351 3.116 10 5 EGBELN O=C(C[C@@]12CCCC[C@@H]1C2(F)F)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000597491763 459974055 /nfs/dbraw/zinc/97/40/55/459974055.db2.gz QKFDGYKNDZKXOH-JSGCOSHPSA-N 0 2 326.299 3.455 10 5 EGBELN C[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CCc2ccc(F)cc21 ZINC000593886700 460010072 /nfs/dbraw/zinc/01/00/72/460010072.db2.gz NEFBVQJXDGGXHO-LLVKDONJSA-N 0 2 344.342 3.242 10 5 EGBELN Cc1ccc(S(=O)(=O)Nc2cccc(C3CC3)n2)c(C)c1[N+](=O)[O-] ZINC000598735237 460012619 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CC(C)(CCNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC001142124047 1378414073 /nfs/dbraw/zinc/41/40/73/1378414073.db2.gz DTASZXKTSDKEQC-UHFFFAOYSA-N 0 2 328.368 3.398 10 5 EGBELN CCO[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C12CCCCC2 ZINC001293663900 1382329483 /nfs/dbraw/zinc/32/94/83/1382329483.db2.gz MHYGQNSKWYKZGF-JKSUJKDBSA-N 0 2 348.399 3.158 10 5 EGBELN O=C(Nc1nc2c(cccc2Cl)[nH]1)c1cc(O)ccc1[N+](=O)[O-] ZINC000353936178 304015630 /nfs/dbraw/zinc/01/56/30/304015630.db2.gz YURDJUOZZOGARB-UHFFFAOYSA-N 0 2 332.703 3.082 10 5 EGBELN Cc1ccc(-n2cccn2)cc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000191837454 153223156 /nfs/dbraw/zinc/22/31/56/153223156.db2.gz WCLNLLYTZHEWQC-UHFFFAOYSA-N 0 2 338.323 3.047 10 5 EGBELN CCO[C@@H]1C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C12CCCCC2 ZINC000377103435 286380339 /nfs/dbraw/zinc/38/03/39/286380339.db2.gz MXEIKWAVOPOTLG-JKSUJKDBSA-N 0 2 348.399 3.158 10 5 EGBELN Cc1nc(C(C)(C)NC(=O)c2cccc(O)c2[N+](=O)[O-])sc1C ZINC000343492369 155830741 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O=C(NCC1(Cc2ccccc2)CCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000280956445 275509308 /nfs/dbraw/zinc/50/93/08/275509308.db2.gz JHBHALOEBWFGAA-UHFFFAOYSA-N 0 2 340.379 3.443 10 5 EGBELN C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000295923743 308375152 /nfs/dbraw/zinc/37/51/52/308375152.db2.gz JJCUTLXEMVWWOS-BDAKNGLRSA-N 0 2 332.278 3.103 10 5 EGBELN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C2CC2)n1 ZINC000451036207 310156936 /nfs/dbraw/zinc/15/69/36/310156936.db2.gz DWAPPRJTAFKDON-UHFFFAOYSA-N 0 2 347.396 3.230 10 5 EGBELN C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000548518653 315021547 /nfs/dbraw/zinc/02/15/47/315021547.db2.gz IMBMIAOPCFJLGV-LLVKDONJSA-N 0 2 342.351 3.195 10 5 EGBELN CCc1ccc(C(=O)CCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000166104336 454907553 /nfs/dbraw/zinc/90/75/53/454907553.db2.gz DDERNWBCPFWSJE-UHFFFAOYSA-N 0 2 342.351 3.464 10 5 EGBELN CC(C)(Oc1ccc(F)cc1)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000182089264 455433185 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C[C@@H](Oc1ccccc1)c1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000445230309 458029633 /nfs/dbraw/zinc/02/96/33/458029633.db2.gz HJRIFQNRXRTXFV-SNVBAGLBSA-N 0 2 327.296 3.490 10 5 EGBELN C[C@]1(c2ccccc2)CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000369597781 458282167 /nfs/dbraw/zinc/28/21/67/458282167.db2.gz QRNNEZZXXGXWIF-SFHVURJKSA-N 0 2 326.352 3.104 10 5 EGBELN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000456571943 458717481 /nfs/dbraw/zinc/71/74/81/458717481.db2.gz RVJQBAWFMXZSFK-OAHLLOKOSA-N 0 2 328.324 3.261 10 5 EGBELN O=C(c1cc([N+](=O)[O-])ccc1O)N(Cc1ccccc1F)CC1CC1 ZINC000598251812 459840595 /nfs/dbraw/zinc/84/05/95/459840595.db2.gz NYVBKWKIOPUJQZ-UHFFFAOYSA-N 0 2 344.342 3.492 10 5 EGBELN CC(=O)Nc1c(C)ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1C ZINC000586751224 459862869 /nfs/dbraw/zinc/86/28/69/459862869.db2.gz PCBZQHBZEFIVHC-UHFFFAOYSA-N 0 2 343.339 3.128 10 5 EGBELN Cc1cccc2c1CCC[C@@H]2NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000598474013 459908298 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Cc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c(C(F)(F)F)o1 ZINC000361651824 144343390 /nfs/dbraw/zinc/34/33/90/144343390.db2.gz DNBXIEXUGDKIBH-UHFFFAOYSA-N 0 2 330.218 3.473 10 5 EGBELN CCO[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])C12CCCCC2 ZINC000373831087 286275815 /nfs/dbraw/zinc/27/58/15/286275815.db2.gz JZVYNJCZOXGMBH-HUUCEWRRSA-N 0 2 348.399 3.158 10 5 EGBELN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000327068146 154186232 /nfs/dbraw/zinc/18/62/32/154186232.db2.gz BXANVBLPSHSUKG-UHFFFAOYSA-N 0 2 342.229 3.451 10 5 EGBELN CC(C)C(=O)Nc1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000346167032 164355022 /nfs/dbraw/zinc/35/50/22/164355022.db2.gz WOWYWBGNGBELEM-UHFFFAOYSA-N 0 2 343.339 3.147 10 5 EGBELN COc1ccc2cc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])ccc2n1 ZINC000346306667 164366931 /nfs/dbraw/zinc/36/69/31/164366931.db2.gz GOWMZAJUNAKLHK-UHFFFAOYSA-N 0 2 339.307 3.110 10 5 EGBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cnc2c(F)cccc2c1 ZINC000346334038 164370197 /nfs/dbraw/zinc/37/01/97/164370197.db2.gz XDAMPMCTHCNULL-UHFFFAOYSA-N 0 2 327.271 3.240 10 5 EGBELN O=C(Nc1ccc(OC(F)F)cc1F)c1cc(O)ccc1[N+](=O)[O-] ZINC000355851227 166327200 /nfs/dbraw/zinc/32/72/00/166327200.db2.gz AYEZHRCSEZKNDS-UHFFFAOYSA-N 0 2 342.229 3.293 10 5 EGBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCc2ccc(Cl)cc2C1 ZINC000354398450 304502353 /nfs/dbraw/zinc/50/23/53/304502353.db2.gz XVFWXGJOCCYVSA-UHFFFAOYSA-N 0 2 332.743 3.152 10 5 EGBELN CN(CC1(c2ccccc2)CC1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000355030000 289556699 /nfs/dbraw/zinc/55/66/99/289556699.db2.gz ILETXYMDUVHXMJ-UHFFFAOYSA-N 0 2 326.352 3.104 10 5 EGBELN Cc1ccn(-c2ccccc2NC(=O)c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000180160053 302249480 /nfs/dbraw/zinc/24/94/80/302249480.db2.gz CYQKITGPLBFRQZ-UHFFFAOYSA-N 0 2 338.323 3.047 10 5 EGBELN O=C(N[C@H](c1ccco1)c1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000436886545 309779265 /nfs/dbraw/zinc/77/92/65/309779265.db2.gz SNTJBUKCWJUPLJ-KRWDZBQOSA-N 0 2 338.319 3.413 10 5 EGBELN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2c1OCCC2 ZINC000464561962 310622285 /nfs/dbraw/zinc/62/22/85/310622285.db2.gz SLRYBWUDRXTTHT-UHFFFAOYSA-N 0 2 348.380 3.029 10 5 EGBELN Cc1ccccc1C(C)(C)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000469627837 310708289 /nfs/dbraw/zinc/70/82/89/310708289.db2.gz QVGUGYSEGHMLIE-UHFFFAOYSA-N 0 2 328.368 3.316 10 5 EGBELN CC(C)c1ccc(CCNC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000551902974 315176706 /nfs/dbraw/zinc/17/67/06/315176706.db2.gz IRAMJZATTLIMHV-UHFFFAOYSA-N 0 2 328.368 3.396 10 5 EGBELN CC[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])Oc1cccc(C)c1 ZINC000552277026 315211164 /nfs/dbraw/zinc/21/11/64/315211164.db2.gz OTTQRGMSRKIIHB-CQSZACIVSA-N 0 2 344.367 3.196 10 5 EGBELN CCOc1ccc(CCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000183897071 455337521 /nfs/dbraw/zinc/33/75/21/455337521.db2.gz JZRSFIRQPQTLLT-UHFFFAOYSA-N 0 2 330.340 3.270 10 5 EGBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000079667260 454461241 /nfs/dbraw/zinc/46/12/41/454461241.db2.gz NOMREFHELTUJFR-HNNXBMFYSA-N 0 2 344.342 3.287 10 5 EGBELN O=C(c1c(O)cc(F)cc1F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000129510471 455115033 /nfs/dbraw/zinc/11/50/33/455115033.db2.gz TXAICUUVWBGWRH-UHFFFAOYSA-N 0 2 348.305 3.383 10 5 EGBELN Cc1ccc(C[C@@H](C)NC(=O)c2cccc(O)c2[N+](=O)[O-])c(C)c1 ZINC000280937852 456087666 /nfs/dbraw/zinc/08/76/66/456087666.db2.gz LCBLMILQTCOLPD-CYBMUJFWSA-N 0 2 328.368 3.278 10 5 EGBELN Cc1ccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c(OC(C)C)c1 ZINC000353924424 456967718 /nfs/dbraw/zinc/96/77/18/456967718.db2.gz JPQGSMPDMZNHOL-UHFFFAOYSA-N 0 2 344.367 3.326 10 5 EGBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC[C@@H]1Cc1ccccc1 ZINC000374030328 457447256 /nfs/dbraw/zinc/44/72/56/457447256.db2.gz AQQWQQYRVKBKOJ-CQSZACIVSA-N 0 2 326.352 3.148 10 5 EGBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CC[C@@H](Cc2ccccc2)C1 ZINC000370306078 457614875 /nfs/dbraw/zinc/61/48/75/457614875.db2.gz RTTBLBSCWWBVDL-AWEZNQCLSA-N 0 2 326.352 3.005 10 5 EGBELN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC(Cc2ccccc2Cl)C1 ZINC000371553177 457986161 /nfs/dbraw/zinc/98/61/61/457986161.db2.gz MLFRDJFVGUZDHZ-UHFFFAOYSA-N 0 2 346.770 3.269 10 5 EGBELN Cc1cccc([C@H]2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C2)c1 ZINC000376141458 458210659 /nfs/dbraw/zinc/21/06/59/458210659.db2.gz MTWSROLTQQWYSO-AWEZNQCLSA-N 0 2 326.352 3.239 10 5 EGBELN O=C(Nc1nc(C(F)(F)F)cs1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436599432 458342501 /nfs/dbraw/zinc/34/25/01/458342501.db2.gz COPLFDKZPFTIIS-UHFFFAOYSA-N 0 2 333.247 3.028 10 5 EGBELN CN1CCC[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])c2ccccc21 ZINC000456616476 458732301 /nfs/dbraw/zinc/73/23/01/458732301.db2.gz XNQVXQNAMOMGDA-OAHLLOKOSA-N 0 2 341.367 3.002 10 5 EGBELN CN(C[C@@H]1CCc2ccccc21)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000598470816 459906518 /nfs/dbraw/zinc/90/65/18/459906518.db2.gz SQQYGRHJCJQTTO-ZDUSSCGKSA-N 0 2 326.352 3.102 10 5 EGBELN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)CCc2ccccc21 ZINC000593854980 460003923 /nfs/dbraw/zinc/00/39/23/460003923.db2.gz NUKZDHOXUWXCMX-LBPRGKRZSA-N 0 2 326.352 3.102 10 5 EGBELN O=C(NOCc1ccccc1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000864597892 1329629067 /nfs/dbraw/zinc/62/90/67/1329629067.db2.gz YLBMWTWJKZUXIP-UHFFFAOYSA-N 0 2 326.352 3.265 10 5 EGBELN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc2c(c1)CCC2 ZINC001137977700 1377657075 /nfs/dbraw/zinc/65/70/75/1377657075.db2.gz GGYHXCWBTCDONW-LLVKDONJSA-N 0 2 326.352 3.280 10 5 EGBELN CC[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000346435464 141194222 /nfs/dbraw/zinc/19/42/22/141194222.db2.gz MKIIPZZLNKQIGH-CYBMUJFWSA-N 0 2 348.330 3.027 10 5 EGBELN CCO[C@@H]1C[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1(CC)CC ZINC000354530465 286275224 /nfs/dbraw/zinc/27/52/24/286275224.db2.gz HGMIBZBMIRXXSN-HUUCEWRRSA-N 0 2 336.388 3.014 10 5 EGBELN COc1cc(C)c(NC(=O)c2cccc(O)c2[N+](=O)[O-])c(C)c1C ZINC000345966570 164305439 /nfs/dbraw/zinc/30/54/39/164305439.db2.gz PSQOJFOMPSEPHF-UHFFFAOYSA-N 0 2 330.340 3.487 10 5 EGBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccn(C2CCCCC2)n1 ZINC000350670306 165066188 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EGBELN C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000295923745 308375063 /nfs/dbraw/zinc/37/50/63/308375063.db2.gz JJCUTLXEMVWWOS-DTWKUNHWSA-N 0 2 332.278 3.103 10 5 EGBELN CC(C)Cn1ncc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1C1CC1 ZINC000490290314 311138300 /nfs/dbraw/zinc/13/83/00/311138300.db2.gz UVJROLRGZTZLLR-UHFFFAOYSA-N 0 2 344.371 3.283 10 5 EGBELN O=C(NCCc1cc2ccccc2s1)c1cc(O)ccc1[N+](=O)[O-] ZINC000506704393 312053288 /nfs/dbraw/zinc/05/32/88/312053288.db2.gz WMJWNNJAGQIMRE-UHFFFAOYSA-N 0 2 342.376 3.488 10 5 EGBELN CC(C)c1n[nH]c(=NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000572948101 317414785 /nfs/dbraw/zinc/41/47/85/317414785.db2.gz PNMBABBTRMFUSY-UHFFFAOYSA-N 0 2 331.401 3.128 10 5 EGBELN O=C(NCC1(C(F)(F)F)CCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000600699414 460572478 /nfs/dbraw/zinc/57/24/78/460572478.db2.gz BEXMWAWUOUADHR-UHFFFAOYSA-N 0 2 332.278 3.153 10 5 EGBELN Cc1cc(C)cc(CS(=O)(=O)Cc2cc([N+](=O)[O-])ccc2O)c1 ZINC000069706576 454135338 /nfs/dbraw/zinc/13/53/38/454135338.db2.gz SWEOYURPPUSFNP-UHFFFAOYSA-N 0 2 335.381 3.032 10 5 EGBELN O=C(c1c(O)cc(F)cc1F)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000153854818 454840802 /nfs/dbraw/zinc/84/08/02/454840802.db2.gz WYBZZNWJVHSMRQ-UHFFFAOYSA-N 0 2 348.305 3.383 10 5 EGBELN CC(C)Oc1ccccc1CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166142109 454908403 /nfs/dbraw/zinc/90/84/03/454908403.db2.gz BXHAXDQJACNDGG-UHFFFAOYSA-N 0 2 330.340 3.269 10 5 EGBELN CC(C)n1cc2cc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])ccc2n1 ZINC000353097687 456487565 /nfs/dbraw/zinc/48/75/65/456487565.db2.gz HDTIVJYDJJVVMJ-UHFFFAOYSA-N 0 2 340.339 3.483 10 5 EGBELN CCn1c2ccc(C)cc2nc1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354524723 457270802 /nfs/dbraw/zinc/27/08/02/457270802.db2.gz HJCQDTFKYXJCPF-UHFFFAOYSA-N 0 2 340.339 3.231 10 5 EGBELN O=C(NCc1ccc(C(F)(F)F)cc1)c1cccc(O)c1[N+](=O)[O-] ZINC000358006048 457737683 /nfs/dbraw/zinc/73/76/83/457737683.db2.gz OWVDKYOLNJCLHQ-UHFFFAOYSA-N 0 2 340.257 3.249 10 5 EGBELN COc1ccc([C@H](C)N(C)C(=O)c2cccc(O)c2[N+](=O)[O-])cc1 ZINC000358150051 457816018 /nfs/dbraw/zinc/81/60/18/457816018.db2.gz BAEPAOLLSLWDOY-NSHDSACASA-N 0 2 330.340 3.142 10 5 EGBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000456551169 458711570 /nfs/dbraw/zinc/71/15/70/458711570.db2.gz BQWKLGLJOLWULB-HNNXBMFYSA-N 0 2 328.324 3.261 10 5 EGBELN COc1ccc(NC(=O)c2cc(F)c(O)c(Cl)c2)cc1[N+](=O)[O-] ZINC000584032817 459636863 /nfs/dbraw/zinc/63/68/63/459636863.db2.gz GCSKXDJCGYBYRP-UHFFFAOYSA-N 0 2 340.694 3.354 10 5 EGBELN O=C(CCCOCCc1ccccc1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183898182 534361313 /nfs/dbraw/zinc/36/13/13/534361313.db2.gz KWIOHMJWYWAGQV-UHFFFAOYSA-N 0 2 344.367 3.278 10 5 EGBELN COc1ccc(/C(C)=C\C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC001138013940 1377666131 /nfs/dbraw/zinc/66/61/31/1377666131.db2.gz ZNRCNQKDTJMPEX-LUAWRHEFSA-N 0 2 328.324 3.351 10 5 EGBELN Cc1cc(CCNC(=O)c2ccc([N+](=O)[O-])cc2O)ccc1Cl ZINC001159314988 1381760148 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Cc1[nH]c2ccccc2c1CCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000351835195 144313838 /nfs/dbraw/zinc/31/38/38/144313838.db2.gz WVIYPEZSKXJJAX-UHFFFAOYSA-N 0 2 339.351 3.063 10 5 EGBELN CCCN(Cc1ccc(F)cc1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000349145036 156366689 /nfs/dbraw/zinc/36/66/89/156366689.db2.gz TVZVEKNSMUFTDO-UHFFFAOYSA-N 0 2 332.331 3.492 10 5 EGBELN O=C(N[C@@H](Cc1ccccc1)C1CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000346360069 164374342 /nfs/dbraw/zinc/37/43/42/164374342.db2.gz ANPAVPYEZDSRTH-INIZCTEOSA-N 0 2 326.352 3.052 10 5 EGBELN CC(C)COc1cccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000350077530 165000136 /nfs/dbraw/zinc/00/01/36/165000136.db2.gz PHVHIDYSICXLSK-UHFFFAOYSA-N 0 2 344.367 3.265 10 