smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNc1ccc(/C=C/c2ncc(C(=O)[O-])c(C(C)C)n2)cc1[N+](=O)[O-] ZINC000069927746 203064336 /nfs/dbraw/zinc/06/43/36/203064336.db2.gz YSNWSIQJNIQCJG-FNORWQNLSA-N -1 0 342.355 3.419 10 5 EGBERM Cc1ccc2c(CCNC(=O)c3cc([O-])ccc3[N+](=O)[O-])c[nH]c2c1 ZINC000351806134 144308702 /nfs/dbraw/zinc/30/87/02/144308702.db2.gz DJNCFDMPRHDGRH-UHFFFAOYSA-N -1 0 339.351 3.063 10 5 EGBERM C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000341222753 155212571 /nfs/dbraw/zinc/21/25/71/155212571.db2.gz WNZLQYAGKIZMQQ-SECBINFHSA-N -1 0 336.294 3.412 10 5 EGBERM O=C(NCC1(c2ccc(F)cc2F)CC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000346851825 156165042 /nfs/dbraw/zinc/16/50/42/156165042.db2.gz RCVCGIHQYRSVEH-UHFFFAOYSA-N -1 0 348.305 3.040 10 5 EGBERM CCSc1cccc(F)c1[N-]C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000362186627 157063193 /nfs/dbraw/zinc/06/31/93/157063193.db2.gz ZMPYXHLWTINNEO-UHFFFAOYSA-N -1 0 338.364 3.315 10 5 EGBERM O=C(Nc1cccc(COCC2CC2)c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000346329674 164369595 /nfs/dbraw/zinc/36/95/95/164369595.db2.gz KTUJVRDPDDSCIO-UHFFFAOYSA-N -1 0 342.351 3.479 10 5 EGBERM CC[C@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000346363870 164375037 /nfs/dbraw/zinc/37/50/37/164375037.db2.gz FGCDUEGIWIYBTF-AWEZNQCLSA-N -1 0 336.294 3.460 10 5 EGBERM O=C(N[C@@H]1CC[C@H](Cc2ccccc2)C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000354996529 166082035 /nfs/dbraw/zinc/08/20/35/166082035.db2.gz FVKGWVNCFFGIPC-HUUCEWRRSA-N -1 0 340.379 3.442 10 5 EGBERM CC(=O)Nc1cc(Cl)ccc1NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000355572705 166247651 /nfs/dbraw/zinc/24/76/51/166247651.db2.gz XYPRUZNLODVWAZ-UHFFFAOYSA-N -1 0 349.730 3.165 10 5 EGBERM O=C(N[C@H]1CCCc2cc(F)ccc21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119442699 307495569 /nfs/dbraw/zinc/49/55/69/307495569.db2.gz VCINXKPIYOXHHN-AWEZNQCLSA-N -1 0 330.315 3.247 10 5 EGBERM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2c(F)cccc2Cl)cc1 ZINC000153546343 307775508 /nfs/dbraw/zinc/77/55/08/307775508.db2.gz NXDMCGPLGOTRKD-UHFFFAOYSA-N -1 0 330.724 3.188 10 5 EGBERM Cn1cc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c(C2CCCCC2)n1 ZINC000295842591 308366092 /nfs/dbraw/zinc/36/60/92/308366092.db2.gz ROAPLMYUUAPKND-UHFFFAOYSA-N -1 0 344.371 3.334 10 5 EGBERM Cc1c(CN2CC[C@@H](C(=O)[O-])c3ccccc32)cccc1[N+](=O)[O-] ZINC000325405162 308770048 /nfs/dbraw/zinc/77/00/48/308770048.db2.gz RFEVXYOXRZZGNK-OAHLLOKOSA-N -1 0 326.352 3.482 10 5 EGBERM CC(C)C1(c2ccccc2)CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000412797861 309003279 /nfs/dbraw/zinc/00/32/79/309003279.db2.gz UTEODTVEYVKWNA-UHFFFAOYSA-N -1 0 340.379 3.350 10 5 EGBERM Cc1ccccc1[C@H]1C[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000436495030 309757297 /nfs/dbraw/zinc/75/72/97/309757297.db2.gz NEANKOZHZMYADM-HDJSIYSDSA-N -1 0 326.352 3.285 10 5 EGBERM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N(CC(F)F)CC1CCC1 ZINC000564805396 316209168 /nfs/dbraw/zinc/20/91/68/316209168.db2.gz YHKOXSHVWATRAA-UHFFFAOYSA-N -1 0 348.733 3.461 10 5 EGBERM CC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1Cl ZINC000182802637 323576175 /nfs/dbraw/zinc/57/61/75/323576175.db2.gz UUMPCRVWFWKDSY-UHFFFAOYSA-N -1 0 334.715 3.409 10 5 EGBERM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000183907262 323634057 /nfs/dbraw/zinc/63/40/57/323634057.db2.gz LMEPSOZHRZSUPF-NXEZZACHSA-N -1 0 334.278 3.321 10 5 EGBERM C[C@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H](c2ccsc2)O1 ZINC000578991540 325046494 /nfs/dbraw/zinc/04/64/94/325046494.db2.gz DUVIEOUHTBQADU-BONVTDFDSA-N -1 0 348.380 3.321 10 5 EGBERM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@@H](c3cccc(Cl)c3)C2)n1 ZINC000581729129 325386829 /nfs/dbraw/zinc/38/68/29/325386829.db2.gz KIDCRUBZKSDCSS-LLVKDONJSA-N -1 0 347.758 3.335 10 5 EGBERM Cc1ccc(C)c([N-]c2c([N+](=O)[O-])nn(-c3ccccc3C)[n+]2[O-])c1 ZINC000004905561 452824876 /nfs/dbraw/zinc/82/48/76/452824876.db2.gz AKWWZSHNALGBNS-UHFFFAOYSA-N -1 0 339.355 3.083 10 5 EGBERM CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183919937 455339524 /nfs/dbraw/zinc/33/95/24/455339524.db2.gz DFODDOUVSQQKMB-CQSZACIVSA-N -1 0 334.303 3.236 10 5 EGBERM CCC[C@@H]1CCC[C@@H]1C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600872464 460626327 /nfs/dbraw/zinc/62/63/27/460626327.db2.gz CGNMEJVSCKBALF-HNJNHCNJSA-N -1 0 348.399 3.227 10 5 EGBERM Cc1[nH]nc(C(C)C)c1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000095939394 454233990 /nfs/dbraw/zinc/23/39/90/454233990.db2.gz RJRQBNSVCOQVJO-UHFFFAOYSA-N -1 0 338.751 3.361 10 5 EGBERM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)cc1F ZINC000095978081 454247399 /nfs/dbraw/zinc/24/73/99/454247399.db2.gz FYEJUOOVTNZSMO-UHFFFAOYSA-N -1 0 335.316 3.016 10 5 EGBERM CC(C)(NC(=O)c1c([O-])cc(F)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000092424067 454564856 /nfs/dbraw/zinc/56/48/56/454564856.db2.gz JHVROMCDKCAQDK-UHFFFAOYSA-N -1 0 336.294 3.244 10 5 EGBERM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC=C(c2cccs2)CC1 ZINC000164688314 454887668 /nfs/dbraw/zinc/88/76/68/454887668.db2.gz BUPAJTDYQSTTBJ-UHFFFAOYSA-N -1 0 330.365 3.291 10 5 EGBERM COc1cccc(Cl)c1CC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166125513 454908536 /nfs/dbraw/zinc/90/85/36/454908536.db2.gz PTKUZIKPQBWRRZ-UHFFFAOYSA-N -1 0 336.731 3.144 10 5 EGBERM COc1ccccc1[C@@H](C)CC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000155956110 455066377 /nfs/dbraw/zinc/06/63/77/455066377.db2.gz KZJKOHGOMAFNLU-NSHDSACASA-N -1 0 330.340 3.441 10 5 EGBERM O=C(Cc1coc(-c2cccs2)n1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000155964429 455067179 /nfs/dbraw/zinc/06/71/79/455067179.db2.gz BSZHTMSKMKDGPV-UHFFFAOYSA-N -1 0 345.336 3.198 10 5 EGBERM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183895529 455336346 /nfs/dbraw/zinc/33/63/46/455336346.db2.gz LBVAKWNOQYFRFD-VIFPVBQESA-N -1 0 336.731 3.360 10 5 