5 EGBELN Cc1cccc(C)c1OC[C@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000352014063 165192259 /nfs/dbraw/zinc/19/22/59/165192259.db2.gz NXEAKJLMCGXCQU-ZDUSSCGKSA-N 0 2 344.367 3.115 10 5 EGBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@@H](c2cccc(F)c2)C1 ZINC000367540651 168238908 /nfs/dbraw/zinc/23/89/08/168238908.db2.gz OYSQVKIYDLDOKC-GFCCVEGCSA-N 0 2 330.315 3.069 10 5 EGBELN O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cc([N+](=O)[O-])ccc1O ZINC000179409399 265374443 /nfs/dbraw/zinc/37/44/43/265374443.db2.gz MAYJHBKIHOXELH-IUCAKERBSA-N 0 2 332.278 3.151 10 5 EGBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCCCC[C@H]1c1ccncc1 ZINC000280858067 275501855 /nfs/dbraw/zinc/50/18/55/275501855.db2.gz DEYLDANCGISECO-HNNXBMFYSA-N 0 2 341.367 3.453 10 5 EGBELN Cc1nc(C)c([C@H](C)N(C)C(=O)c2cccc(O)c2[N+](=O)[O-])s1 ZINC000281054909 275518043 /nfs/dbraw/zinc/51/80/43/275518043.db2.gz YBCLNJXOAWKLHA-VIFPVBQESA-N 0 2 335.385 3.207 10 5 EGBELN C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000297042888 308493046 /nfs/dbraw/zinc/49/30/46/308493046.db2.gz VADQNDOEQHVBTA-DTWKUNHWSA-N 0 2 332.278 3.103 10 5 EGBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC[C@@H](CC(F)(F)F)C1 ZINC000421968513 309348619 /nfs/dbraw/zinc/34/86/19/309348619.db2.gz RIMHCNPMTBIARC-VIFPVBQESA-N 0 2 332.278 3.105 10 5 EGBELN CCC[C@@H](Cc1ccccc1)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000510816026 312148837 /nfs/dbraw/zinc/14/88/37/312148837.db2.gz SYNZQYMTWMPULR-AWEZNQCLSA-N 0 2 328.368 3.442 10 5 EGBELN Cc1ccc(C(C)(C)CNC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000511136522 312155633 /nfs/dbraw/zinc/15/56/33/312155633.db2.gz BCSUXTRDZTWHSR-UHFFFAOYSA-N 0 2 328.368 3.316 10 5 EGBELN O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc([N+](=O)[O-])cn1 ZINC000545910573 314790526 /nfs/dbraw/zinc/79/05/26/314790526.db2.gz QLGLJZVGGNAIFM-UHFFFAOYSA-N 0 2 328.111 3.255 10 5 EGBELN CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000155982355 455069453 /nfs/dbraw/zinc/06/94/53/455069453.db2.gz GXZJVLSTNQFHJZ-OAHLLOKOSA-N 0 2 330.340 3.405 10 5 EGBELN O=C(NCc1ccc2sccc2c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000356713231 457129366 /nfs/dbraw/zinc/12/93/66/457129366.db2.gz UEVFNZHCXQUQCX-UHFFFAOYSA-N 0 2 328.349 3.445 10 5 EGBELN CO[C@H]1CCOc2c(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cccc21 ZINC000355482243 457379879 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O=C(Nc1nc(-c2cccnc2)cs1)c1cc(O)ccc1[N+](=O)[O-] ZINC000358932669 167011629 /nfs/dbraw/zinc/01/16/29/167011629.db2.gz JEPOZTYWACBAFN-UHFFFAOYSA-N 0 2 342.336 3.071 10 5 EGBELN Cc1cc(C)cc(C[C@H](C)NC(=O)c2cccc(O)c2[N+](=O)[O-])c1 ZINC000280947726 275508893 /nfs/dbraw/zinc/50/88/93/275508893.db2.gz MBYZMDFNBSJOHB-ZDUSSCGKSA-N 0 2 328.368 3.278 10 5 EGBELN CCC(CC)[C@H]1C[C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])CCO1 ZINC000281083693 275520530 /nfs/dbraw/zinc/52/05/30/275520530.db2.gz GGZKAOHGJOZWTR-SWLSCSKDSA-N 0 2 336.388 3.014 10 5 EGBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC(CC(F)(F)F)CC1 ZINC000330634951 308797063 /nfs/dbraw/zinc/79/70/63/308797063.db2.gz UIXZYJCMEFUZFZ-UHFFFAOYSA-N 0 2 332.278 3.105 10 5 EGBELN C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000539488608 314316609 /nfs/dbraw/zinc/31/66/09/314316609.db2.gz MYBMVJHPGKQKDZ-QFYYESIMSA-N 0 2 344.342 3.493 10 5 EGBELN O=C(NCC1CC(c2ccccc2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000549155214 315078297 /nfs/dbraw/zinc/07/82/97/315078297.db2.gz REMCPFVONYQKOE-UHFFFAOYSA-N 0 2 326.352 3.224 10 5 EGBELN CC(C)c1cccc(OCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000166112294 454907388 /nfs/dbraw/zinc/90/73/88/454907388.db2.gz JKWZFQFUAMREGY-UHFFFAOYSA-N 0 2 330.340 3.441 10 5 EGBELN O=C(N[C@@H](c1ccccc1)c1ccncc1)c1ccc([N+](=O)[O-])cc1O ZINC000184749164 455441221 /nfs/dbraw/zinc/44/12/21/455441221.db2.gz MAMDZNZIEKFTBY-SFHVURJKSA-N 0 2 349.346 3.215 10 5 EGBELN Cn1cccc1[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000266903371 455472642 /nfs/dbraw/zinc/47/26/42/455472642.db2.gz AIOFXDYRCCVAFI-AWEZNQCLSA-N 0 2 329.356 3.006 10 5 EGBELN COc1ccccc1CN(C(=O)c1cccc(O)c1[N+](=O)[O-])C1CC1 ZINC000281058646 456122902 /nfs/dbraw/zinc/12/29/02/456122902.db2.gz YKKAFNFULLQPBF-UHFFFAOYSA-N 0 2 342.351 3.114 10 5 EGBELN O=C(NCCCSc1ccccc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000348541072 456749506 /nfs/dbraw/zinc/74/95/06/456749506.db2.gz VXOQMZYCBDGOCK-UHFFFAOYSA-N 0 2 332.381 3.213 10 5 EGBELN O=C(NCc1ccc(C2CCC2)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000355352171 457362746 /nfs/dbraw/zinc/36/27/46/457362746.db2.gz ZRVWUFMYSYWJMJ-UHFFFAOYSA-N 0 2 326.352 3.498 10 5 EGBELN Cc1ccccc1C[C@@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000447079949 458262290 /nfs/dbraw/zinc/26/22/90/458262290.db2.gz YHSDLOIBZQERTK-CYBMUJFWSA-N 0 2 328.368 3.312 10 5 EGBELN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000598579089 459948220 /nfs/dbraw/zinc/94/82/20/459948220.db2.gz WHWFTWIMMCHCPT-NSHDSACASA-N 0 2 342.351 3.116 10 5 EGBELN CC[C@H](NC(=O)c1c(O)cc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000610528516 460176625 /nfs/dbraw/zinc/17/66/25/460176625.db2.gz VCYDDJPJJZOXJN-ZDUSSCGKSA-N 0 2 336.294 3.460 10 5 EGBELN Cc1ccc([C@H](C)NC(=O)c2c(O)cc(F)cc2F)cc1[N+](=O)[O-] ZINC000610638472 460202099 /nfs/dbraw/zinc/20/20/99/460202099.db2.gz AVPZDCHFWVKMJE-VIFPVBQESA-N 0 2 336.294 3.378 10 5 EGBELN CC1(C)Cc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3O)ccc2O1 ZINC001137482310 1377555986 /nfs/dbraw/zinc/55/59/86/1377555986.db2.gz WEURDLCHQDBATK-UHFFFAOYSA-N 0 2 328.324 3.266 10 5 EGBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N(Cc1ccco1)C1CCCC1 ZINC000183464742 235093998 /nfs/dbraw/zinc/09/39/98/235093998.db2.gz FMAAVAGLTYWYHT-UHFFFAOYSA-N 0 2 330.340 3.478 10 5 EGBELN CC[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000346435466 141193912 /nfs/dbraw/zinc/19/39/12/141193912.db2.gz MKIIPZZLNKQIGH-ZDUSSCGKSA-N 0 2 348.330 3.027 10 5 EGBELN C[NH+](C)[C@@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000361659445 144345485 /nfs/dbraw/zinc/34/54/85/144345485.db2.gz HOZLGLNKGZNQMZ-OAHLLOKOSA-N 0 2 349.774 3.195 10 5 EGBELN CC[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])c1cc(F)ccc1F ZINC000343420690 155804317 /nfs/dbraw/zinc/80/43/17/155804317.db2.gz LMRWBZXQVGSTIV-ZDUSSCGKSA-N 0 2 336.294 3.460 10 5 EGBELN CC[C@@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000343745496 164024372 /nfs/dbraw/zinc/02/43/72/164024372.db2.gz ZOAZFVSCTRVVNW-LBPRGKRZSA-N 0 2 348.330 3.027 10 5 EGBELN O=C(NCc1ccccc1OC1CCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000353825590 165899963 /nfs/dbraw/zinc/89/99/63/165899963.db2.gz KHUZBRFHPNJZAQ-UHFFFAOYSA-N 0 2 342.351 3.162 10 5 EGBELN CN(Cc1ccc(F)c(Cl)c1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000355335985 166168145 /nfs/dbraw/zinc/16/81/45/166168145.db2.gz FUKQJYGQWALTFF-UHFFFAOYSA-N 0 2 338.722 3.365 10 5 EGBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cnnc(-c2ccccc2)c1 ZINC000355583895 166251084 /nfs/dbraw/zinc/25/10/84/166251084.db2.gz YYLMLSXQWSXBCN-UHFFFAOYSA-N 0 2 336.307 3.010 10 5 EGBELN O=C(NCCc1cc2ccccc2s1)c1cccc(O)c1[N+](=O)[O-] ZINC000506546978 312050757 /nfs/dbraw/zinc/05/07/57/312050757.db2.gz HFRVVFPTHDXSKA-UHFFFAOYSA-N 0 2 342.376 3.488 10 5 EGBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000183907240 323634098 /nfs/dbraw/zinc/63/40/98/323634098.db2.gz LMEPSOZHRZSUPF-UWVGGRQHSA-N 0 2 334.278 3.321 10 5 EGBELN C[C@@]1(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])CCCc2ccccc21 ZINC000583372867 325518049 /nfs/dbraw/zinc/51/80/49/325518049.db2.gz LYXUXVJSUNKUCD-IBGZPJMESA-N 0 2 340.379 3.324 10 5 EGBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000183895739 455337206 /nfs/dbraw/zinc/33/72/06/455337206.db2.gz DTCSTCPUKDQKGM-CMPLNLGQSA-N 0 2 334.278 3.321 10 5 EGBELN O=C(N[C@H]1CCc2cc(Cl)ccc21)c1ccc([N+](=O)[O-])c(O)c1 ZINC000097680400 454442936 /nfs/dbraw/zinc/44/29/36/454442936.db2.gz WGAIFPKKNOBJNR-ZDUSSCGKSA-N 0 2 332.743 3.371 10 5 EGBELN O=C(COc1ccc(F)c(Cl)c1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166123136 454908182 /nfs/dbraw/zinc/90/81/82/454908182.db2.gz DAIPATDXVCWISE-UHFFFAOYSA-N 0 2 340.694 3.110 10 5 EGBELN O=C(NC[C@H]1CCCc2ccccc21)c1cccc(O)c1[N+](=O)[O-] ZINC000280748710 456044383 /nfs/dbraw/zinc/04/43/83/456044383.db2.gz KGOCCANDDAERAU-CYBMUJFWSA-N 0 2 326.352 3.150 10 5 EGBELN O=C(NCCc1csc2ccccc12)c1cccc(O)c1[N+](=O)[O-] ZINC000343068984 456385299 /nfs/dbraw/zinc/38/52/99/456385299.db2.gz ALMACNLDNLIKJI-UHFFFAOYSA-N 0 2 342.376 3.488 10 5 EGBELN Cc1ccc(SCCNC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000348654552 456802199 /nfs/dbraw/zinc/80/21/99/456802199.db2.gz NCUZIRKZFMMFBG-UHFFFAOYSA-N 0 2 332.381 3.131 10 5 EGBELN CC1(C)Oc2ccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cc2O1 ZINC000346146676 457020051 /nfs/dbraw/zinc/02/00/51/457020051.db2.gz DYXYCHPEJGWETO-UHFFFAOYSA-N 0 2 330.296 3.060 10 5 EGBELN O=C(Nc1csc(-c2ccncc2)n1)c1cc(O)ccc1[N+](=O)[O-] ZINC000354688286 457311686 /nfs/dbraw/zinc/31/16/86/457311686.db2.gz GLHSSDFRWLQZLB-UHFFFAOYSA-N 0 2 342.336 3.071 10 5 EGBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@H](c2ccc(F)cc2)C1 ZINC000376058923 458180551 /nfs/dbraw/zinc/18/05/51/458180551.db2.gz QNANLUGIGUCWRG-LBPRGKRZSA-N 0 2 330.315 3.069 10 5 EGBELN Cc1ccccc1[C@@]1(F)CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000436509827 458318399 /nfs/dbraw/zinc/31/83/99/458318399.db2.gz GCAXSOFOCPTNJK-GOSISDBHSA-N 0 2 344.342 3.320 10 5 EGBELN CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])C12CCC2 ZINC000598294662 459851046 /nfs/dbraw/zinc/85/10/46/459851046.db2.gz BHAQUEVRMKRQLZ-KGLIPLIRSA-N 0 2 348.399 3.157 10 5 EGBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC2(CCC2)[C@@H]1c1ccncc1 ZINC000598569826 459942346 /nfs/dbraw/zinc/94/23/46/459942346.db2.gz FEJVARSIYDPFNW-INIZCTEOSA-N 0 2 339.351 3.063 10 5 EGBELN O=C(CCCn1cnc2ccccc21)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000614271693 460077187 /nfs/dbraw/zinc/07/71/87/460077187.db2.gz VEIQHRFTLLTTJP-UHFFFAOYSA-N 0 2 340.339 3.069 10 5 EGBELN Cc1sc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)nc1C(C)C ZINC000576241218 460101474 /nfs/dbraw/zinc/10/14/74/460101474.db2.gz UITBMCHWZNPZJM-UHFFFAOYSA-N 0 2 347.443 3.345 10 5 EGBELN COc1ccc(/C(C)=C/C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC001138013941 1377665693 /nfs/dbraw/zinc/66/56/93/1377665693.db2.gz ZNRCNQKDTJMPEX-PKNBQFBNSA-N 0 2 328.324 3.351 10 5 EGBELN COc1ccc2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cnc2c1 ZINC001153455498 1380079573 /nfs/dbraw/zinc/07/95/73/1380079573.db2.gz LNWWJJKQSVPMHS-UHFFFAOYSA-N 0 2 339.307 3.110 10 5 EGBELN O=C(Nc1ccc(OC2CCCC2)nc1)c1ccc([N+](=O)[O-])cc1O ZINC001292601526 1382205061 /nfs/dbraw/zinc/20/50/61/1382205061.db2.gz BHPGGTADMPOULI-UHFFFAOYSA-N 0 2 343.339 3.269 10 5 EGBELN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(C)sc1C ZINC000120546045 152283626 /nfs/dbraw/zinc/28/36/26/152283626.db2.gz CFFHZEFOCBNPAO-UHFFFAOYSA-N 0 2 342.398 3.083 10 5 EGBELN O=C(Nc1csc(-c2ccccn2)n1)c1cc(O)ccc1[N+](=O)[O-] ZINC000354727460 166018623 /nfs/dbraw/zinc/01/86/23/166018623.db2.gz WADMCOSSYSEPMY-UHFFFAOYSA-N 0 2 342.336 3.071 10 5 EGBELN CCSc1cccc(CNC(=O)c2cccc(O)c2[N+](=O)[O-])c1 ZINC000343643659 164002157 /nfs/dbraw/zinc/00/21/57/164002157.db2.gz RJSGKTFNNGJQOC-UHFFFAOYSA-N 0 2 332.381 3.342 10 5 EGBELN CC[C@@H](NC(=O)c1cc(F)c(O)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000180127114 265395789 /nfs/dbraw/zinc/39/57/89/265395789.db2.gz PMLQZBRBGRRCBK-CQSZACIVSA-N 0 2 336.294 3.460 10 5 EGBELN O=C(N[C@H](Cc1ccccc1)C1CC1)c1cccc(O)c1[N+](=O)[O-] ZINC000281011399 275514177 /nfs/dbraw/zinc/51/41/77/275514177.db2.gz SHFRFKVDQJVWID-OAHLLOKOSA-N 0 2 326.352 3.052 10 5 EGBELN C[C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1OCCc2sccc21 ZINC000293517302 308138078 /nfs/dbraw/zinc/13/80/78/308138078.db2.gz PZGGEVNAKLBUBJ-BJOHPYRUSA-N 0 2 348.380 3.251 10 5 EGBELN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1nc2ccccc2[nH]1 ZINC000436980320 309784221 /nfs/dbraw/zinc/78/42/21/309784221.db2.gz PHJBWNPFNCKZBT-LBPRGKRZSA-N 0 2 340.339 3.058 10 5 EGBELN CC(C)c1ccccc1OCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000547863037 314949154 /nfs/dbraw/zinc/94/91/54/314949154.db2.gz LFXFWZPEBOIGTE-UHFFFAOYSA-N 0 2 330.340 3.441 10 5 EGBELN Cn1nc(C2CCCCC2)cc1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000552093405 315197227 /nfs/dbraw/zinc/19/72/27/315197227.db2.gz HYNHVZBUIBJOQH-UHFFFAOYSA-N 0 2 344.371 3.334 10 5 EGBELN CC[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])Oc1cccc(C)c1 ZINC000552277025 315210216 /nfs/dbraw/zinc/21/02/16/315210216.db2.gz OTTQRGMSRKIIHB-AWEZNQCLSA-N 0 2 344.367 3.196 10 5 EGBELN C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183903017 455337015 /nfs/dbraw/zinc/33/70/15/455337015.db2.gz TWGWXIQXBNKEMB-VIFPVBQESA-N 0 2 336.731 3.360 10 5 EGBELN COc1cccc([C@@H](C)CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000183910381 455338748 /nfs/dbraw/zinc/33/87/48/455338748.db2.gz XNLMWIZMOWJKSL-NSHDSACASA-N 0 2 330.340 3.441 10 5 EGBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1coc(-c2ccccc2)n1 ZINC000186025735 455679242 /nfs/dbraw/zinc/67/92/42/455679242.db2.gz QJLMZSRYZPLYPE-UHFFFAOYSA-N 0 2 325.280 3.208 10 5 EGBELN Cn1cccc1[C@@H]1CCCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280986156 456101049 /nfs/dbraw/zinc/10/10/49/456101049.db2.gz PZAQSWNRSHKVBJ-AWEZNQCLSA-N 0 2 329.356 3.006 10 5 EGBELN O=C(N[C@H]1CCc2c1cccc2Cl)c1cccc(O)c1[N+](=O)[O-] ZINC000343149971 456435379 /nfs/dbraw/zinc/43/53/79/456435379.db2.gz BEMUGFFJXVVCJJ-ZDUSSCGKSA-N 0 2 332.743 3.371 10 5 EGBELN Cc1cccc2[nH]cc(CCNC(=O)c3cc(O)ccc3[N+](=O)[O-])c21 ZINC000352576846 457478782 /nfs/dbraw/zinc/47/87/82/457478782.db2.gz LBCRZMPZORVEST-UHFFFAOYSA-N 0 2 339.351 3.063 10 5 EGBELN CCc1c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cnn1CCC(C)C ZINC000427715374 458027035 /nfs/dbraw/zinc/02/70/35/458027035.db2.gz QBUDLPJZFAKGMW-UHFFFAOYSA-N 0 2 346.387 3.358 10 5 EGBELN O=[N+]([O-])c1ccc(-c2nc(COCc3ccccc3)no2)cc1O