EGBERM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1c[nH]nc1-c1ccc(F)cc1 ZINC000182089902 455432700 /nfs/dbraw/zinc/43/27/00/455432700.db2.gz MJLFHUAUPRKZEQ-UHFFFAOYSA-N -1 0 342.286 3.082 10 5 EGBERM CC(C)c1csc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000194398222 455837132 /nfs/dbraw/zinc/83/71/32/455837132.db2.gz PASAXYHFZUJHQO-UHFFFAOYSA-N -1 0 333.416 3.037 10 5 EGBERM CCC(CC)c1cc(CNC(=O)c2cccc([O-])c2[N+](=O)[O-])on1 ZINC000280793645 456054018 /nfs/dbraw/zinc/05/40/18/456054018.db2.gz OOZCPGOQSLDXMS-UHFFFAOYSA-N -1 0 333.344 3.122 10 5 EGBERM CC1(C)Oc2ccc(NC(=O)c3cccc([O-])c3[N+](=O)[O-])cc2O1 ZINC000343069549 456384867 /nfs/dbraw/zinc/38/48/67/456384867.db2.gz BYFMNLNVSPLTOY-UHFFFAOYSA-N -1 0 330.296 3.060 10 5 EGBERM COc1ccc2cc(NC(=O)c3cccc([O-])c3[N+](=O)[O-])ccc2n1 ZINC000343271439 456498665 /nfs/dbraw/zinc/49/86/65/456498665.db2.gz HSDBEMHDVZBAJK-UHFFFAOYSA-N -1 0 339.307 3.110 10 5 EGBERM Cc1ccccc1[C@@]1(F)CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000337725456 456508831 /nfs/dbraw/zinc/50/88/31/456508831.db2.gz SXCNUYLIVVCWHG-GOSISDBHSA-N -1 0 344.342 3.320 10 5 EGBERM Cc1ccc(C[C@H]2CCCN2C(=O)c2cccc([O-])c2[N+](=O)[O-])cc1 ZINC000343444799 456626612 /nfs/dbraw/zinc/62/66/12/456626612.db2.gz IQXXGGPTAOVFBM-OAHLLOKOSA-N -1 0 340.379 3.456 10 5 EGBERM CCO[C@@H](CCNC(=O)c1cc([O-])ccc1[N+](=O)[O-])C1CCCC1 ZINC000353646337 456826634 /nfs/dbraw/zinc/82/66/34/456826634.db2.gz CYMRBVSNBLSYKJ-INIZCTEOSA-N -1 0 336.388 3.016 10 5 EGBERM Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000354704067 457313659 /nfs/dbraw/zinc/31/36/59/457313659.db2.gz VWJTYZVGSSRQRN-SNVBAGLBSA-N -1 0 346.387 3.051 10 5 EGBERM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCc2cc(Cl)ccc2C1 ZINC000355201204 457346777 /nfs/dbraw/zinc/34/67/77/457346777.db2.gz RPWYYYFIAOPNBF-UHFFFAOYSA-N -1 0 332.743 3.152 10 5 EGBERM Cc1ccn(-c2ccccc2NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC000357349813 457466218 /nfs/dbraw/zinc/46/62/18/457466218.db2.gz PIJCBYOMODSXLK-UHFFFAOYSA-N -1 0 338.323 3.047 10 5 EGBERM O=C(N[C@@H](c1ccccc1)c1ccncc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356369763 457589246 /nfs/dbraw/zinc/58/92/46/457589246.db2.gz VXYSWTVAQPPZEW-SFHVURJKSA-N -1 0 349.346 3.215 10 5 EGBERM O=C(N[C@H](c1ccccc1)c1ccncc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356369761 457589562 /nfs/dbraw/zinc/58/95/62/457589562.db2.gz VXYSWTVAQPPZEW-GOSISDBHSA-N -1 0 349.346 3.215 10 5 EGBERM CCCOc1nc(C)ccc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000358633613 458120307 /nfs/dbraw/zinc/12/03/07/458120307.db2.gz JXRIDOCLIZUGFX-UHFFFAOYSA-N -1 0 331.328 3.045 10 5 EGBERM O=C(NCc1ccc(-c2cccnc2)cc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436872460 458397139 /nfs/dbraw/zinc/39/71/39/458397139.db2.gz MYMBVJMNSRWZBK-UHFFFAOYSA-N -1 0 349.346 3.292 10 5 EGBERM C[C@@H](c1c(F)cccc1F)N(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436945954 458411304 /nfs/dbraw/zinc/41/13/04/458411304.db2.gz HPLDFJZFFSTXCA-VIFPVBQESA-N -1 