ZINC000445229590 458029572 /nfs/dbraw/zinc/02/95/72/458029572.db2.gz BVRYJQHFBYVWKG-UHFFFAOYSA-N 0 2 327.296 3.067 10 5 EGBELN Cn1nc(-c2ccsc2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436821937 458388617 /nfs/dbraw/zinc/38/86/17/458388617.db2.gz MYUYJTUZWPESSK-UHFFFAOYSA-N 0 2 344.352 3.015 10 5 EGBELN CCO[C@H]1C[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C12CCCCC2 ZINC000377103430 458463166 /nfs/dbraw/zinc/46/31/66/458463166.db2.gz MXEIKWAVOPOTLG-CVEARBPZSA-N 0 2 348.399 3.158 10 5 EGBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N(Cc1ccccc1F)CC1CC1 ZINC000598251969 459840358 /nfs/dbraw/zinc/84/03/58/459840358.db2.gz PPAYPNYODCEFQR-UHFFFAOYSA-N 0 2 344.342 3.492 10 5 EGBELN CC(C)(C)Oc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)n1 ZINC000599713241 460319109 /nfs/dbraw/zinc/31/91/09/460319109.db2.gz HFGBELCRDXKDLU-UHFFFAOYSA-N 0 2 331.328 3.125 10 5 EGBELN C[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000280935727 275507996 /nfs/dbraw/zinc/50/79/96/275507996.db2.gz KUIXAIBVUBFEKQ-LBPRGKRZSA-N 0 2 328.368 3.397 10 5 EGBELN CC(C)C1(c2ccccc2)CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000412806281 309003656 /nfs/dbraw/zinc/00/36/56/309003656.db2.gz KXKKZKWUNKIRMI-UHFFFAOYSA-N 0 2 340.379 3.350 10 5 EGBELN Cc1ccc(CC(C)(C)NC(=O)c2cccc(O)c2[N+](=O)[O-])cc1 ZINC000416277724 309167263 /nfs/dbraw/zinc/16/72/63/309167263.db2.gz PHJSXONKRBASTK-UHFFFAOYSA-N 0 2 328.368 3.360 10 5 EGBELN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc2cccnc21 ZINC000436866742 309778488 /nfs/dbraw/zinc/77/84/88/309778488.db2.gz YQUFENXBFKCNQS-UHFFFAOYSA-N 0 2 339.307 3.110 10 5 EGBELN Cc1cccc2[nH]cc(CCNC(=O)c3cc([N+](=O)[O-])ccc3O)c21 ZINC000436961044 309783167 /nfs/dbraw/zinc/78/31/67/309783167.db2.gz AAWUUVHHPUNFQS-UHFFFAOYSA-N 0 2 339.351 3.063 10 5 EGBELN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(C3CC3)n2)c1C ZINC000451035738 310157038 /nfs/dbraw/zinc/15/70/38/310157038.db2.gz CFMZRDVMCOJLSR-UHFFFAOYSA-N 0 2 347.396 3.285 10 5 EGBELN CCc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 ZINC000055547449 453994269 /nfs/dbraw/zinc/99/42/69/453994269.db2.gz OLSVPRSZIKFZLB-UHFFFAOYSA-N 0 2 326.399 3.328 10 5 EGBELN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cncc3ccccc32)s1 ZINC000534671935 313992759 /nfs/dbraw/zinc/99/27/59/313992759.db2.gz IXHVDRLUOSZREG-UHFFFAOYSA-N 0 2 335.366 3.005 10 5 EGBELN O=C(NCCCc1ccc(Cl)cc1)c1cccc(O)c1[N+](=O)[O-] ZINC000538832282 314278675 /nfs/dbraw/zinc/27/86/75/314278675.db2.gz CHSHHWSSPGOAQV-UHFFFAOYSA-N 0 2 334.759 3.316 10 5 EGBELN CC(C)(CNC(=O)c1cccc(O)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000539446698 314314796 /nfs/dbraw/zinc/31/47/96/314314796.db2.gz NLLOLMNUAPFGBU-UHFFFAOYSA-N 0 2 332.331 3.147 10 5 EGBELN Cc1cc(NS(=O)(=O)c2c(F)cccc2Cl)ccc1[N+](=O)[O-] ZINC000153546801 454805267 /nfs/dbraw/zinc/80/52/67/454805267.db2.gz CKJVOYDWJNXJSK-UHFFFAOYSA-N 0 2 344.751 3.497 10 5 EGBELN CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)C12CCCC2 ZINC000157109283 455165691 /nfs/dbraw/zinc/16/56/91/455165691.db2.gz IHNWPLXDFCQJQG-HZPDHXFCSA-N 0 2 348.399 3.110 10 5 EGBELN Cc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nn1-c1ccccc1 ZINC000183911922 455338051 /nfs/dbraw/zinc/33/80/51/455338051.db2.gz ZHBJNIYVUKTTML-UHFFFAOYSA-N 0 2 338.323 3.047 10 5 EGBELN COc1ccc(CC[C@H](C)NC(=O)c2cccc(O)c2[N+](=O)[O-])cc1 ZINC000280721723 456038288 /nfs/dbraw/zinc/03/82/88/456038288.db2.gz HJGUYBNIWZAOQF-LBPRGKRZSA-N 0 2 344.367 3.060 10 5 EGBELN C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000353698046 456860590 /nfs/dbraw/zinc/86/05/90/456860590.db2.gz KOIMLHFHKGCBAK-DZGCQCFKSA-N 0 2 340.379 3.394 10 5 EGBELN CCO[C@H]1C[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1(CC)CC ZINC000354530461 457273309 /nfs/dbraw/zinc/27/33/09/457273309.db2.gz HGMIBZBMIRXXSN-CABCVRRESA-N 0 2 336.388 3.014 10 5 EGBELN O=C(N[C@H](c1ccccc1)c1ccncc1)c1cccc(O)c1[N+](=O)[O-] ZINC000374006964 457436428 /nfs/dbraw/zinc/43/64/28/457436428.db2.gz ZATPPHLBVDRGIC-QGZVFWFLSA-N 0 2 349.346 3.215 10 5 EGBELN CC(F)(F)c1ccc(CNC(=O)c2cccc(O)c2[N+](=O)[O-])cc1 ZINC000352555698 457464812 /nfs/dbraw/zinc/46/48/12/457464812.db2.gz PZYIJKGUOLCAEF-UHFFFAOYSA-N 0 2 336.294 3.342 10 5 EGBELN Cc1cc(S(=O)(=O)Nc2scnc2C2CC2)ccc1[N+](=O)[O-] ZINC000342774609 457515935 /nfs/dbraw/zinc/51/59/35/457515935.db2.gz FTZNPNWOPPZSHZ-UHFFFAOYSA-N 0 2 339.398 3.038 10 5 EGBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@H](Cc2ccccc2)C1 ZINC000370476197 457657350 /nfs/dbraw/zinc/65/73/50/457657350.db2.gz HLQLBDNDPXKBBJ-CQSZACIVSA-N 0 2 326.352 3.005 10 5 EGBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@@](F)(c2ccccc2)C1 ZINC000367274307 457941225 /nfs/dbraw/zinc/94/12/25/457941225.db2.gz LILPQLNDAOHGPW-KRWDZBQOSA-N 0 2 330.315 3.011 10 5 EGBELN O=C(N[C@H]1C[C@H](c2ccccc2F)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000375898506 458114475 /nfs/dbraw/zinc/11/44/75/458114475.db2.gz UEEJAICPXUKESY-XYPYZODXSA-N 0 2 330.315 3.116 10 5 EGBELN C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436562003 458333012 /nfs/dbraw/zinc/33/30/12/458333012.db2.gz ICMXFYFCUPDBQC-KCJUWKMLSA-N 0 2 332.278 3.103 10 5 EGBELN C[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000593333484 459848823 /nfs/dbraw/zinc/84/88/23/459848823.db2.gz SGMUYZNHVSPTCH-QMTHXVAHSA-N 0 2 347.396 3.156 10 5 EGBELN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000593333484 459848830 /nfs/dbraw/zinc/84/88/30/459848830.db2.gz SGMUYZNHVSPTCH-QMTHXVAHSA-N 0 2 347.396 3.156 10 5 EGBELN CC1(C)C[C@]1(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000598570933 459943782 /nfs/dbraw/zinc/94/37/82/459943782.db2.gz LXDCUOOLDSGWKK-IBGZPJMESA-N 0 2 340.379 3.398 10 5 EGBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC2(CCC2)[C@@H]1c1ccncc1 ZINC000598575828 459946042 /nfs/dbraw/zinc/94/60/42/459946042.db2.gz UASVBTJLXKGMCH-INIZCTEOSA-N 0 2 339.351 3.063 10 5 EGBELN C[C@]1(c2cccc(F)c2)CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000593761916 459977581 /nfs/dbraw/zinc/97/75/81/459977581.db2.gz PGRFVKPYTSWRHV-SFHVURJKSA-N 0 2 344.342 3.243 10 5 EGBELN C[C@@]1(c2cccc(F)c2)CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000593761283 459977978 /nfs/dbraw/zinc/97/79/78/459977978.db2.gz JRIHZCSPKMRVPH-GOSISDBHSA-N 0 2 344.342 3.243 10 5 EGBELN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001138013077 1377665014 /nfs/dbraw/zinc/66/50/14/1377665014.db2.gz DPFBXUBACHKWKQ-UHFFFAOYSA-N 0 2 331.284 3.078 10 5 EGBELN COc1cccc(C(F)(F)C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC001295972260 1382888405 /nfs/dbraw/zinc/88/84/05/1382888405.db2.gz MAMDIJQAYAVDHY-UHFFFAOYSA-N 0 2 338.266 3.040 10 5 EGBELN Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001353729186 1392077828 /nfs/dbraw/zinc/07/78/28/1392077828.db2.gz MOBVCHDGTBNWTG-ZIAGYGMSSA-N 0 2 342.399 3.082 10 5 EGBELN O=C(C[C@H]1CCOc2ccccc21)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183910197 144081909 /nfs/dbraw/zinc/08/19/09/144081909.db2.gz OMLWVRYJTHBWCR-LLVKDONJSA-N 0 2 328.324 3.195 10 5 EGBELN Cc1cc2cc(CNC(=O)c3cccc(O)c3[N+](=O)[O-])ccc2[nH]1 ZINC000344003799 164081077 /nfs/dbraw/zinc/08/10/77/164081077.db2.gz CCWUFXVKJABJKX-UHFFFAOYSA-N 0 2 325.324 3.020 10 5 EGBELN O=C(NCC1(c2cccc(Cl)c2)CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000353939085 165926764 /nfs/dbraw/zinc/92/67/64/165926764.db2.gz MNLKGYGLOGZVKM-UHFFFAOYSA-N 0 2 346.770 3.415 10 5 EGBELN C[C@]1(c2ccc(F)cc2)CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000367642672 168253496 /nfs/dbraw/zinc/25/34/96/168253496.db2.gz JFOKLNMNGROTHA-SFHVURJKSA-N 0 2 344.342 3.243 10 5 EGBELN CCC(CC)[C@H]1C[C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])CCO1 ZINC000281083690 275520556 /nfs/dbraw/zinc/52/05/56/275520556.db2.gz GGZKAOHGJOZWTR-IUODEOHRSA-N 0 2 336.388 3.014 10 5 EGBELN Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])CCC2 ZINC000291651231 276671521 /nfs/dbraw/zinc/67/15/21/276671521.db2.gz APSKQKYLDKVWBO-HNNXBMFYSA-N 0 2 326.352 3.416 10 5 EGBELN Cc1cc(S(=O)(=O)Nc2cc(C3CC3)ccn2)c(C)cc1[N+](=O)[O-] ZINC000414456268 309081200 /nfs/dbraw/zinc/08/12/00/309081200.db2.gz UHSBIKZXWAFHCG-UHFFFAOYSA-N 0 2 347.396 3.285 10 5 EGBELN Cc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nn1[C@@H](C)C1CC1 ZINC000436616015 309764850 /nfs/dbraw/zinc/76/48/50/309764850.db2.gz CTTCBWNPGVJKPN-JTQLQIEISA-N 0 2 330.344 3.029 10 5 EGBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cnc(-c2cccnc2)s1 ZINC000548519022 315021600 /nfs/dbraw/zinc/02/16/00/315021600.db2.gz WZSPOHIERLCNCU-UHFFFAOYSA-N 0 2 342.336 3.071 10 5 EGBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cnc(-c2ccccc2)nc1 ZINC000183901336 323634663 /nfs/dbraw/zinc/63/46/63/323634663.db2.gz SNRNZIGFIKWRIS-UHFFFAOYSA-N 0 2 336.307 3.010 10 5 EGBELN O=C(C[C@H]1CCOc2ccccc21)Nc1cc([N+](=O)[O-])ccc1O ZINC000089540986 454161070 /nfs/dbraw/zinc/16/10/70/454161070.db2.gz AZKGNTUZRJONRI-LLVKDONJSA-N 0 2 328.324 3.195 10 5 EGBELN CC(C)(C)c1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000098117619 454457569 /nfs/dbraw/zinc/45/75/69/454457569.db2.gz OEOXPJQPDYMVIK-UHFFFAOYSA-N 0 2 347.443 3.211 10 5 EGBELN Cn1c(=O)c(Sc2ccc([N+](=O)[O-])cc2)c(O)c2ccccc21 ZINC000103463133 454558002 /nfs/dbraw/zinc/55/80/02/454558002.db2.gz KZBVCFVHWALAGW-UHFFFAOYSA-N 0 2 328.349 3.304 10 5 EGBELN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000137281218 454774430 /nfs/dbraw/zinc/77/44/30/454774430.db2.gz BRMMJHWPIGKOBX-SNVBAGLBSA-N 0 2 346.387 3.051 10 5 EGBELN CCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc([N+](=O)[O-])c(O)c1 ZINC000253428423 455846390 /nfs/dbraw/zinc/84/63/90/455846390.db2.gz AMVREWCCJCCWSO-CYBMUJFWSA-N 0 2 345.380 3.450 10 5 EGBELN CC(C)(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000352992219 456433619 /nfs/dbraw/zinc/43/36/19/456433619.db2.gz WZXGBFFJGXQSRM-UHFFFAOYSA-N 0 2 332.331 3.147 10 5 EGBELN Cc1ccc(C[C@H](C)NC(=O)c2cc(O)ccc2[N+](=O)[O-])c(C)c1 ZINC000353366835 456651566 /nfs/dbraw/zinc/65/15/66/456651566.db2.gz FGOTWHQRWNRJKY-ZDUSSCGKSA-N 0 2 328.368 3.278 10 5 EGBELN O=C(Nc1ccc(F)cc1OC(F)F)c1cccc(O)c1[N+](=O)[O-] ZINC000339278081 457036069 /nfs/dbraw/zinc/03/60/69/457036069.db2.gz GFNVSHZPJGRQRQ-UHFFFAOYSA-N 0 2 342.229 3.293 10 5 EGBELN COc1ccc(C)cc1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436955636 458412421 /nfs/dbraw/zinc/41/24/21/458412421.db2.gz HLHIYNLGCWBHMJ-NSHDSACASA-N 0 2 330.340 3.108 10 5 EGBELN C[C@]1(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])CCCc2ccccc21 ZINC000583372868 459527486 /nfs/dbraw/zinc/52/74/86/459527486.db2.gz LYXUXVJSUNKUCD-LJQANCHMSA-N 0 2 340.379 3.324 10 5 EGBELN Cc1cccc(C2(NC(=O)c3cccc(O)c3[N+](=O)[O-])CCC2)c1 ZINC000592835220 459701630 /nfs/dbraw/zinc/70/16/30/459701630.db2.gz KVMFLJZTCHKQGA-UHFFFAOYSA-N 0 2 326.352 3.418 10 5 EGBELN CCOc1ccc([C@H](C)NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000585886163 459856672 /nfs/dbraw/zinc/85/66/72/459856672.db2.gz BWGDYYHLSFJXKR-NSHDSACASA-N 0 2 330.340 3.190 10 5 EGBELN CC[C@@H](CCc1ccccc1)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000600252530 460459228 /nfs/dbraw/zinc/45/92/28/460459228.db2.gz IVILLOPPCKJCRN-AWEZNQCLSA-N 0 2 328.368 3.442 10 5 EGBELN CCC(CC)(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])C(F)(F)F ZINC000871263933 1296303359 /nfs/dbraw/zinc/30/33/59/1296303359.db2.gz HQEYGTFXJVNPEX-UHFFFAOYSA-N 0 2 334.294 3.399 10 5 EGBELN Cc1nsc(C)c1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000585086344 1298026674 /nfs/dbraw/zinc/02/66/74/1298026674.db2.gz GDXXNJKRJXWKGC-UHFFFAOYSA-N 0 2 341.414 3.086 10 5 EGBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc2c(ccnc2Cl)o1 ZINC001295970470 1382887364 /nfs/dbraw/zinc/88/73/64/1382887364.db2.gz GGQYIBYLJRLTSN-UHFFFAOYSA-N 0 2 333.687 3.347 10 5 EGBELN Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000021028371 212202358 /nfs/dbraw/zinc/20/23/58/212202358.db2.gz KSFNVYXPVLXAFH-LBPRGKRZSA-N 0 2 330.340 3.323 10 5 EGBELN CCO[C@@H]1C[C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])C12CCCCC2 ZINC000373831088 286380895 /nfs/dbraw/zinc/38/08/95/286380895.db2.gz JZVYNJCZOXGMBH-LSDHHAIUSA-N 0 2 348.399 3.158 10 5 EGBELN CC[C@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000343745495 164024418 /nfs/dbraw/zinc/02/44/18/164024418.db2.gz ZOAZFVSCTRVVNW-GFCCVEGCSA-N 0 2 348.330 3.027 10 5 EGBELN CN(Cc1cc2ccccc2o1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000343765395 164029848 /nfs/dbraw/zinc/02/98/48/164029848.db2.gz NRHBANHTKJEGQO-UHFFFAOYSA-N 0 2 326.308 3.319 10 5 EGBELN C/C(=C/c1ccccc1)CN(C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000355306707 166159522 /nfs/dbraw/zinc/15/95/22/166159522.db2.gz AZLIZVTXLKFJSO-RAXLEYEMSA-N 0 2 326.352 3.476 10 5 EGBELN O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000355681261 166282431 /nfs/dbraw/zinc/28/24/31/166282431.db2.gz KALJREKWHIKPCT-GXTWGEPZSA-N 0 2 332.743 3.240 10 5 EGBELN O=C(NCc1ccc(C2CC2)cc1F)c1cc(O)ccc1[N+](=O)[O-] ZINC000358919052 167005652 /nfs/dbraw/zinc/00/56/52/167005652.db2.gz LYXHZBGKRRTBOY-UHFFFAOYSA-N 0 2 330.315 3.247 10 5 EGBELN CC(C)(C)n1nc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1C1CC1 ZINC000183909593 278585252 /nfs/dbraw/zinc/58/52/52/278585252.db2.gz USLBGVPFLSEYTF-UHFFFAOYSA-N 0 2 344.371 3.382 10 5 EGBELN CC1(C)C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])c2ccccc21 ZINC000354374534 281354406 /nfs/dbraw/zinc/35/44/06/281354406.db2.gz HKAMPJJHNKFYSH-HNNXBMFYSA-N 0 2 326.352 3.453 10 5 EGBELN C[C@H]1CCc2nc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])sc2C1 ZINC000348653924 300090687 /nfs/dbraw/zinc/09/06/87/300090687.db2.gz MADKXQKQIWVKMK-QMMMGPOBSA-N 0 2 333.369 3.134 10 5 EGBELN Cc1cc(C)nc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)c1 ZINC000414443452 309080441 /nfs/dbraw/zinc/08/04/41/309080441.db2.gz NIBUJMHPQOKEDC-UHFFFAOYSA-N 0 2 335.385 3.024 10 5 EGBELN C[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1OCCc2sccc21 ZINC000293517311 308138138 /nfs/dbraw/zinc/13/81/38/308138138.db2.gz PZGGEVNAKLBUBJ-RFAUZJTJSA-N 0 2 348.380 3.251 10 5 EGBELN C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000295859034 308367963 /nfs/dbraw/zinc/36/79/63/308367963.db2.gz DWOJLRMYADMGPI-PSASIEDQSA-N 0 2 332.278 3.103 10 5 EGBELN Cn1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c2cc(F)ccc21 ZINC000435807481 309741130 /nfs/dbraw/zinc/74/11/30/309741130.db2.gz IZQPXNPIGUFSMR-UHFFFAOYSA-N 0 2 329.287 3.184 10 5 EGBELN CC[C@@]1(C)Oc2ccc(NC(=O)c3cccc(O)c3[N+](=O)[O-])cc2O1 ZINC000538368034 314242162 /nfs/dbraw/zinc/24/21/62/314242162.db2.gz VHUKGTYSCZTZOA-KRWDZBQOSA-N 0 2 344.323 3.450 10 5 EGBELN O=C(Nc1nc2c(s1)CCCCC2)c1cc(O)ccc1[N+](=O)[O-] ZINC000548741605 315041490 /nfs/dbraw/zinc/04/14/90/315041490.db2.gz YJKLXZMUYGUJIL-UHFFFAOYSA-N 0 2 333.369 3.278 10 5 EGBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000183919621 323635134 /nfs/dbraw/zinc/63/51/34/323635134.db2.gz BWXWQDCLCJZUFS-MNOVXSKESA-N 0 2 334.278 3.321 10 5 EGBELN CC(C)Oc1ccc(=NCc2ccc(C(C)C)c([N+](=O)[O-])c2)[nH]n1 ZINC000580807050 325296543 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CCO[C@H]1C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1(CC)CC ZINC000354530463 457273076 /nfs/dbraw/zinc/27/30/76/457273076.db2.gz HGMIBZBMIRXXSN-GJZGRUSLSA-N 0 2 336.388 3.014 10 5 EGBELN O=C(N[C@@H](c1ccccc1)c1ccncc1)c1cccc(O)c1[N+](=O)[O-] ZINC000374006963 457436641 /nfs/dbraw/zinc/43/66/41/457436641.db2.gz ZATPPHLBVDRGIC-KRWDZBQOSA-N 0 2 349.346 3.215 10 5 EGBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC[C@H]1Cc1ccccc1 ZINC000374030323 457447658 /nfs/dbraw/zinc/44/76/58/457447658.db2.gz AQQWQQYRVKBKOJ-AWEZNQCLSA-N 0 2 326.352 3.148 10 5 EGBELN O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2cccc3ccccc32)c1 ZINC000392331587 457458069 /nfs/dbraw/zinc/45/80/69/457458069.db2.gz ZHBHROUGBPMOTK-UHFFFAOYSA-N 0 2 344.348 3.254 10 5 EGBELN CCc1cccc2c1OCC[C@@H]2NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000370728829 457708842 /nfs/dbraw/zinc/70/88/42/457708842.db2.gz DPNKMSHAQKGGPP-HNNXBMFYSA-N 0 2 342.351 3.116 10 5 EGBELN CC1(C)[C@@H](CNC(=O)c2cccc(O)c2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000457977181 457889118 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CCCn1ncc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1C1CC1 ZINC000166115986 528882553 /nfs/dbraw/zinc/88/25/53/528882553.db2.gz QPRFLRCWYVXYDC-UHFFFAOYSA-N 0 2 330.344 3.037 10 5 EGBELN CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)Oc1ccccc1C ZINC001148294611 1379146939 /nfs/dbraw/zinc/14/69/39/1379146939.db2.gz KTOBKMRPODIIRP-CQSZACIVSA-N 0 2 344.367 3.196 10 5 EGBELN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1cccc(Cl)c1O ZINC001351887496 1391710608 /nfs/dbraw/zinc/71/06/08/1391710608.db2.gz LDYHJASNUGFYOK-UHFFFAOYSA-N 0 2 328.658 3.484 10 5 EGBELN Cc1cccnc1Nc1ncnc(Nc2ncccc2C)c1[N+](=O)[O-] ZINC000040625693 213360720 /nfs/dbraw/zinc/36/07/20/213360720.db2.gz SMIMHDRLRUSFNP-UHFFFAOYSA-N 0 2 337.343 3.279 10 5 EGBELN O=C(NCc1cccc(-c2cccnc2)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000372192424 168709226 /nfs/dbraw/zinc/70/92/26/168709226.db2.gz MGONRPDOCYJJJD-UHFFFAOYSA-N 0 2 349.346 3.292 10 5 EGBELN O=C(NCc1ccccc1OC1CCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000118528864 152141347 /nfs/dbraw/zinc/14/13/47/152141347.db2.gz 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ZINC000350660490 324112859 /nfs/dbraw/zinc/11/28/59/324112859.db2.gz WHVJWRMDTWWWHR-UHFFFAOYSA-N 0 2 333.344 3.098 10 5 EGBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000183919654 455339291 /nfs/dbraw/zinc/33/92/91/455339291.db2.gz BWXWQDCLCJZUFS-GHMZBOCLSA-N 0 2 334.278 3.321 10 5 EGBELN Cc1nc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000088545571 454111538 /nfs/dbraw/zinc/11/15/38/454111538.db2.gz OYGBLIRZVMFVRV-UHFFFAOYSA-N 0 2 347.805 3.122 10 5 EGBELN COc1cccc([C@H]2C[C@@H]2C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000089531858 454160471 /nfs/dbraw/zinc/16/04/71/454160471.db2.gz GNWKKRJHNJIBOH-KGLIPLIRSA-N 0 2 328.324 3.051 10 5 EGBELN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000137319724 454776676 /nfs/dbraw/zinc/77/66/76/454776676.db2.gz BMEGJYXYOZVLCI-SNVBAGLBSA-N 0 2 346.387 3.051 10 5 EGBELN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000179457253 455049514 /nfs/dbraw/zinc/04/95/14/455049514.db2.gz AGPYYUDETUUEAZ-AWEZNQCLSA-N 0 2 344.342 3.287 10 5 EGBELN Cc1ccc(-n2cccn2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000191842590 455524848 /nfs/dbraw/zinc/52/48/48/455524848.db2.gz AHWNYIDZWQIORD-UHFFFAOYSA-N 0 2 338.323 3.047 10 5 EGBELN CCO[C@H]1C[C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])C1(CC)CC ZINC000280996785 456104533 /nfs/dbraw/zinc/10/45/33/456104533.db2.gz QVQUOMNZJCFKDO-KBPBESRZSA-N 0 2 336.388 3.014 10 5 EGBELN Cc1ccc(SCCNC(=O)c2cccc(O)c2[N+](=O)[O-])cc1 ZINC000343028150 456363020 /nfs/dbraw/zinc/36/30/20/456363020.db2.gz JISSNKFVFRMFFQ-UHFFFAOYSA-N 0 2 332.381 3.131 10 5 EGBELN CCCCCn1nc(C)cc1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000353563218 456762561 /nfs/dbraw/zinc/76/25/61/456762561.db2.gz MOFGYSBTAXZPLT-UHFFFAOYSA-N 0 2 332.360 3.248 10 5 EGBELN CCc1ccc([C@@H]2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C2)cc1 ZINC000348859867 456884420 /nfs/dbraw/zinc/88/44/20/456884420.db2.gz RTWZPXSMIQPQQW-OAHLLOKOSA-N 0 2 340.379 3.493 10 5 EGBELN O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1[nH+]ccn1-c1ccccc1 ZINC000358656685 458133981 /nfs/dbraw/zinc/13/39/81/458133981.db2.gz WRRRSLBLQBTQPT-SREVYHEPSA-N 0 2 336.307 3.044 10 5 EGBELN COc1ccc2[nH]c(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cc2c1 ZINC000590335073 459117661 /nfs/dbraw/zinc/11/76/61/459117661.db2.gz APLJCUMUOVEKJP-UHFFFAOYSA-N 0 2 327.296 3.043 10 5 EGBELN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(C3CCC3)cn2)c1 ZINC000563135677 459721999 /nfs/dbraw/zinc/72/19/99/459721999.db2.gz SQKWMNDUQXQECI-UHFFFAOYSA-N 0 2 333.369 3.058 10 5 EGBELN C[C@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])CCc2ccc(F)cc21 ZINC000593885856 460010424 /nfs/dbraw/zinc/01/04/24/460010424.db2.gz CWQYZRGFCKOQBD-NSHDSACASA-N 0 2 344.342 3.242 10 5 EGBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)C1(c2ccc(F)cc2)CCC1 ZINC000614274102 460077781 /nfs/dbraw/zinc/07/77/81/460077781.db2.gz WPODAVXZECRSGK-UHFFFAOYSA-N 0 2 330.315 3.500 10 5 EGBELN COc1cc(NC(=O)c2cccc(O)c2[N+](=O)[O-])cc2cccnc21 ZINC000341175479 536852609 /nfs/dbraw/zinc/85/26/09/536852609.db2.gz UAVJNFAOFCRMBO-UHFFFAOYSA-N 0 2 339.307 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COc1ccc(CCCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000155941247 455064480 /nfs/dbraw/zinc/06/44/80/455064480.db2.gz SVPYHPWMXPKGEM-UHFFFAOYSA-N 0 2 330.340 3.270 10 5 EGBELN CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280782150 456051934 /nfs/dbraw/zinc/05/19/34/456051934.db2.gz COHAOIRDQQNDRD-HNNXBMFYSA-N 0 2 346.358 3.437 10 5 EGBELN CCO[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])C1(CC)CC ZINC000280996806 456104448 /nfs/dbraw/zinc/10/44/48/456104448.db2.gz QVQUOMNZJCFKDO-ZIAGYGMSSA-N 0 2 336.388 3.014 10 5 EGBELN CN(Cc1cc(Cl)ccc1F)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000434339707 457979169 /nfs/dbraw/zinc/97/91/69/457979169.db2.gz ARYCHVQVSWPENS-UHFFFAOYSA-N 0 2 338.722 3.365 10 5 EGBELN C[C@](Cc1ccccc1)(NC(=O)c1cccc(O)c1[N+](=O)[O-])C1CC1 ZINC000457045742 458846693 /nfs/dbraw/zinc/84/66/93/458846693.db2.gz OCYRHVHUGTZJHY-LJQANCHMSA-N 0 2 340.379 3.442 10 5 EGBELN CN(C[C@@H]1CCc2ccccc21)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000598469195 459905780 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O=C(Nc1ccc([C@@H]2CCOC2)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000359076115 167060077 /nfs/dbraw/zinc/06/00/77/167060077.db2.gz KSAKCOSTSYUITP-GFCCVEGCSA-N 0 2 328.324 3.057 10 5 EGBELN Cc1ccc(C[C@H](C)N(C)C(=O)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000182036686 275209634 /nfs/dbraw/zinc/20/96/34/275209634.db2.gz QKOVPJHWGDTFDC-ZDUSSCGKSA-N 0 2 328.368 3.312 10 5 EGBELN CCC(CC)c1nnc(NC(=O)c2cccc(O)c2[N+](=O)[O-])s1 ZINC000280834704 275499684 /nfs/dbraw/zinc/49/96/84/275499684.db2.gz UCHVLQVPUVNGDL-UHFFFAOYSA-N 0 2 336.373 3.308 10 5 EGBELN Cc1cc(C)cc(C[C@@H](C)NC(=O)c2cccc(O)c2[N+](=O)[O-])c1 ZINC000280947723 275508841 /nfs/dbraw/zinc/50/88/41/275508841.db2.gz MBYZMDFNBSJOHB-CYBMUJFWSA-N 0 2 328.368 3.278 10 5 EGBELN O=C(NCC1C2CC3CC(C2)CC1C3)c1cc(O)ccc1[N+](=O)[O-] ZINC000502890703 311975815 /nfs/dbraw/zinc/97/58/15/311975815.db2.gz XMQBBWZCFGSSNI-UHFFFAOYSA-N 0 2 330.384 3.103 10 5 EGBELN O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000237824374 455223386 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CCCOc1cccc(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000166180309 454908244 /nfs/dbraw/zinc/90/82/44/454908244.db2.gz GITVSEKAXNLSQI-UHFFFAOYSA-N 0 2 330.340 3.270 10 5 EGBELN CCOc1ccccc1CCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166166783 454908260 /nfs/dbraw/zinc/90/82/60/454908260.db2.gz WPNAVNGGXLCRCH-UHFFFAOYSA-N 0 2 330.340 3.270 10 5 EGBELN O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1c[nH+]c2ccc(Cl)cn12 ZINC000348278407 456592336 /nfs/dbraw/zinc/59/23/36/456592336.db2.gz LUFJZVGZIQFAHQ-NSCUHMNNSA-N 0 2 344.714 3.160 10 5 EGBELN O=C(Nc1ccccc1OCC1CC1)c1cccc(O)c1[N+](=O)[O-] ZINC000343459737 456635247 /nfs/dbraw/zinc/63/52/47/456635247.db2.gz ATOHOUJMBOCGTO-UHFFFAOYSA-N 0 2 328.324 3.342 10 5 EGBELN C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000353698049 456860671 /nfs/dbraw/zinc/86/06/71/456860671.db2.gz KOIMLHFHKGCBAK-ZFWWWQNUSA-N 0 2 340.379 3.394 10 5 EGBELN O=C(NCC1(Cc2ccccc2)CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000354215583 457136353 /nfs/dbraw/zinc/13/63/53/457136353.db2.gz FFXDOMNONFBXDE-UHFFFAOYSA-N 0 2 326.352 3.053 10 5 EGBELN O=C(N[C@@H]1CCc2c1cccc2Cl)c1cc(O)ccc1[N+](=O)[O-] ZINC000351643804 457307567 /nfs/dbraw/zinc/30/75/67/457307567.db2.gz IQVWPWDZGKMEQQ-CQSZACIVSA-N 0 2 332.743 3.371 10 5 EGBELN CC(F)(F)c1ccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000352597312 457492773 /nfs/dbraw/zinc/49/27/73/457492773.db2.gz ILRXBUJGPFMRTO-UHFFFAOYSA-N 0 2 336.294 3.342 10 5 EGBELN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc2ncsc2c1 ZINC000436682020 458359522 /nfs/dbraw/zinc/35/95/22/458359522.db2.gz OSXDXTIOKCEPMX-VIFPVBQESA-N 0 2 343.364 3.401 10 5 EGBELN C[C@@H](NC(=O)c1cc(F)c(F)c(O)c1F)c1ccccc1[N+](=O)[O-] ZINC000543565932 459670050 /nfs/dbraw/zinc/67/00/50/459670050.db2.gz PXWQXRKXDHLMAC-SSDOTTSWSA-N 0 2 340.257 3.209 10 5 EGBELN Cc1ccc(CN(CC2CC2)C(=O)c2cccc(O)c2[N+](=O)[O-])cn1 ZINC000592831092 459700324 /nfs/dbraw/zinc/70/03/24/459700324.db2.gz LCZWXRVFOKPDOY-UHFFFAOYSA-N 0 2 341.367 3.056 10 5 EGBELN CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C12CCC2 ZINC000598297145 459852696 /nfs/dbraw/zinc/85/26/96/459852696.db2.gz PKFRQDAWLCRMCI-CABCVRRESA-N 0 2 348.399 3.157 10 5 EGBELN CCOc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000611534526 460390290 /nfs/dbraw/zinc/39/02/90/460390290.db2.gz PZIFWDPCVQJKPH-LLVKDONJSA-N 0 2 330.340 3.190 10 5 EGBELN CC(C)n1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c2ccccc21 ZINC000004582252 210226134 /nfs/dbraw/zinc/22/61/34/210226134.db2.gz ZTEHADHCANANAH-BQYQJAHWSA-N 0 2 340.339 3.090 10 5 EGBELN CC(C)=CCc1c(O)cc(O)c2c(=O)c3c(O)cc(O)cc3oc12 ZINC000101775682 206329303 /nfs/dbraw/zinc/32/93/03/206329303.db2.gz ORJTWCCUDWJNOD-UHFFFAOYSA-N 0 2 328.320 3.277 10 5 biogenic EGBELN COc1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc2cccnc21 ZINC000341201759 141137860 /nfs/dbraw/zinc/13/78/60/141137860.db2.gz YULYVNKBIKXEAX-UHFFFAOYSA-N 0 2 339.307 3.110 10 5 EGBELN O=C(NCc1cccc(-c2ccccn2)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000120977442 152315674 /nfs/dbraw/zinc/31/56/74/152315674.db2.gz GFBGZFCUQUHBCC-UHFFFAOYSA-N 0 2 349.346 3.292 10 5 EGBELN C/C(=C\c1ccccc1)CN(C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000355306705 166159148 /nfs/dbraw/zinc/15/91/48/166159148.db2.gz AZLIZVTXLKFJSO-JLHYYAGUSA-N 0 2 326.352 3.476 10 5 EGBELN Cc1ccccc1[C@@]1(F)CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000355842798 166325390 /nfs/dbraw/zinc/32/53/90/166325390.db2.gz FCNAXTGNJOGHDD-GOSISDBHSA-N 0 2 344.342 3.320 10 5 EGBELN C[C@]1(c2ccc(F)cc2)CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000366827863 168145226 /nfs/dbraw/zinc/14/52/26/168145226.db2.gz NYAKCYOMONULHY-SFHVURJKSA-N 0 2 344.342 3.243 10 5 EGBELN Cc1ccc(C)c(S(=O)(=O)Nc2ccc3cc[nH]c3c2)c1[N+](=O)[O-] ZINC000193472473 266035665 /nfs/dbraw/zinc/03/56/65/266035665.db2.gz MMGNUGRGAUGRRA-UHFFFAOYSA-N 0 2 345.380 3.494 10 5 EGBELN CC1(C)Cc2cc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])ccc2O1 ZINC000354076958 281370469 /nfs/dbraw/zinc/37/04/69/281370469.db2.gz AYBJCAZFYPBCSG-UHFFFAOYSA-N 0 2 328.324 3.266 10 5 EGBELN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cccc(C2CC2)n1 ZINC000451036007 310157033 /nfs/dbraw/zinc/15/70/33/310157033.db2.gz CXKQMIJHMQGACI-UHFFFAOYSA-N 0 2 347.396 3.285 10 5 EGBELN CCN(Cc1c[nH]c2ccccc12)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000189577870 455219442 /nfs/dbraw/zinc/21/94/42/455219442.db2.gz SHMGMZSTYYBBSZ-UHFFFAOYSA-N 0 2 339.351 3.444 10 5 EGBELN O=C(Cc1ccc(OC(F)F)cc1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183898283 455337282 /nfs/dbraw/zinc/33/72/82/455337282.db2.gz FIJUOMQGZFEDLN-UHFFFAOYSA-N 0 2 338.266 3.083 10 5 EGBELN Cc1cc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])s3)ccc2[nH]1 ZINC000063911891 454458873 /nfs/dbraw/zinc/45/88/73/454458873.db2.gz SHBIPHUXKYQCPX-UHFFFAOYSA-N 0 2 337.382 3.247 10 5 EGBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000092545871 454584388 /nfs/dbraw/zinc/58/43/88/454584388.db2.gz FSOLCSBZXAYKKD-UHFFFAOYSA-N 0 2 342.286 3.082 10 5 EGBELN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(C(C)C)cs1 ZINC000153586909 454810125 /nfs/dbraw/zinc/81/01/25/454810125.db2.gz UISAMBDWZBQNQV-UHFFFAOYSA-N 0 2 341.414 3.284 10 5 EGBELN CC[C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000166102531 454907350 /nfs/dbraw/zinc/90/73/50/454907350.db2.gz XNIDUJXPFPQQOG-AWEZNQCLSA-N 0 2 330.340 3.441 10 5 EGBELN CC(C)Oc1cccc(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000155940989 455064565 /nfs/dbraw/zinc/06/45/65/455064565.db2.gz