0 336.294 3.412 10 5 EGBERM C[C@@H](c1c(F)cccc1F)N(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436954268 458412411 /nfs/dbraw/zinc/41/24/11/458412411.db2.gz FZWCMHOAJNZZCN-VIFPVBQESA-N -1 0 336.294 3.412 10 5 EGBERM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000461114941 458549289 /nfs/dbraw/zinc/54/92/89/458549289.db2.gz UVGPHQPNJWUTJT-UHFFFAOYSA-N -1 0 332.790 3.419 10 5 EGBERM CCO[C@@H]1C[C@@H](N(C)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C12CCCC2 ZINC000547799184 458795167 /nfs/dbraw/zinc/79/51/67/458795167.db2.gz UQZWGJVOIPHLGZ-HZPDHXFCSA-N -1 0 348.399 3.110 10 5 EGBERM CC(C)c1n[n-]c(=NCCc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000477082700 459030011 /nfs/dbraw/zinc/03/00/11/459030011.db2.gz JIYMPBLTKAEOIC-UHFFFAOYSA-N -1 0 326.809 3.300 10 5 EGBERM C[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594540995 459084483 /nfs/dbraw/zinc/08/44/83/459084483.db2.gz OQVCHZGSFWBDQO-UJNFCWOMSA-N -1 0 327.768 3.191 10 5 EGBERM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cc(-c2ccoc2)[nH]n1 ZINC000542752378 459588835 /nfs/dbraw/zinc/58/88/35/459588835.db2.gz SCAUJUQXYPYBJH-UHFFFAOYSA-N -1 0 348.702 3.189 10 5 EGBERM Cc1ccc(CN(CC2CC2)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)cn1 ZINC000592831268 459700391 /nfs/dbraw/zinc/70/03/91/459700391.db2.gz MKFHLPWJNWFYFP-UHFFFAOYSA-N -1 0 341.367 3.056 10 5 EGBERM O=C([O-])[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])Cc2ccccc21 ZINC000592981024 459729891 /nfs/dbraw/zinc/72/98/91/459729891.db2.gz SFEKCKBWCPWWHS-OAHLLOKOSA-N -1 0 349.346 3.331 10 5 EGBERM Cc1cccc([C@@H](C)S(=O)(=O)Cc2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000593202976 459806672 /nfs/dbraw/zinc/80/66/72/459806672.db2.gz BDAJKYRQMAJDSS-GFCCVEGCSA-N -1 0 335.381 3.285 10 5 EGBERM CC[C@H](c1ccccc1)S(=O)(=O)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000593203285 459807625 /nfs/dbraw/zinc/80/76/25/459807625.db2.gz KGPMLPHUMVLXSF-MRXNPFEDSA-N -1 0 335.381 3.367 10 5 EGBERM CC(C)(C)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000585728180 459838113 /nfs/dbraw/zinc/83/81/13/459838113.db2.gz IGVOONMAJJFYRC-CHWSQXEVSA-N -1 0 346.383 3.498 10 5 EGBERM C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CCc2ccccc21 ZINC000593854929 460004451 /nfs/dbraw/zinc/00/44/51/460004451.db2.gz MWZLMRMXPXYVRY-LBPRGKRZSA-N -1 0 326.352 3.102 10 5 EGBERM C[C@H]1CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCc2ccccc21 ZINC000593856460 460004762 /nfs/dbraw/zinc/00/47/62/460004762.db2.gz XFOXARGIGXLNLV-LBPRGKRZSA-N -1 0 326.352 3.102 10 5 EGBERM Cc1cnc(C)c([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)c1 ZINC000598734263 460011311 /nfs/dbraw/zinc/01/13/11/460011311.db2.gz DUZXEGGTKMQYEZ-UHFFFAOYSA-N -1 0 335.385 3.024 10 5 EGBERM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CCc2ccc(F)cc21 ZINC000593887596 460011715 /nfs/dbraw/zinc/01/17/15/460011715.db2.gz WPWTYULQGMTAIP-NSHDSACASA-N -1 0 344.342 3.242 10 5 EGBERM CCCOc1cncc(NCc2cc(OC)c(O)cc2[N+](=O)[O-])c1 