KGSXZKHGCPFORQ-UHFFFAOYSA-N 0 2 330.340 3.269 10 5 EGBELN CCO[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)C12CCCC2 ZINC000157109132 455165469 /nfs/dbraw/zinc/16/54/69/455165469.db2.gz IHNWPLXDFCQJQG-HOTGVXAUSA-N 0 2 348.399 3.110 10 5 EGBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000184706258 455432232 /nfs/dbraw/zinc/43/22/32/455432232.db2.gz NFMPLOAYZNDASL-CQSZACIVSA-N 0 2 344.342 3.287 10 5 EGBELN C[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000280935724 456086580 /nfs/dbraw/zinc/08/65/80/456086580.db2.gz KUIXAIBVUBFEKQ-GFCCVEGCSA-N 0 2 328.368 3.397 10 5 EGBELN CCO[C@@H]1C[C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])C1(CC)CC ZINC000280996799 456104745 /nfs/dbraw/zinc/10/47/45/456104745.db2.gz QVQUOMNZJCFKDO-UONOGXRCSA-N 0 2 336.388 3.014 10 5 EGBELN Cc1ccccc1[C@@]1(F)CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000337643358 456450739 /nfs/dbraw/zinc/45/07/39/456450739.db2.gz GBCGYNLSKBRLSI-GOSISDBHSA-N 0 2 344.342 3.320 10 5 EGBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC[C@@H](c2ccccc2)C1 ZINC000348864746 456884609 /nfs/dbraw/zinc/88/46/09/456884609.db2.gz FQYBBKIODKWXPC-CQSZACIVSA-N 0 2 326.352 3.320 10 5 EGBELN O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000354011191 457006550 /nfs/dbraw/zinc/00/65/50/457006550.db2.gz RQDKAGADJKQEOS-VHSXEESVSA-N 0 2 346.305 3.399 10 5 EGBELN O=C(N[C@H]1CCSc2ccc(F)cc21)c1cccc(O)c1[N+](=O)[O-] ZINC000357991360 457735673 /nfs/dbraw/zinc/73/56/73/457735673.db2.gz IRQBZSXIWASCPP-LBPRGKRZSA-N 0 2 348.355 3.406 10 5 EGBELN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000456571941 458717492 /nfs/dbraw/zinc/71/74/92/458717492.db2.gz RVJQBAWFMXZSFK-HNNXBMFYSA-N 0 2 328.324 3.261 10 5 EGBELN CC(=O)Nc1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])ccc1Cl ZINC000351533794 534710968 /nfs/dbraw/zinc/71/09/68/534710968.db2.gz OPOYQUCJQVYRJE-UHFFFAOYSA-N 0 2 349.730 3.165 10 5 EGBELN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1c(F)cccc1[N+](=O)[O-] ZINC001124747995 1372727689 /nfs/dbraw/zinc/72/76/89/1372727689.db2.gz POLFAGHIODYREE-UHFFFAOYSA-N 0 2 341.201 3.173 10 5 EGBELN Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001354463309 1392145740 /nfs/dbraw/zinc/14/57/40/1392145740.db2.gz QCFSIECQNAMMLR-ZIAGYGMSSA-N 0 2 342.399 3.082 10 5 EGBELN C[C@@]1(c2ccccc2)CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000369597780 141551483 /nfs/dbraw/zinc/55/14/83/141551483.db2.gz QRNNEZZXXGXWIF-GOSISDBHSA-N 0 2 326.352 3.104 10 5 EGBELN C[C@@]1(c2ccccc2)CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000364005677 144383517 /nfs/dbraw/zinc/38/35/17/144383517.db2.gz CBAACDKIGNQYEG-GOSISDBHSA-N 0 2 326.352 3.104 10 5 EGBELN COc1ccc(CC[C@@H](C)NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000346345866 164372491 /nfs/dbraw/zinc/37/24/91/164372491.db2.gz YTHNJVIAGHOQSY-GFCCVEGCSA-N 0 2 344.367 3.060 10 5 EGBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@@H](c2ccccc2F)C1 ZINC000352382471 165374896 /nfs/dbraw/zinc/37/48/96/165374896.db2.gz FQNGQWNJSFYROS-LLVKDONJSA-N 0 2 330.315 3.069 10 5 EGBELN CSc1ccccc1CN(C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000355440487 166200729 /nfs/dbraw/zinc/20/07/29/166200729.db2.gz FFDJRMSWHQASNX-UHFFFAOYSA-N 0 2 332.381 3.295 10 5 EGBELN COc1ccc([C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])C2CC2)cc1 ZINC000359268662 167110846 /nfs/dbraw/zinc/11/08/46/167110846.db2.gz XESLKNPEOHACKM-INIZCTEOSA-N 0 2 342.351 3.190 10 5 EGBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@](F)(c2ccccc2)C1 ZINC000366913139 168156039 /nfs/dbraw/zinc/15/60/39/168156039.db2.gz RJJQDRVQISFKJG-QGZVFWFLSA-N 0 2 330.315 3.011 10 5 EGBELN Cc1ccc([C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])C2CC2)cc1 ZINC000280684773 275482562 /nfs/dbraw/zinc/48/25/62/275482562.db2.gz BDVWUFZALQTBNP-MRXNPFEDSA-N 0 2 326.352 3.490 10 5 EGBELN C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000295859048 308367974 /nfs/dbraw/zinc/36/79/74/308367974.db2.gz DWOJLRMYADMGPI-WPRPVWTQSA-N 0 2 332.278 3.103 10 5 EGBELN Cc1ccc(S(=O)(=O)Nc2ccc(C3CCC3)cn2)cc1[N+](=O)[O-] ZINC000451047356 310157693 /nfs/dbraw/zinc/15/76/93/310157693.db2.gz CDCHOMFFMDNKJB-UHFFFAOYSA-N 0 2 347.396 3.367 10 5 EGBELN O=C(NCCCc1ccc(Cl)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000491876897 311194762 /nfs/dbraw/zinc/19/47/62/311194762.db2.gz XFFMDRDHQMWWPX-UHFFFAOYSA-N 0 2 334.759 3.316 10 5 EGBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1COc2ccc(Cl)cc2C1 ZINC000183914386 323634198 /nfs/dbraw/zinc/63/41/98/323634198.db2.gz DWUWLPBXEYMQOP-SNVBAGLBSA-N 0 2 348.742 3.144 10 5 EGBELN COc1ccc(N(C)C(=O)c2cccc(O)c2[N+](=O)[O-])cc1Cl ZINC000241684906 455269389 /nfs/dbraw/zinc/26/93/89/455269389.db2.gz QGGVTCADHXRPOA-UHFFFAOYSA-N 0 2 336.731 3.239 10 5 EGBELN O=C(NCC1(C(F)(F)F)CCCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000600696591 460570566 /nfs/dbraw/zinc/57/05/66/460570566.db2.gz RIBNHXPTYRQWKO-UHFFFAOYSA-N 0 2 332.278 3.153 10 5 EGBELN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000125570241 454832696 /nfs/dbraw/zinc/83/26/96/454832696.db2.gz BJAFMXWYWMMIFF-JTQLQIEISA-N 0 2 346.387 3.051 10 5 EGBELN CCC(CC)n1nc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1C ZINC000166099162 454907171 /nfs/dbraw/zinc/90/71/71/454907171.db2.gz IXBVSKPRYWCQAF-UHFFFAOYSA-N 0 2 332.360 3.419 10 5 EGBELN O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000160304215 455446067 /nfs/dbraw/zinc/44/60/67/455446067.db2.gz UTTLNUVETPRSAC-UHFFFAOYSA-N 0 2 342.336 3.071 10 5 EGBELN CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)C12CCCC2 ZINC000184810610 455452253 /nfs/dbraw/zinc/45/22/53/455452253.db2.gz BBCHXRNNUHDTBN-JKSUJKDBSA-N 0 2 348.399 3.110 10 5 EGBELN Cc1cc2c(cc1C)[C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)CO2 ZINC000186021789 455678025 /nfs/dbraw/zinc/67/80/25/455678025.db2.gz FTTSNYUHOOMGIL-CYBMUJFWSA-N 0 2 328.324 3.032 10 5 EGBELN CCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc([N+](=O)[O-])c(O)c1 ZINC000253428424 455846710 /nfs/dbraw/zinc/84/67/10/455846710.db2.gz AMVREWCCJCCWSO-ZDUSSCGKSA-N 0 2 345.380 3.450 10 5 EGBELN CC(C)[C@@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])c1ccccc1 ZINC000280802574 456055010 /nfs/dbraw/zinc/05/50/10/456055010.db2.gz PNJKQMIIKTUWEX-OAHLLOKOSA-N 0 2 328.368 3.470 10 5 EGBELN COCc1ccc([C@H]2CCCN2C(=O)c2cccc(O)c2[N+](=O)[O-])o1 ZINC000280900014 456076657 /nfs/dbraw/zinc/07/66/57/456076657.db2.gz DRJNIUWHWHBMJG-CYBMUJFWSA-N 0 2 346.339 3.017 10 5 EGBELN CCCOc1ccc(CNC(=O)c2cccc(O)c2[N+](=O)[O-])c(C)c1 ZINC000283221123 456740650 /nfs/dbraw/zinc/74/06/50/456740650.db2.gz ASWMRJWOWFXWAC-UHFFFAOYSA-N 0 2 344.367 3.328 10 5 EGBELN CCCCn1ncc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1CC ZINC000277255465 456746484 /nfs/dbraw/zinc/74/64/84/456746484.db2.gz FGPKIESSEVLZIS-UHFFFAOYSA-N 0 2 332.360 3.112 10 5 EGBELN O=C(NC[C@H]1SCCc2ccccc21)c1cc(O)ccc1[N+](=O)[O-] ZINC000353589933 456786565 /nfs/dbraw/zinc/78/65/65/456786565.db2.gz IBZQNCAAMPAVTJ-MRXNPFEDSA-N 0 2 344.392 3.061 10 5 EGBELN O=C(Nc1ccc2c(c1)C(=O)CCC2)c1cc(O)ccc1[N+](=O)[O-] ZINC000353997848 456996572 /nfs/dbraw/zinc/99/65/72/456996572.db2.gz OAICRFYQZOHTOM-UHFFFAOYSA-N 0 2 326.308 3.072 10 5 EGBELN O=C(NCc1cc2ccccc2s1)c1cc(O)ccc1[N+](=O)[O-] ZINC000351525356 457301990 /nfs/dbraw/zinc/30/19/90/457301990.db2.gz RXLIJQHZQLQBTQ-UHFFFAOYSA-N 0 2 328.349 3.445 10 5 EGBELN Cc1ccc([N+](=O)[O-])c(C(=O)N=c2nc(-c3ccsc3)[nH]s2)c1 ZINC000358466967 458019036 /nfs/dbraw/zinc/01/90/36/458019036.db2.gz NXLVJXONWYNTAE-UHFFFAOYSA-N 0 2 346.393 3.157 10 5 EGBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@](F)(c2ccccc2)C1 ZINC000375887271 458110112 /nfs/dbraw/zinc/11/01/12/458110112.db2.gz IPTRZILWKZADDD-QGZVFWFLSA-N 0 2 330.315 3.011 10 5 EGBELN C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000377822558 458541747 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COc1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc2cccnc21 ZINC000436862427 458395570 /nfs/dbraw/zinc/39/55/70/458395570.db2.gz FJSAOHRWCGMVNU-UHFFFAOYSA-N 0 2 339.307 3.110 10 5 EGBELN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc2c1OCCC2 ZINC000464538816 458759519 /nfs/dbraw/zinc/75/95/19/458759519.db2.gz RPPCDPBTBRYQDO-UHFFFAOYSA-N 0 2 348.380 3.029 10 5 EGBELN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc2c1OCCC2 ZINC000464542035 458759694 /nfs/dbraw/zinc/75/96/94/458759694.db2.gz YUQIVSNAHNSTRV-UHFFFAOYSA-N 0 2 348.380 3.029 10 5 EGBELN O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000481786452 459273822 /nfs/dbraw/zinc/27/38/22/459273822.db2.gz YUKIBRCTICAWTI-AULYBMBSSA-N 0 2 330.315 3.116 10 5 EGBELN O=c1nc2n(-c3ccccc3F)c3c(Cl)cccc3cc-2c(=O)[nH]1 ZINC000584653572 459778481 /nfs/dbraw/zinc/77/84/81/459778481.db2.gz YKBMHMMSHOMOLZ-UHFFFAOYSA-N 0 2 341.729 3.384 10 5 EGBELN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CCc2ccccc21 ZINC000597944741 460122121 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C[C@H](OCCCNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000345651372 164234789 /nfs/dbraw/zinc/23/47/89/164234789.db2.gz XXMZVAXWJUYPNM-ZDUSSCGKSA-N 0 2 344.367 3.198 10 5 EGBELN O=C(Nc1cnc(-c2ccccc2)nc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000346146122 164349608 /nfs/dbraw/zinc/34/96/08/164349608.db2.gz IINBNNMSGZKBKA-UHFFFAOYSA-N 0 2 336.307 3.010 10 5 EGBELN CC[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])Oc1ccccc1F ZINC000346381922 164378129 /nfs/dbraw/zinc/37/81/29/164378129.db2.gz ONACQANFOQOXPC-LBPRGKRZSA-N 0 2 348.330 3.027 10 5 EGBELN COc1c(C)cc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2O)cc1C ZINC000179470473 265379337 /nfs/dbraw/zinc/37/93/37/265379337.db2.gz UFXYTWMMAVUBSU-UHFFFAOYSA-N 0 2 344.367 3.198 10 5 EGBELN CC(C)(C)C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])C(F)(F)F ZINC000354717663 278336982 /nfs/dbraw/zinc/33/69/82/278336982.db2.gz MGBLOKDMPOEUFD-NSHDSACASA-N 0 2 334.294 3.397 10 5 EGBELN O=C(NC[C@@H]1CCCCC(F)(F)C1)c1cccc(O)c1[N+](=O)[O-] ZINC000293743068 308157892 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348.399 3.110 10 5 EGBELN O=C(Nc1cccc(C2CCOCC2)c1)c1cccc(O)c1[N+](=O)[O-] ZINC000600427437 460494261 /nfs/dbraw/zinc/49/42/61/460494261.db2.gz OMZGFTWCVKBQLM-UHFFFAOYSA-N 0 2 342.351 3.447 10 5 EGBELN CC[C@H](OCCNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC001144956403 1378785373 /nfs/dbraw/zinc/78/53/73/1378785373.db2.gz PYLTXZTWLQEEIR-KRWDZBQOSA-N 0 2 344.367 3.198 10 5 EGBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC(Cc2ccccc2)CC1 ZINC000350799914 141267461 /nfs/dbraw/zinc/26/74/61/141267461.db2.gz CKGMLIROLAHYPS-UHFFFAOYSA-N 0 2 340.379 3.395 10 5 EGBELN Cc1ccc2nc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])sc2c1 ZINC000336870891 154224776 /nfs/dbraw/zinc/22/47/76/154224776.db2.gz CPFRVXRUIGACNR-UHFFFAOYSA-N 0 2 329.337 3.471 10 5 EGBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(Cc2ccccc2)CC1 ZINC000336890673 163088043 /nfs/dbraw/zinc/08/80/43/163088043.db2.gz NVAAUCLEKNLBIZ-UHFFFAOYSA-N 0 2 340.379 3.395 10 5 EGBELN Cc1cccc(OCCCNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1C ZINC000355493949 166220623 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CCC1(c2ccccc2)CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000458223683 457977075 /nfs/dbraw/zinc/97/70/75/457977075.db2.gz YQGUWBNAUXYZQT-UHFFFAOYSA-N 0 2 326.352 3.104 10 5 EGBELN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc2ncsc2c1 ZINC000362503638 458223932 /nfs/dbraw/zinc/22/39/32/458223932.db2.gz YXSOKIIEZJTKSO-SECBINFHSA-N 0 2 343.364 3.401 10 5 EGBELN Cc1ccc(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)cn1 ZINC000373475725 458503137 /nfs/dbraw/zinc/50/31/37/458503137.db2.gz MSDLDLYWDMHWAP-UHFFFAOYSA-N 0 2 341.367 3.024 10 5 EGBELN C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000377822556 458542407 /nfs/dbraw/zinc/54/24/07/458542407.db2.gz BNVXQEXAGDEWJS-IUODEOHRSA-N 0 2 326.352 3.319 10 5 EGBELN CC(C)(C)OC(=O)CCCCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000594333980 460189209 /nfs/dbraw/zinc/18/92/09/460189209.db2.gz HDAGOWHLFAJDDH-UHFFFAOYSA-N 0 2 338.360 3.141 10 5 EGBELN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1c(F)cccc1Cl ZINC000125264985 518189958 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Cc1c(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)oc2ccccc12 ZINC000115714693 152027752 /nfs/dbraw/zinc/02/77/52/152027752.db2.gz PHRYAXDNMFXWEE-UHFFFAOYSA-N 0 2 326.308 3.285 10 5 EGBELN COc1ccc(OCCCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000346882785 156177741 /nfs/dbraw/zinc/17/77/41/156177741.db2.gz KMXLFAFTCBTIGZ-UHFFFAOYSA-N 0 2 346.339 3.107 10 5 EGBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ncsc1C(F)(F)F ZINC000338801561 163351834 /nfs/dbraw/zinc/35/18/34/163351834.db2.gz XNNJYQSDCKHCFE-UHFFFAOYSA-N 0 2 333.247 3.028 10 5 EGBELN C[C@@H](OCCCNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000345651369 164235168 /nfs/dbraw/zinc/23/51/68/164235168.db2.gz XXMZVAXWJUYPNM-CYBMUJFWSA-N 0 2 344.367 3.198 10 5 EGBELN Cc1ccc(C)n1C1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000351965110 165172110 /nfs/dbraw/zinc/17/21/10/165172110.db2.gz QPQZGCXJVBGRLR-UHFFFAOYSA-N 0 2 343.383 3.196 10 5 EGBELN CN(Cc1cc(Cl)ccc1F)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000355237050 166143821 /nfs/dbraw/zinc/14/38/21/166143821.db2.gz LIUZKGXTXFKLIU-UHFFFAOYSA-N 0 2 338.722 3.365 10 5 EGBELN O=C(Nc1ccc([C@H]2CCOC2)cc1)c1cccc(O)c1[N+](=O)[O-] ZINC000359036537 167045478 /nfs/dbraw/zinc/04/54/78/167045478.db2.gz ILDBQNSSPQIGLF-LBPRGKRZSA-N 0 2 328.324 3.057 10 5 EGBELN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc2cc[nH]c2c1 ZINC000193482430 266037075 /nfs/dbraw/zinc/03/70/75/266037075.db2.gz FAPHPNPSSDBZDD-UHFFFAOYSA-N 0 2 331.353 3.185 10 5 EGBELN Cc1nc2c(s1)[C@@H](N(C)C(=O)c1cccc(O)c1[N+](=O)[O-])CCC2 ZINC000282912829 275682350 /nfs/dbraw/zinc/68/23/50/275682350.db2.gz BPQLLONBHYDOCR-LBPRGKRZSA-N 0 2 347.396 3.215 10 5 EGBELN Cc1ccccc1[C@@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000351795501 302153311 /nfs/dbraw/zinc/15/33/11/302153311.db2.gz NAHFSVVZTXAPNR-CYBMUJFWSA-N 0 2 326.352 3.239 10 5 EGBELN CN1CCC[C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])c2ccccc21 ZINC000456603174 310414488 /nfs/dbraw/zinc/41/44/88/310414488.db2.gz IIZGZZAMQYHBSA-AWEZNQCLSA-N 0 2 341.367 3.002 10 5 EGBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1sccc1Br ZINC000183898159 455337293 /nfs/dbraw/zinc/33/72/93/455337293.db2.gz XFIHJCULNWJLEZ-UHFFFAOYSA-N 0 2 343.158 3.377 10 5 EGBELN O=C(N[C@@H](c1ccco1)c1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000078228694 454212818 /nfs/dbraw/zinc/21/28/18/454212818.db2.gz ZSAMVTLYQGHNNP-QGZVFWFLSA-N 0 2 338.319 3.413 10 5 EGBELN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC=C(c2ccccc2F)CC1 ZINC000137351986 454777804 /nfs/dbraw/zinc/77/78/04/454777804.db2.gz QLXOFVYUFFLANY-UHFFFAOYSA-N 0 2 342.326 3.369 10 5 EGBELN Cc1ccc(C(=O)CCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000183913817 455338836 /nfs/dbraw/zinc/33/88/36/455338836.db2.gz YAOANAJYLPQDEO-UHFFFAOYSA-N 0 2 328.324 3.210 10 5 EGBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1csc(-c2ccoc2)n1 ZINC000183912848 455338850 /nfs/dbraw/zinc/33/88/50/455338850.db2.gz WCSMZKYVGUGPRY-UHFFFAOYSA-N 0 2 331.309 3.269 10 5 EGBELN Cc1ccc(-n2cccn2)cc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000191842620 455525187 /nfs/dbraw/zinc/52/51/87/455525187.db2.gz GJVIMMBLXACLIV-UHFFFAOYSA-N 0 2 338.323 3.047 10 5 EGBELN O=C(N[C@@H]1CCSc2c(F)cccc21)c1cccc(O)c1[N+](=O)[O-] ZINC000342951714 456334478 /nfs/dbraw/zinc/33/44/78/456334478.db2.gz LRVZXCCTSQDKLC-GFCCVEGCSA-N 0 2 348.355 3.406 10 5 EGBELN CSc1cc(C)ccc1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000353772154 456899570 /nfs/dbraw/zinc/89/95/70/456899570.db2.gz ZKWJJFXIPGHDMT-UHFFFAOYSA-N 0 2 332.381 3.261 10 5 EGBELN CC(C)(C)c1nc(CCNC(=O)c2cc(O)ccc2[N+](=O)[O-])cs1 ZINC000354380338 457187605 /nfs/dbraw/zinc/18/76/05/457187605.db2.gz HIWQWKKPQDKDFX-UHFFFAOYSA-N 0 2 349.412 3.027 10 5 EGBELN O=C(N[C@@H]1CCSc2ccccc21)c1cccc(O)c1[N+](=O)[O-] ZINC000355903778 457430348 /nfs/dbraw/zinc/43/03/48/457430348.db2.gz CUFSYDUVJGKXJW-GFCCVEGCSA-N 0 2 330.365 3.267 10 5 EGBELN O=C(N[C@@H]1CCSc2ccc(F)cc21)c1cccc(O)c1[N+](=O)[O-] ZINC000357991358 457735581 /nfs/dbraw/zinc/73/55/81/457735581.db2.gz IRQBZSXIWASCPP-GFCCVEGCSA-N 0 2 348.355 3.406 10 5 EGBELN O=C(CO[C@@H]1CCCc2ccccc21)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000435807473 458207630 /nfs/dbraw/zinc/20/76/30/458207630.db2.gz IXIQCPDNNVCXAE-QGZVFWFLSA-N 0 2 342.351 3.333 10 5 EGBELN Cc1ccccc1[C@]1(F)CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000436509831 458319191 /nfs/dbraw/zinc/31/91/91/458319191.db2.gz GCAXSOFOCPTNJK-SFHVURJKSA-N 0 2 344.342 3.320 10 5 EGBELN COc1ccccc1C(C)(C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000483431734 459369682 /nfs/dbraw/zinc/36/96/82/459369682.db2.gz DHKZMYMFMQZESW-UHFFFAOYSA-N 0 2 330.340 3.225 10 5 EGBELN C[C@]1(c2cccc(F)c2)CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593761550 459977450 /nfs/dbraw/zinc/97/74/50/459977450.db2.gz KENUQIZTKCTVKF-SFHVURJKSA-N 0 2 344.342 3.243 10 5 EGBELN CC1(C)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000600209125 460442371 /nfs/dbraw/zinc/44/23/71/460442371.db2.gz XKTHEVRIKGPWEN-HOCLYGCPSA-N 0 2 326.352 3.222 10 5 EGBELN O=C(NCCc1ccc(F)cc1Cl)c1ccc([N+](=O)[O-])cc1O ZINC001144769579 1378770920 /nfs/dbraw/zinc/77/09/20/1378770920.db2.gz QKOJSJWXVAYMLU-UHFFFAOYSA-N 0 2 338.722 3.065 10 5 EGBELN O=C(Nc1ccc2[nH]c(CC3CCCCC3)nc2c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001148874936 1379288959 /nfs/dbraw/zinc/28/89/59/1379288959.db2.gz KDHNALYNMCDCFK-CZUORRHYSA-N 0 2 342.399 3.289 10 5 EGBELN CC(C)(Cc1ccc(O)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001153454609 1380079995 /nfs/dbraw/zinc/07/99/95/1380079995.db2.gz CNGNQDPOFLPXDY-UHFFFAOYSA-N 0 2 330.340 3.213 10 5 EGBELN CC(=O)c1ccc(O)c(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])c1 ZINC001295811111 1382830347 /nfs/dbraw/zinc/83/03/47/1382830347.db2.gz BUWJBCCDGYGMOT-UHFFFAOYSA-N 0 2 332.287 3.203 10 5 EGBELN CC(C)(C)O[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C12CCC2 ZINC001300848000 1383683106 /nfs/dbraw/zinc/68/31/06/1383683106.db2.gz OEEOFMILLHLQNY-GJZGRUSLSA-N 0 2 348.399 3.157 10 5 EGBELN Cc1oc2ccccc2c1CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000344819572 144228192 /nfs/dbraw/zinc/22/81/92/144228192.db2.gz GMDQQQAWKKOLQR-UHFFFAOYSA-N 0 2 340.335 3.328 10 5 EGBELN O=C(NC[C@H]1CCCc2ccccc21)c1cc(O)ccc1[N+](=O)[O-] ZINC000346162329 164354056 /nfs/dbraw/zinc/35/40/56/164354056.db2.gz ZHJUMVJJKUDQEX-CYBMUJFWSA-N 0 2 326.352 3.150 10 5 EGBELN O=C(Nc1nc(-c2cccs2)ns1)c1cc(O)ccc1[N+](=O)[O-] ZINC000355784472 166308379 /nfs/dbraw/zinc/30/83/79/166308379.db2.gz AULOYZXXPLOFTF-UHFFFAOYSA-N 0 2 348.365 3.133 10 5 EGBELN Cc1ccccc1C1(CNC(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000281009773 275514073 /nfs/dbraw/zinc/51/40/73/275514073.db2.gz SEDGMOMKYGSXOB-UHFFFAOYSA-N 0 2 326.352 3.070 10 5 EGBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC[C@H](c2ccccc2)C1 ZINC000348864745 304550245 /nfs/dbraw/zinc/55/02/45/304550245.db2.gz FQYBBKIODKWXPC-AWEZNQCLSA-N 0 2 326.352 3.320 10 5 EGBELN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000375786206 300444392 /nfs/dbraw/zinc/44/43/92/300444392.db2.gz LZVJLBICVZTENF-WCQYABFASA-N 0 2 344.342 3.458 10 5 EGBELN C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000361021603 300665963 /nfs/dbraw/zinc/66/59/63/300665963.db2.gz BGVUDYPTUSYGEH-WPRPVWTQSA-N 0 2 332.278 3.103 10 5 EGBELN Cc1cccc2sc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])nc21 ZINC000348651740 302074172 /nfs/dbraw/zinc/07/41/72/302074172.db2.gz HUVMYKLJAUZEPV-UHFFFAOYSA-N 0 2 329.337 3.471 10 5 EGBELN Cc1cc(CCNC(=O)c2cccc(O)c2[N+](=O)[O-])ccc1Cl ZINC000428289812 309546701 /nfs/dbraw/zinc/54/67/01/309546701.db2.gz VBALWSOBZRDTBN-UHFFFAOYSA-N 0 2 334.759 3.235 10 5 EGBELN CC[C@]1(C)Oc2ccc(NC(=O)c3cccc(O)c3[N+](=O)[O-])cc2O1 ZINC000538368039 314242461 /nfs/dbraw/zinc/24/24/61/314242461.db2.gz VHUKGTYSCZTZOA-QGZVFWFLSA-N 0 2 344.323 3.450 10 5 EGBELN CO[C@@H](C)c1nc(C)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)s1 ZINC000092546215 454583922 /nfs/dbraw/zinc/58/39/22/454583922.db2.gz PMRIJFSIGYMLHU-QMMMGPOBSA-N 0 2 337.357 3.025 10 5 EGBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1SCCc2ccccc21 ZINC000183895791 455337053 /nfs/dbraw/zinc/33/70/53/455337053.db2.gz BXAJSTGQJIZGQF-HNNXBMFYSA-N 0 2 330.365 3.270 10 5 EGBELN CN(Cc1ccc(F)cc1Cl)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000185559073 455577986 /nfs/dbraw/zinc/57/79/86/455577986.db2.gz MSUOVDIDUFKFBA-UHFFFAOYSA-N 0 2 338.722 3.365 10 5 EGBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCc2c(Cl)cccc2C1 ZINC000343507276 456667038 /nfs/dbraw/zinc/66/70/38/456667038.db2.gz SDRHDTQTLZWEBZ-UHFFFAOYSA-N 0 2 332.743 3.152 10 5 EGBELN CCCOC1(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])CCCCC1 ZINC000353564615 456764020 /nfs/dbraw/zinc/76/40/20/456764020.db2.gz CUYIIFVRJJOMLY-UHFFFAOYSA-N 0 2 336.388 3.160 10 5 EGBELN Cc1c(CNC(=O)c2cc(F)c(O)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000436604710 458343394 /nfs/dbraw/zinc/34/33/94/458343394.db2.gz JSYGZPQLZIZDTA-UHFFFAOYSA-N 0 2 338.722 3.331 10 5 EGBELN CC(C)(CCNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000586752849 459862606 /nfs/dbraw/zinc/86/26/06/459862606.db2.gz RQHTUOSWFNTENU-UHFFFAOYSA-N 0 2 328.368 3.398 10 5 EGBELN O=C(Nc1ccc2c(cnn2C(F)F)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000586800082 459877497 /nfs/dbraw/zinc/87/74/97/459877497.db2.gz UNBJMGHPQLLMJH-UHFFFAOYSA-N 0 2 348.265 3.298 10 5 EGBELN CN(C[C@@H]1CCc2ccccc21)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000598469922 459906292 /nfs/dbraw/zinc/90/62/92/459906292.db2.gz PZYGYMYLRQUVJR-ZDUSSCGKSA-N 0 2 326.352 3.102 10 5 EGBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CC2(CCC2)[C@@H]1c1ccncc1 ZINC000598572983 459945094 /nfs/dbraw/zinc/94/50/94/459945094.db2.gz NFYWWSNILUMETG-INIZCTEOSA-N 0 2 339.351 3.063 10 5 EGBELN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc2c(c1)CCCO2 ZINC000598576309 459946906 /nfs/dbraw/zinc/94/69/06/459946906.db2.gz KUDLRNRBSVZLQH-NSHDSACASA-N 0 2 342.351 3.116 10 5 EGBELN C[C@@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])CCc2ccccc21 ZINC000593854964 460004126 /nfs/dbraw/zinc/00/41/26/460004126.db2.gz NQMFQXGJKZLTOA-GFCCVEGCSA-N 0 2 326.352 3.102 10 5 EGBELN O=C(CSCc1ccc(F)cc1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000614274085 460077441 /nfs/dbraw/zinc/07/74/41/460077441.db2.gz RGIWNJMHKJZTIR-UHFFFAOYSA-N 0 2 336.344 3.311 10 5 EGBELN CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2O)CCc2ccccc21 ZINC000597943742 460121673 /nfs/dbraw/zinc/12/16/73/460121673.db2.gz FUNCZWLMDYFNHV-UHFFFAOYSA-N 0 2 340.379 3.277 10 5 EGBELN CC(C)(C)OC(=O)CCCCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000594337875 460190311 /nfs/dbraw/zinc/19/03/11/460190311.db2.gz SWGAJZQITPSQPP-UHFFFAOYSA-N 0 2 338.360 3.141 10 5 EGBELN O=C(NCC1CCc2ccccc2CC1)c1cccc(O)c1[N+](=O)[O-] ZINC000600166641 460416858 /nfs/dbraw/zinc/41/68/58/460416858.db2.gz HEUXUBTXYZHQPZ-UHFFFAOYSA-N 0 2 340.379 3.225 10 5 EGBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(-c2csnn2)cc1 ZINC001153455528 1380079689 /nfs/dbraw/zinc/07/96/89/1380079689.db2.gz MQBWMTURGKZDBU-UHFFFAOYSA-N 0 2 342.336 3.071 10 5 EGBELN Cc1oc2ccccc2c1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354746714 166021859 /nfs/dbraw/zinc/02/18/59/166021859.db2.gz MGMUXCIIDTVOSI-UHFFFAOYSA-N 0 2 326.308 3.285 10 5 EGBELN CC[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000346363871 164375299 /nfs/dbraw/zinc/37/52/99/164375299.db2.gz FGCDUEGIWIYBTF-CQSZACIVSA-N 0 2 336.294 3.460 10 5 EGBELN COc1ccc([C@@H]2CCCN2C(=O)c2cccc(O)c2[N+](=O)[O-])cc1 ZINC000281113950 275523081 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EGBELN Cn1ncc(Nc2ncc(Br)cc2[N+](=O)[O-])c1C(F)F ZINC000611143802 460295846 /nfs/dbraw/zinc/29/58/46/460295846.db2.gz LYIZUQHAUREQHK-UHFFFAOYSA-N 0 2 348.107 3.167 10 5 EGBELN O=c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1-c1cccc2ncccc21 ZINC000603920949 460359335 /nfs/dbraw/zinc/35/93/35/460359335.db2.gz GZDPYLNZMMEZJQ-UHFFFAOYSA-N 0 2 332.319 3.284 10 5 EGBELN CC[C@H](CCc1ccccc1)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000600252481 460458816 /nfs/dbraw/zinc/45/88/16/460458816.db2.gz HLCVADGYBTVSHL-CQSZACIVSA-N 0 2 328.368 3.442 10 5 EGBELN O=C(Nc1cccc(C2CCOCC2)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000600425722 460494771 /nfs/dbraw/zinc/49/47/71/460494771.db2.gz DEEJXVZPEAPBJS-UHFFFAOYSA-N 0 2 342.351 3.447 10 5 EGBELN Cc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C(F)(F)F)o1 ZINC001143750332 1378641394 /nfs/dbraw/zinc/64/13/94/1378641394.db2.gz MCTSXABACYBZIN-GFCCVEGCSA-N 0 2 344.245 3.235 10 5 EGBELN CCN(CC)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC001290597361 1382100203 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O=C(Nc1nc(-c2ccsc2)ns1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000109695245 162108679 /nfs/dbraw/zinc/10/86/79/162108679.db2.gz VHOZTTCFHONANV-UHFFFAOYSA-N 0 2 348.365 3.133 10 5 EGBELN CC(C)Oc1cccc(CN(C)C(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000354317452 166002561 /nfs/dbraw/zinc/00/25/61/166002561.db2.gz GOCJGGIQJXUMQU-UHFFFAOYSA-N 0 2 344.367 3.360 10 5 EGBELN O=C(NCC1(c2ccc(F)cc2F)CC1)c1cccc(O)c1[N+](=O)[O-] ZINC000343869097 164054501 /nfs/dbraw/zinc/05/45/01/164054501.db2.gz OPHJKVUOTNZHOC-UHFFFAOYSA-N 0 2 348.305 3.040 10 5 EGBELN COc1ccc(CC[C@H](C)NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000346345867 164372612 /nfs/dbraw/zinc/37/26/12/164372612.db2.gz YTHNJVIAGHOQSY-LBPRGKRZSA-N 0 2 344.367 3.060 10 5 EGBELN O=C(N[C@H]1CC[C@H](Cc2ccccc2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000354996523 166082339 /nfs/dbraw/zinc/08/23/39/166082339.db2.gz FVKGWVNCFFGIPC-CABCVRRESA-N 0 2 340.379 3.442 10 5 EGBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@@H](Cc2ccccc2)C1 ZINC000352269202 165319049 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Cn1cccc1[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184841530 302979908 /nfs/dbraw/zinc/97/99/08/302979908.db2.gz VELXKOYASPVWJP-OAHLLOKOSA-N 0 2 329.356 3.006 10 5 EGBELN Cc1nc(C)c(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)s1 ZINC000414369269 309075641 /nfs/dbraw/zinc/07/56/41/309075641.db2.gz DLSOFBGSRXSLFY-UHFFFAOYSA-N 0 2 341.414 3.086 10 5 EGBELN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(F)(c2ccccc2)CC1 ZINC000447612245 309984504 /nfs/dbraw/zinc/98/45/04/309984504.db2.gz QDKQNRZEDIMWHT-UHFFFAOYSA-N 0 2 344.342 3.401 10 5 EGBELN C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000456112886 310389024 /nfs/dbraw/zinc/38/90/24/310389024.db2.gz GXFBYTRVCHLEIP-RKDXNWHRSA-N 0 2 332.278 3.103 10 5 EGBELN O=C(N[C@H]1CCCOc2ccc(F)cc21)c1cc(O)ccc1[N+](=O)[O-] ZINC000507538552 312076729 /nfs/dbraw/zinc/07/67/29/312076729.db2.gz SCOCABSASJFJHI-AWEZNQCLSA-N 0 2 346.314 3.083 10 5 EGBELN Cc1cccc(CSCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000166181882 454908561 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Cc1ccc(CCCNC(=O)c2cccc(O)c2[N+](=O)[O-])c(C)c1 ZINC000600393874 460488815 /nfs/dbraw/zinc/48/88/15/460488815.db2.gz NHSSZDAEHHECNJ-UHFFFAOYSA-N 0 2 328.368 3.280 10 5 EGBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC2(CCSCC2)CC1 ZINC000601739717 460886543 /nfs/dbraw/zinc/88/65/43/460886543.db2.gz KVFMTKZELPICON-UHFFFAOYSA-N 0 2 336.413 3.050 10 5 EGBELN O=C(CSc1ccc([N+](=O)[O-])cc1)NOCCCC(F)(F)F ZINC000871210036 1296274818 /nfs/dbraw/zinc/27/48/18/1296274818.db2.gz QQLJUJOZYNCKEL-UHFFFAOYSA-N 0 2 338.307 3.077 10 5 EGBELN Cc1ccccc1[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC001297188420 1383126823 /nfs/dbraw/zinc/12/68/23/1383126823.db2.gz KQOGSAXCRIZQGB-JOCQHMNTSA-N 0 2 326.352 3.285 10 5 EGBELN COc1ccc2nc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])sc2c1 ZINC000326881239 163084567 /nfs/dbraw/zinc/08/45/67/163084567.db2.gz CMXVTAMOXGHUGL-UHFFFAOYSA-N 0 2 345.336 3.171 10 5 EGBELN Cc1oc2ccccc2c1CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000343845941 164049732 /nfs/dbraw/zinc/04/97/32/164049732.db2.gz CADMAEZRAGXGMQ-UHFFFAOYSA-N 0 2 326.308 3.285 10 5 EGBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@H](Cc2ccccc2)C1 ZINC000352269203 165319405 /nfs/dbraw/zinc/31/94/05/165319405.db2.gz JUTGDRDYVSJGGY-OAHLLOKOSA-N 0 2 340.379 3.395 10 5 EGBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCc2c(Cl)cccc2C1 ZINC000353941108 304502095 /nfs/dbraw/zinc/50/20/95/304502095.db2.gz UMGDPFOGKMFKDC-UHFFFAOYSA-N 0 2 332.743 3.152 10 5 EGBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000354699913 304502678 /nfs/dbraw/zinc/50/26/78/304502678.db2.gz RGUFOLCDQVSALQ-SNVBAGLBSA-N 0 2 338.319 3.021 10 5 EGBELN CCO[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2O)C12CCCC2 ZINC000179513972 265382292 /nfs/dbraw/zinc/38/22/92/265382292.db2.gz GAUGMNFBGCRJRK-HZPDHXFCSA-N 0 2 348.399 3.110 10 5 EGBELN O=C(NCC1(c2ccccc2)CCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000280852229 275501404 /nfs/dbraw/zinc/50/14/04/275501404.db2.gz WUPFYJYNDHEZIK-UHFFFAOYSA-N 0 2 326.352 3.152 10 5 EGBELN CC(C)C1(c2ccccc2)CN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000413977950 309055136 /nfs/dbraw/zinc/05/51/36/309055136.db2.gz BEUWFCVDZYAZSH-UHFFFAOYSA-N 0 2 340.379 3.350 10 5 EGBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@@H](CC(F)(F)F)C1 ZINC000421940905 309347180 /nfs/dbraw/zinc/34/71/80/309347180.db2.gz BTWVGPLTTBAUKL-VIFPVBQESA-N 0 2 332.278 3.105 10 5 EGBELN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000469664935 310708748 /nfs/dbraw/zinc/70/87/48/310708748.db2.gz KMKKXHGHOZTEKQ-LBPRGKRZSA-N 0 2 328.368 3.397 10 5 EGBELN O=C(NCc1ccc(-c2ccccc2)o1)c1cc(O)ccc1[N+](=O)[O-] ZINC000507189073 312062198 /nfs/dbraw/zinc/06/21/98/312062198.db2.gz IBZMHYYKJLVDMV-UHFFFAOYSA-N 0 2 338.319 3.490 10 5 EGBELN C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000539488609 314316720 /nfs/dbraw/zinc/31/67/20/314316720.db2.gz MYBMVJHPGKQKDZ-QLJPJBMISA-N 0 2 344.342 3.493 10 5 EGBELN CC(C)c1noc2ncc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)cc21 ZINC000183902644 323634209 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O=C(NC[C@@H]1SCCc2ccccc21)c1cc(O)ccc1[N+](=O)[O-] ZINC000353589930 456786716 /nfs/dbraw/zinc/78/67/16/456786716.db2.gz IBZQNCAAMPAVTJ-INIZCTEOSA-N 0 2 344.392 3.061 10 5 EGBELN Cc1ccc([C@@H]2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C2)cc1 ZINC000376140646 458210093 /nfs/dbraw/zinc/21/00/93/458210093.db2.gz NDDORVTYCNTQAJ-CQSZACIVSA-N 0 2 326.352 3.239 10 5 EGBELN Cc1cccc([C@@H]2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C2)c1 ZINC000376141459 458210302 /nfs/dbraw/zinc/21/03/02/458210302.db2.gz MTWSROLTQQWYSO-CQSZACIVSA-N 0 2 326.352 3.239 10 5 EGBELN O=C(NCCc1ccccc1[N+](=O)[O-])c1cc(F)c(O)c(Cl)c1 ZINC000436919441 458406169 /nfs/dbraw/zinc/40/61/69/458406169.db2.gz CPDNRQGBZGNFFO-UHFFFAOYSA-N 0 2 338.722 3.065 10 5 EGBELN O=C(NCc1cccc(-c2ccccn2)c1)c1cc([N+](=O)[O-])ccc1O ZINC000436955070 458412143 /nfs/dbraw/zinc/41/21/43/458412143.db2.gz CWUCOHFEXXIKLV-UHFFFAOYSA-N 0 2 349.346 3.292 10 5 EGBELN CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C12CCC2 ZINC000598296326 459851897 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CC[C@@]1(C)Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)cc2O1 ZINC001154439471 1380277159 /nfs/dbraw/zinc/27/71/59/1380277159.db2.gz CNHBUYQIIOVVKQ-KRWDZBQOSA-N 0 2 344.323 3.450 10 5 EGBELN O=C(NCC1(Cc2ccc(F)cc2)CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000354563638 141307115 /nfs/dbraw/zinc/30/71/15/141307115.db2.gz QURKDXBQKJEKFC-UHFFFAOYSA-N 0 2 344.342 3.192 10 5 EGBELN CCSc1cccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000343646558 164002955 /nfs/dbraw/zinc/00/29/55/164002955.db2.gz IPZYZAHNKGNTMJ-UHFFFAOYSA-N 0 2 332.381 3.342 10 5 EGBELN Cc1c(Cl)cccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000343866070 164053400 /nfs/dbraw/zinc/05/34/00/164053400.db2.gz CWTFFCSCDCCAEF-UHFFFAOYSA-N 0 2 342.760 3.063 10 5 EGBELN COc1ccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])cc1OC(C)C ZINC000343876833 164056302 /nfs/dbraw/zinc/05/63/02/164056302.db2.gz SSUXCNLHKJWVAW-UHFFFAOYSA-N 0 2 346.339 3.349 10 5 EGBELN O=C(c1cccc(O)c1[N+](=O)[O-])N(Cc1ccc(O)cc1)CC1CC1 ZINC000281315065 275539411 /nfs/dbraw/zinc/53/94/11/275539411.db2.gz SHCMLBUYRBPTKK-UHFFFAOYSA-N 0 2 342.351 3.058 10 5 EGBELN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[C@H]1C(F)(F)F ZINC000190695279 281222164 /nfs/dbraw/zinc/22/21/64/281222164.db2.gz KIHVWKCRAICCDR-GFCCVEGCSA-N 0 2 346.305 3.351 10 5 EGBELN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1c(F)cccc1Cl ZINC000137280300 307717090 /nfs/dbraw/zinc/71/70/90/307717090.db2.gz OFGXWOFVFQQCBA-UHFFFAOYSA-N 0 2 344.751 3.497 10 5 EGBELN O=C(N[C@@H]1CCCc2cc(F)ccc21)c1ccc([N+](=O)[O-])c(O)c1 ZINC000153867980 307782977 /nfs/dbraw/zinc/78/29/77/307782977.db2.gz VKDAAUIQQPAXAJ-CQSZACIVSA-N 0 2 330.315 3.247 10 5 EGBELN Cc1c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cnn1-c1ccccc1 ZINC000155960791 307824215 /nfs/dbraw/zinc/82/42/15/307824215.db2.gz OBTWLWKTTFRQHT-UHFFFAOYSA-N 0 2 338.323 3.047 10 5 EGBELN CN1CCC[C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])c2ccccc21 ZINC000456603175 310414547 /nfs/dbraw/zinc/41/45/47/310414547.db2.gz IIZGZZAMQYHBSA-CQSZACIVSA-N 0 2 341.367 3.002 10 5 EGBELN CC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000507534743 312076766 /nfs/dbraw/zinc/07/67/66/312076766.db2.gz PRRLYCCRWTWFRU-UHFFFAOYSA-N 0 2 349.730 3.165 10 5 EGBELN C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000539488601 314316792 /nfs/dbraw/zinc/31/67/92/314316792.db2.gz MYBMVJHPGKQKDZ-HWPZZCPQSA-N 0 2 344.342 3.493 10 5 EGBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000166083092 454907517 /nfs/dbraw/zinc/90/75/17/454907517.db2.gz UBKGHSVRZXDBKC-GHMZBOCLSA-N 0 2 334.278 3.321 10 5 EGBELN Cc1csc([C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3O)C2)n1 ZINC000179523370 455055170 /nfs/dbraw/zinc/05/51/70/455055170.db2.gz LVMNNRJAGXGXHB-LLVKDONJSA-N 0 2 347.396 3.085 10 5 EGBELN C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000297042881 456100895 /nfs/dbraw/zinc/10/08/95/456100895.db2.gz VADQNDOEQHVBTA-BDAKNGLRSA-N 0 2 332.278 3.103 10 5 EGBELN CN(C(=O)c1cccc(O)c1[N+](=O)[O-])[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000291961134 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O=C(Nc1nc(C(F)(F)F)cs1)c1ccc([N+](=O)[O-])cc1O ZINC000436602913 309764318 /nfs/dbraw/zinc/76/43/18/309764318.db2.gz KVPPESBTWRNZOD-UHFFFAOYSA-N 0 2 333.247 3.028 10 5 EGBELN Cc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nn1[C@H](C)C1CC1 ZINC000436616016 309764780 /nfs/dbraw/zinc/76/47/80/309764780.db2.gz CTTCBWNPGVJKPN-SNVBAGLBSA-N 0 2 330.344 3.029 10 5 EGBELN COc1ccc2occ(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)c2c1 ZINC000442896446 309891047 /nfs/dbraw/zinc/89/10/47/309891047.db2.gz YWSVIJABTNECTO-UHFFFAOYSA-N 0 2 328.280 3.308 10 5 EGBELN CCCn1ncc(NC(=O)c2cccc(O)c2[N+](=O)[O-])c1C1CC1 ZINC000452977658 310251552 /nfs/dbraw/zinc/25/15/52/310251552.db2.gz GYPWGCBTAGIPHA-UHFFFAOYSA-N 0 2 330.344 3.037 10 5 EGBELN COc1ccc(N(CC2CC2)C(=O)c2cccc(O)c2[N+](=O)[O-])cc1 ZINC000456174241 310391909 /nfs/dbraw/zinc/39/19/09/310391909.db2.gz HOLYIYRJXDMCKN-UHFFFAOYSA-N 0 2 342.351 3.366 10 5 EGBELN Cc1csc(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)n1 ZINC000157796570 455233190 /nfs/dbraw/zinc/23/31/90/455233190.db2.gz XDZZOYUIGHIVPY-UHFFFAOYSA-N 0 2 347.396 3.085 10 5 EGBELN O=C(COc1ccc(F)cc1Cl)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166186830 454908271 /nfs/dbraw/zinc/90/82/71/454908271.db2.gz VQBRUOSGEUSILB-UHFFFAOYSA-N 0 2 340.694 3.110 10 5 EGBELN COc1ccc([C@@H](C)CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000166127858 454908673 /nfs/dbraw/zinc/90/86/73/454908673.db2.gz ARJLZDCKMRNYGB-NSHDSACASA-N 0 2 330.340 3.441 10 5 EGBELN Cc1csc([C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3O)C2)n1 ZINC000179523377 455054742 /nfs/dbraw/zinc/05/47/42/455054742.db2.gz LVMNNRJAGXGXHB-NSHDSACASA-N 0 2 347.396 3.085 10 5 EGBELN CCO[C@H]1C[C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])C1(CC)CC ZINC000280996792 456104492 /nfs/dbraw/zinc/10/44/92/456104492.db2.gz QVQUOMNZJCFKDO-KGLIPLIRSA-N 0 2 336.388 3.014 10 5 EGBELN Cc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1OC(F)F ZINC000353050156 456462809 /nfs/dbraw/zinc/46/28/09/456462809.db2.gz DUOLVHSTUVCBRH-UHFFFAOYSA-N 0 2 338.266 3.463 10 5 EGBELN CC(C)n1cc2ccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cc2n1 ZINC000353906920 456961126 /nfs/dbraw/zinc/96/11/26/456961126.db2.gz HUJKLXOAAVMPGA-UHFFFAOYSA-N 0 2 340.339 3.483 10 5 EGBELN O=C(NCc1ccc(C2CC2)cc1F)c1cccc(O)c1[N+](=O)[O-] ZINC000358894078 457028701 /nfs/dbraw/zinc/02/87/01/457028701.db2.gz LJODFJXFCUVUHY-UHFFFAOYSA-N 0 2 330.315 3.247 10 5 EGBELN CC(C)c1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000467772843 458986287 /nfs/dbraw/zinc/98/62/87/458986287.db2.gz PLIAPKHDLCKYPG-UHFFFAOYSA-N 0 2 336.369 3.225 10 5 EGBELN CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C12CCC2 ZINC000598297150 459853172 /nfs/dbraw/zinc/85/31/72/459853172.db2.gz PKFRQDAWLCRMCI-HUUCEWRRSA-N 0 2 348.399 3.157 10 5 EGBELN CC(C)(C)Oc1ccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000586754237 459863667 /nfs/dbraw/zinc/86/36/67/459863667.db2.gz LDYXIXNVYOMXBI-UHFFFAOYSA-N 0 2 344.367 3.408 10 5 EGBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC2(CCC2)[C@H]1c1ccncc1 ZINC000598575829 459945683 /nfs/dbraw/zinc/94/56/83/459945683.db2.gz UASVBTJLXKGMCH-MRXNPFEDSA-N 0 2 339.351 3.063 10 5 EGBELN COc1ccc([C@H](C)CCNC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC001136784583 1377423051 /nfs/dbraw/zinc/42/30/51/1377423051.db2.gz XRWYSEJMIOVWJL-GFCCVEGCSA-N 0 2 344.367 3.233 10 5 EGBELN CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C12CCC2 ZINC001300848004 1383683371 /nfs/dbraw/zinc/68/33/71/1383683371.db2.gz OEEOFMILLHLQNY-LSDHHAIUSA-N 0 2 348.399 3.157 10 5 EGBELN CCn1c2ccc(F)cc2nc1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354621617 141316172 /nfs/dbraw/zinc/31/61/72/141316172.db2.gz YKFHWJBFNKUUJB-UHFFFAOYSA-N 0 2 344.302 3.061 10 5 EGBELN O=C(Nc1csc(-c2ccccn2)n1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000345991994 164312430 /nfs/dbraw/zinc/31/24/30/164312430.db2.gz COJNLFSFTBXYHT-UHFFFAOYSA-N 0 2 342.336 3.071 10 5 EGBELN O=C(NCCc1cc2ccccc2o1)c1cc(O)ccc1[N+](=O)[O-] ZINC000346417293 164383103 /nfs/dbraw/zinc/38/31/03/164383103.db2.gz ULBOQSZNJLRFMP-UHFFFAOYSA-N 0 2 326.308 3.019 10 5 EGBELN COc1ccc(OC(C)C)c(NC(=O)c2cccc(O)c2[N+](=O)[O-])c1 ZINC000355569409 166247220 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EGBELN O=C1c2ccccc2N[C@@H](c2ccc([N+](=O)[O-])c(O)c2)N1C1CC1 ZINC000133715708 454458862 /nfs/dbraw/zinc/45/88/62/454458862.db2.gz FQKOSZFZVBJCER-MRXNPFEDSA-N 0 2 325.324 3.029 10 5 EGBELN CC(C)c1noc2ncc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc21 ZINC000124970197 454786860 /nfs/dbraw/zinc/78/68/60/454786860.db2.gz DSCPDZAZLJYIFD-UHFFFAOYSA-N 0 2 342.311 3.212 10 5 EGBELN O=C(N[C@H]1CCCc2cc(F)ccc21)c1ccc([N+](=O)[O-])c(O)c1 ZINC000153868097 454841503 /nfs/dbraw/zinc/84/15/03/454841503.db2.gz VKDAAUIQQPAXAJ-AWEZNQCLSA-N 0 2 330.315 3.247 10 5 EGBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1c[nH]nc1-c1ccccc1F ZINC000155958334 455066272 /nfs/dbraw/zinc/06/62/72/455066272.db2.gz GSISOCZQQCFLRH-UHFFFAOYSA-N 0 2 342.286 3.082 10 5 EGBELN CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)C12CCCC2 ZINC000157108982 455165728 /nfs/dbraw/zinc/16/57/28/455165728.db2.gz IHNWPLXDFCQJQG-JKSUJKDBSA-N 0 2 348.399 3.110 10 5 EGBELN Cc1ccc(C[C@@H](C)N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000186868035 455845979 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CCO[C@H]1C[C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])C12CCCCC2 ZINC000373831085 458617324 /nfs/dbraw/zinc/61/73/24/458617324.db2.gz JZVYNJCZOXGMBH-CABCVRRESA-N 0 2 348.399 3.158 10 5 EGBELN COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000597443475 459955579 /nfs/dbraw/zinc/95/55/79/459955579.db2.gz VYNGFMUZYXKBJM-WFASDCNBSA-N 0 2 342.351 3.441 10 5 EGBELN CCCc1c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)[nH]c(C)c1C(C)=O ZINC000183915425 528558461 /nfs/dbraw/zinc/55/84/61/528558461.db2.gz AENBSSTUTHIURL-UHFFFAOYSA-N 0 2 345.355 3.344 10 5 EGBELN CC(C)(CCc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001136578273 1377406218 /nfs/dbraw/zinc/40/62/18/1377406218.db2.gz HEZZWAOSKFZKGJ-UHFFFAOYSA-N 0 2 328.368 3.442 10 5 EGBELN Cc1ccc(NS(=O)(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)cc1F ZINC000020491964 212139343 /nfs/dbraw/zinc/13/93/43/212139343.db2.gz PWWDYBBBKMZAKW-UHFFFAOYSA-N 0 2 349.343 3.324 10 5 EGBELN COc1ccc(S[C@@H](C)C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000346632899 141208347 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Cc1cc(F)cc2[nH]c(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc21 ZINC000340544111 301306108 /nfs/dbraw/zinc/30/61/08/301306108.db2.gz JKJIVSMTMMEXLM-UHFFFAOYSA-N 0 2 329.287 3.482 10 5 EGBELN Cc1cc(C)c(S(=O)(=O)Nc2cccc(C3CC3)n2)cc1[N+](=O)[O-] ZINC000451045093 310157500 /nfs/dbraw/zinc/15/75/00/310157500.db2.gz WWHKRJIABNXDHU-UHFFFAOYSA-N 0 2 347.396 3.285 10 5 EGBELN O=C(NCC[C@@H]1CCc2ccccc21)c1cc(O)ccc1[N+](=O)[O-] ZINC000452317548 310222934 /nfs/dbraw/zinc/22/29/34/310222934.db2.gz QENDPZFSZVMSDS-ZDUSSCGKSA-N 0 2 326.352 3.150 10 5 EGBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1csc(Br)c1 ZINC000089773164 454196021 /nfs/dbraw/zinc/19/60/21/454196021.db2.gz AGVQTPOKSCXTAA-UHFFFAOYSA-N 0 2 343.158 3.377 10 5 EGBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000183911707 323634703 /nfs/dbraw/zinc/63/47/03/323634703.db2.gz SNYUZKWFRFWSHS-UHFFFAOYSA-N 0 2 342.286 3.082 10 5 EGBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ccc(Br)s1 ZINC000155976438 455068697 /nfs/dbraw/zinc/06/86/97/455068697.db2.gz 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ZINC000346321692 457033052 /nfs/dbraw/zinc/03/30/52/457033052.db2.gz IPGXZZMZRCWUHS-INIZCTEOSA-N 0 2 330.340 3.405 10 5 EGBELN O=C(Nc1cnc(-c2ccccc2)nc1)c1cccc(O)c1[N+](=O)[O-] ZINC000342681776 457453049 /nfs/dbraw/zinc/45/30/49/457453049.db2.gz RBFAQPYKJCWEAC-UHFFFAOYSA-N 0 2 336.307 3.010 10 5 EGBELN CC(C)(C)O[C@H]1C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C12CCC2 ZINC000598296323 459851708 /nfs/dbraw/zinc/85/17/08/459851708.db2.gz MFNUWQLWNYDDRN-GJZGRUSLSA-N 0 2 348.399 3.157 10 5 EGBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1Cc2ccccc2C(F)(F)C1 ZINC000586799747 459877709 /nfs/dbraw/zinc/87/77/09/459877709.db2.gz XJACKZTXAKXEGD-UHFFFAOYSA-N 0 2 334.278 3.048 10 5 EGBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC2(CCC2)[C@H]1c1ccncc1 ZINC000598569829 459942251 /nfs/dbraw/zinc/94/22/51/459942251.db2.gz FEJVARSIYDPFNW-MRXNPFEDSA-N 0 2 339.351 3.063 10 5 EGBELN CC[C@@H](OCCNC(=O)c1cccc(O)c1[N+](=O)[O-])c1ccccc1 ZINC000593784742 459985340 /nfs/dbraw/zinc/98/53/40/459985340.db2.gz BHGCGDHUICHGKH-MRXNPFEDSA-N 0 2 344.367 3.198 10 5 EGBELN CC[C@@H](OCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1 ZINC000593788224 459986887 /nfs/dbraw/zinc/98/68/87/459986887.db2.gz YQCDNHBFUMNXFC-QGZVFWFLSA-N 0 2 344.367 3.198 10 5 EGBELN CC[C@@]1(C)Oc2ccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cc2O1 ZINC000356848366 536076867 /nfs/dbraw/zinc/07/68/67/536076867.db2.gz MDXNOKFFECLJKK-KRWDZBQOSA-N 0 2 344.323 3.450 10 5 EGBELN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])ccc1-n1cc[nH+]c1 ZINC001143939659 1378662674 /nfs/dbraw/zinc/66/26/74/1378662674.db2.gz LCZAYBKJEXJVJT-UHFFFAOYSA-N 0 2 338.323 3.047 10 5 EGBELN O=C(N[C@H]1CCOc2c(Cl)cccc21)c1cc(O)ccc1[N+](=O)[O-] ZINC000377809296 303979584 /nfs/dbraw/zinc/97/95/84/303979584.db2.gz NHARXFMAQMNGFC-ZDUSSCGKSA-N 0 2 348.742 3.207 10 5 EGBELN Cc1nc(NS(=O)(=O)c2cccc(Cl)c2C)ccc1[N+](=O)[O-] ZINC000095995721 218500932 /nfs/dbraw/zinc/50/09/32/218500932.db2.gz ZZUHLQDPNHIVAL-UHFFFAOYSA-N 0 2 341.776 3.061 10 5 EGBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc([C@H]2CCCOC2)c1 ZINC000356316016 141340510 /nfs/dbraw/zinc/34/05/10/141340510.db2.gz AKNURGVXFYBXMU-AWEZNQCLSA-N 0 2 342.351 3.447 10 5 EGBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cccn1Cc1cccs1 ZINC000186011905 152997147 /nfs/dbraw/zinc/99/71/47/152997147.db2.gz LZRJXOSNFCZXJE-UHFFFAOYSA-N 0 2 343.364 3.464 10 5 EGBELN O=C(NCc1cc(F)c(Cl)cc1F)c1cc(O)ccc1[N+](=O)[O-] ZINC000355495150 166221300 /nfs/dbraw/zinc/22/13/00/166221300.db2.gz AFFFHSVTAVVPGV-UHFFFAOYSA-N 0 2 342.685 3.162 10 5 EGBELN C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436567571 309761727 /nfs/dbraw/zinc/76/17/27/309761727.db2.gz XXULHXWVMUILJH-KWQFWETISA-N 0 2 332.278 3.103 10 5 EGBELN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1sc(C)nc1C ZINC000088545582 454111762 /nfs/dbraw/zinc/11/17/62/454111762.db2.gz BJUPFPPVBCKTSC-UHFFFAOYSA-N 0 2 341.414 3.031 10 5 EGBELN COc1cccc([C@H]2C[C@@H]2C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000166097247 454907689 /nfs/dbraw/zinc/90/76/89/454907689.db2.gz GSKJWJUSVYBEMZ-KGLIPLIRSA-N 0 2 328.324 3.051 10 5 EGBELN 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Cc1ccc(-n2cccn2)cc1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000355173051 457345751 /nfs/dbraw/zinc/34/57/51/457345751.db2.gz IAWHVMHWAZVYNU-UHFFFAOYSA-N 0 2 338.323 3.047 10 5 EGBELN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CCc2ccccc21 ZINC000404795180 457549262 /nfs/dbraw/zinc/54/92/62/457549262.db2.gz SLCDJVFMIAULTJ-GFCCVEGCSA-N 0 2 326.352 3.102 10 5 EGBELN Cc1cnc(C)c(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC000593283330 459829036 /nfs/dbraw/zinc/82/90/36/459829036.db2.gz WHKFBBJZPSOZGO-UHFFFAOYSA-N 0 2 335.385 3.024 10 5 EGBELN CN(C[C@H]1CCc2ccccc21)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000598472731 459907544 /nfs/dbraw/zinc/90/75/44/459907544.db2.gz ZFAUFRNTUHVVSS-CYBMUJFWSA-N 0 2 326.352 3.102 10 5 EGBELN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CCc2ccccc21 ZINC000593854927 460004286 /nfs/dbraw/zinc/00/42/86/460004286.db2.gz MWZLMRMXPXYVRY-GFCCVEGCSA-N 0 2 326.352 3.102 10 5 EGBELN C[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000594420817 460213110 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CC[C@]1(C)Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)cc2O1 ZINC001154439589 1380277259 /nfs/dbraw/zinc/27/72/59/1380277259.db2.gz CNHBUYQIIOVVKQ-QGZVFWFLSA-N 0 2 344.323 3.450 10 5 EGBELN O=C(Nc1ccc2ccc(Cl)nc2n1)c1ccc([N+](=O)[O-])cc1O ZINC001306881856 1383914547 /nfs/dbraw/zinc/91/45/47/1383914547.db2.gz RFYAIRCFGBVGGE-UHFFFAOYSA-N 0 2 344.714 3.149 10 5 EGBELN Cc1ccc([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)C2)cc1 ZINC000368518357 168367288 /nfs/dbraw/zinc/36/72/88/168367288.db2.gz ILIAFQRYEXOYKG-AWEZNQCLSA-N 0 2 326.352 3.239 10 5 EGBELN O=[N+]([O-])c1cc(NS(=O)(=O)c2cccnc2Cl)ccc1Cl ZINC000022408481 212295561 /nfs/dbraw/zinc/29/55/61/212295561.db2.gz MJOOAMUNSAEFSN-UHFFFAOYSA-N 0 2 348.167 3.097 10 5 EGBELN O=C(Nc1nc(CC(F)(F)F)cs1)c1cc(O)ccc1[N+](=O)[O-] ZINC000341296477 155233046 /nfs/dbraw/zinc/23/30/46/155233046.db2.gz BMMMREMFBUEHAW-UHFFFAOYSA-N 0 2 347.274 3.114 10 5 EGBELN CC(C)c1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000174011562 265017601 /nfs/dbraw/zinc/01/76/01/265017601.db2.gz MHNQERDOMGZZSM-UHFFFAOYSA-N 0 2 333.416 3.037 10 5 EGBELN Cc1ccc2c(c1)[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])CCC2 ZINC000344698236 301902438 /nfs/dbraw/zinc/90/24/38/301902438.db2.gz NGDXTWJJEFCBIL-INIZCTEOSA-N 0 2 326.352 3.416 10 5 EGBELN CCN(CCOc1ccccc1C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000421961530 309348171 /nfs/dbraw/zinc/34/81/71/309348171.db2.gz FTWQKODFIWHNGU-UHFFFAOYSA-N 0 2 344.367 3.150 10 5 EGBELN C[C@]1(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CCc2ccccc2C1 ZINC000483447065 310950856 /nfs/dbraw/zinc/95/08/56/310950856.db2.gz SFLOOAPAMCWOLE-SFHVURJKSA-N 0 2 326.352 3.434 10 5 EGBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cnc(-c2ccncc2)s1 ZINC000180777452 455243647 /nfs/dbraw/zinc/24/36/47/455243647.db2.gz XJGSRNIIIRPUCA-UHFFFAOYSA-N 0 2 342.336 3.071 10 5 EGBELN C[C@@H](CCOc1ccccc1)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183900797 455337396 /nfs/dbraw/zinc/33/73/96/455337396.db2.gz JUALUAYUTVIVIJ-LBPRGKRZSA-N 0 2 330.340 3.344 10 5 EGBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000089531706 454160109 /nfs/dbraw/zinc/16/01/09/454160109.db2.gz BERJLADBFLGFDP-PBHICJAKSA-N 0 2 342.351 3.407 10 5 EGBELN Cc1cc(OCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)ccc1Cl ZINC000183913711 455338077 /nfs/dbraw/zinc/33/80/77/455338077.db2.gz LFMJGIGVIQASRB-UHFFFAOYSA-N 0 2 336.731 3.280 10 5 EGBELN CC(C)Oc1ccccc1CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000343079490 456391739 /nfs/dbraw/zinc/39/17/39/456391739.db2.gz QCKPMCLFAHWTKT-UHFFFAOYSA-N 0 2 330.340 3.018 10 5 EGBELN CC(C)(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000353078266 456475720 /nfs/dbraw/zinc/47/57/20/456475720.db2.gz PPVAEJAYLKRTLP-UHFFFAOYSA-N 0 2 332.331 3.147 10 5 EGBELN COc1c(C)cc(C)cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000337763920 456531193 /nfs/dbraw/zinc/53/11/93/456531193.db2.gz RBQCBZMYYQQZGR-UHFFFAOYSA-N 0 2 336.369 3.021 10 5 EGBELN O=C(NCc1ccc(C(F)(F)F)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000326777760 456698969 /nfs/dbraw/zinc/69/89/69/456698969.db2.gz SWBBOFMHOIGPOX-UHFFFAOYSA-N 0 2 340.257 3.249 10 5 EGBELN O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000354011189 457006728 /nfs/dbraw/zinc/00/67/28/457006728.db2.gz RQDKAGADJKQEOS-NXEZZACHSA-N 0 2 346.305 3.399 10 5 EGBELN CC(C)C[C@@H](C)n1nccc1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000426887075 457923375 /nfs/dbraw/zinc/92/33/75/457923375.db2.gz SALBYYIVKHMKQE-LLVKDONJSA-N 0 2 332.360 3.356 10 5 EGBELN O=C(NC[C@@H]1CCCCC(F)(F)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000358795364 458222424 /nfs/dbraw/zinc/22/24/24/458222424.db2.gz KUZKZMGTLYHCAF-SNVBAGLBSA-N 0 2 328.315 3.246 10 5 EGBELN Cc1ccccc1C[C@@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000447065127 458259846 /nfs/dbraw/zinc/25/98/46/458259846.db2.gz FNAFWYDEYLWAQN-CYBMUJFWSA-N 0 2 328.368 3.312 10 5 EGBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(C(F)(F)F)c(O)c1 ZINC000619582799 460390829 /nfs/dbraw/zinc/39/08/29/460390829.db2.gz AQMLFLTVPZURKT-UHFFFAOYSA-N 0 2 342.229 3.277 10 5 EGBELN CCOC(=O)c1nc(/C=C\c2ccc([N+](=O)[O-])c(O)c2)sc1C ZINC000221940543 1296128798 /nfs/dbraw/zinc/12/87/98/1296128798.db2.gz WYWRRCMOWLKHKV-ALCCZGGFSA-N 0 2 334.353 3.412 10 5 EGBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000899423911 1317031549 /nfs/dbraw/zinc/03/15/49/1317031549.db2.gz BDFTVUSNAOJEGZ-XPTSAGLGSA-N 0 2 344.289 3.105 10 5 EGBELN CCO[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C12CCCCC2 ZINC001293663897 1382329549 /nfs/dbraw/zinc/32/95/49/1382329549.db2.gz MHYGQNSKWYKZGF-CVEARBPZSA-N 0 2 348.399 3.158 10 5 EGBELN O=[N+]([O-])c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)nc1 ZINC000037975684 213178416 /nfs/dbraw/zinc/17/84/16/213178416.db2.gz SUDWVVKMFAXNDZ-UHFFFAOYSA-N 0 2 348.167 3.097 10 5 EGBELN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3ncccc3c2)s1 ZINC000095447435 218392102 /nfs/dbraw/zinc/39/21/02/218392102.db2.gz OJWQXXDKNDCVNK-UHFFFAOYSA-N 0 2 335.366 3.005 10 5 EGBELN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccoc1C1CC1 ZINC000336925310 154241167 /nfs/dbraw/zinc/24/11/67/154241167.db2.gz KXDYWIFBSLVRPI-UHFFFAOYSA-N 0 2 339.311 3.103 10 5 EGBELN O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)c1cccc(O)c1[N+](=O)[O-] ZINC000343884297 164058089 /nfs/dbraw/zinc/05/80/89/164058089.db2.gz ZXQBKSJQEMPUAK-UHFFFAOYSA-N 0 2 348.265 3.367 10 5 EGBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cncnc1-c1ccccc1 ZINC000355576289 166248942 /nfs/dbraw/zinc/24/89/42/166248942.db2.gz OHLRSWXLQKSUBY-UHFFFAOYSA-N 0 2 336.307 3.010 10 5 EGBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(OCC2CCCC2)CC1 ZINC000367520298 168236468 /nfs/dbraw/zinc/23/64/68/168236468.db2.gz VJICFWFNTNSYSW-UHFFFAOYSA-N 0 2 348.399 3.112 10 5 EGBELN Cc1ccc(NS(=O)(=O)c2c(F)cccc2Cl)cc1[N+](=O)[O-] ZINC000125264522 307554615 /nfs/dbraw/zinc/55/46/15/307554615.db2.gz CJKYGQOKIXOAJJ-UHFFFAOYSA-N 0 2 344.751 3.497 10 5 EGBELN C[C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1OCCc2sccc21 ZINC000293517316 308138148 /nfs/dbraw/zinc/13/81/48/308138148.db2.gz PZGGEVNAKLBUBJ-VFZGTOFNSA-N 0 2 348.380 3.251 10 5 EGBELN C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000296739199 308461928 /nfs/dbraw/zinc/46/19/28/308461928.db2.gz BKDFZGPRACTXCU-IUCAKERBSA-N 0 2 332.278 3.103 10 5 EGBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@H](CC(F)(F)F)C1 ZINC000421940902 309347204 /nfs/dbraw/zinc/34/72/04/309347204.db2.gz BTWVGPLTTBAUKL-SECBINFHSA-N 0 2 332.278 3.105 10 5 EGBELN O=C(CO[C@H]1CCCc2ccccc21)Nc1cc([N+](=O)[O-])ccc1O ZINC000435797009 309740767 /nfs/dbraw/zinc/74/07/67/309740767.db2.gz XQKSTKBZQSQKJC-KRWDZBQOSA-N 0 2 342.351 3.333 10 5 EGBELN Cc1ccc(C2(CNC(=O)c3cccc(O)c3[N+](=O)[O-])CC2)c(C)c1 ZINC000452731591 310239231 /nfs/dbraw/zinc/23/92/31/310239231.db2.gz ONTWRJTYVOTDNR-UHFFFAOYSA-N 0 2 340.379 3.379 10 5 EGBELN O=C(NCCc1ccc2ccccc2c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000505264320 312018168 /nfs/dbraw/zinc/01/81/68/312018168.db2.gz BNRGROICKNXBBA-UHFFFAOYSA-N 0 2 336.347 3.426 10 5 EGBELN O=C(NCc1cc2c(s1)CCCC2)c1cc(O)ccc1[N+](=O)[O-] ZINC000552025497 315189533 /nfs/dbraw/zinc/18/95/33/315189533.db2.gz GDOXOCHHYNNEBL-UHFFFAOYSA-N 0 2 332.381 3.171 10 5 EGBELN O=C(COc1ccc2ccccc2c1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183916903 323634440 /nfs/dbraw/zinc/63/44/40/323634440.db2.gz LRWVOKJCPZFAEN-UHFFFAOYSA-N 0 2 338.319 3.471 10 5 EGBELN CCCOCc1nc(=O)c2sc(-c3cccc([N+](=O)[O-])c3)cc2[nH]1 ZINC000058381917 454196370 /nfs/dbraw/zinc/19/63/70/454196370.db2.gz YYGHPWNHIUTDGZ-UHFFFAOYSA-N 0 2 345.380 3.486 10 5 EGBELN CC(C)Oc1ccc(F)cc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000183551547 455305740 /nfs/dbraw/zinc/30/57/40/455305740.db2.gz JOODDCGNANAPRZ-UHFFFAOYSA-N 0 2 334.303 3.479 10 5 EGBELN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)n1 ZINC000191881002 455527940 /nfs/dbraw/zinc/52/79/40/455527940.db2.gz AKQJAQSCSBDJLP-UHFFFAOYSA-N 0 2 345.142 3.076 10 5 EGBELN COc1cccc([C@@H]2CCCN2C(=O)c2cccc(O)c2[N+](=O)[O-])c1 ZINC000281084708 456129511 /nfs/dbraw/zinc/12/95/11/456129511.db2.gz DDLFXPTVEUCPAK-HNNXBMFYSA-N 0 2 342.351 3.286 10 5 EGBELN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@](F)(c2ccccc2)C1 ZINC000374792849 457708399 /nfs/dbraw/zinc/70/83/99/457708399.db2.gz JQAWODKIGDESEB-QGZVFWFLSA-N 0 2 330.315 3.011 10 5 EGBELN Cc1ccccc1[C@]1(F)CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000436511757 458318633 /nfs/dbraw/zinc/31/86/33/458318633.db2.gz JHSWCYVXQNKLDH-SFHVURJKSA-N 0 2 344.342 3.320 10 5 EGBELN Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])[C@H](C)C2 ZINC000598265492 459843493 /nfs/dbraw/zinc/84/34/93/459843493.db2.gz ZKOIMEMAJWMCRZ-BZNIZROVSA-N 0 2 326.352 3.272 10 5 EGBELN CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C12CCC2 ZINC000598297152 459852846 /nfs/dbraw/zinc/85/28/46/459852846.db2.gz PKFRQDAWLCRMCI-LSDHHAIUSA-N 0 2 348.399 3.157 10 5 EGBELN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC2(CCC2)[C@H]1c1ccncc1 ZINC000598574408 459944810 /nfs/dbraw/zinc/94/48/10/459944810.db2.gz QKNDDSCAPAIGPC-MRXNPFEDSA-N 0 2 339.351 3.063 10 5 EGBELN C[C@]1(c2cccc(F)c2)CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000593761284 459978280 /nfs/dbraw/zinc/97/82/80/459978280.db2.gz JRIHZCSPKMRVPH-SFHVURJKSA-N 0 2 344.342 3.243 10 5 EGBELN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CCc2ccccc21 ZINC000597948183 460123344 /nfs/dbraw/zinc/12/33/44/460123344.db2.gz LYOHZTYUMCRBHJ-UHFFFAOYSA-N 0 2 340.379 3.277 10 5 EGBELN CC1(C)C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)c2ccccc21 ZINC001294743096 1382489935 /nfs/dbraw/zinc/48/99/35/1382489935.db2.gz VSYBCGXFIHLEND-HNNXBMFYSA-N 0 2 326.352 3.453 10 5 EGBELN Cc1ccc2oc(CNC(=O)c3ccc([N+](=O)[O-])cc3O)cc2c1 ZINC001300881870 1383684081 /nfs/dbraw/zinc/68/40/81/1383684081.db2.gz RVWINVROUTWYOG-UHFFFAOYSA-N 0 2 326.308 3.285 10 5 EGBELN