ZINC000598995045 460122193 /nfs/dbraw/zinc/12/21/93/460122193.db2.gz MZRBMGTVYJCGCE-UHFFFAOYSA-N -1 0 333.344 3.105 10 5 EGBERM O=C([O-])C1CCC(NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000864120285 1329599571 /nfs/dbraw/zinc/59/95/71/1329599571.db2.gz GPTVYMWNNDLKNG-UHFFFAOYSA-N -1 0 342.351 3.121 10 5 EGBERM O=C([O-])c1ccnc(N2CCC[C@@](F)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000864514550 1329620746 /nfs/dbraw/zinc/62/07/46/1329620746.db2.gz RJBPASDMEBCNTD-KRWDZBQOSA-N -1 0 345.330 3.153 10 5 EGBERM Cn1cccc1[C@@H]1CCCCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001136040873 1377310271 /nfs/dbraw/zinc/31/02/71/1377310271.db2.gz GQSLDKGZAHMVGR-HNNXBMFYSA-N -1 0 343.383 3.396 10 5 EGBERM O=C(N[C@H]1CCc2c1cccc2Cl)c1cc([N+](=O)[O-])ccc1[O-] ZINC001142179504 1378418189 /nfs/dbraw/zinc/41/81/89/1378418189.db2.gz QFULJVVGSNPNAL-AWEZNQCLSA-N -1 0 332.743 3.371 10 5 EGBERM O=C(Nc1cc(F)ccc1O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001295973250 1382888076 /nfs/dbraw/zinc/88/80/76/1382888076.db2.gz YAJPHCCGIGGEQX-UHFFFAOYSA-N -1 0 326.667 3.051 10 5 EGBERM CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1cc(F)ccc1OC ZINC001178255080 1386173894 /nfs/dbraw/zinc/17/38/94/1386173894.db2.gz ACELDIANPARHFQ-ZDUSSCGKSA-N -1 0 348.330 3.329 10 5 EGBERM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)c(C)c1 ZINC000021631740 212234683 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348.399 3.158 10 5 EGBERM COc1cccc(N[C@H](CCC(=O)[O-])Cc2ccccc2)c1[N+](=O)[O-] ZINC000263540690 153997269 /nfs/dbraw/zinc/99/72/69/153997269.db2.gz CNBWUPMZEWKCLF-CQSZACIVSA-N -1 0 344.367 3.491 10 5 EGBERM O=C(Nc1cccc(OC(F)(F)F)c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000326903933 163084575 /nfs/dbraw/zinc/08/45/75/163084575.db2.gz LELJWNRGLFVNNX-UHFFFAOYSA-N -1 0 342.229 3.451 10 5 EGBERM O=[N+]([O-])c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000037975701 304802498 /nfs/dbraw/zinc/80/24/98/304802498.db2.gz HEMCLRKNQIGXFB-UHFFFAOYSA-N -1 0 330.724 3.188 10 5 EGBERM Cc1nn(-c2ccccc2)cc1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000155993093 307825028 /nfs/dbraw/zinc/82/50/28/307825028.db2.gz FLFNBKSGJJIQPO-UHFFFAOYSA-N -1 0 338.323 3.047 10 5 EGBERM CC(C)C[C@@H](CNc1ccc([N+](=O)[O-])cc1OC(F)F)C(=O)[O-] ZINC000424377332 309440913 /nfs/dbraw/zinc/44/09/13/309440913.db2.gz RBHKRWQKRXHWPF-VIFPVBQESA-N -1 0 332.303 3.355 10 5 EGBERM O=C(N[C@@H](c1ccco1)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436798599 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325.390 3.335 10 5 EGBERM Cc1cc(C(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)sc1C ZINC000600874655 460626167 /nfs/dbraw/zinc/62/61/67/460626167.db2.gz JWKKNEHFUBBUGM-INIZCTEOSA-N -1 0 348.380 3.003 10 5 EGBERM Cc1nc(C)c([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)s1 ZINC000088545662 454111616 /nfs/dbraw/zinc/11/16/16/454111616.db2.gz JYDNNCULVFFRRE-UHFFFAOYSA-N -1 0 341.414 3.086 10 5 EGBERM O=C([O-])c1cc(C(=O)N2CCC[C@@H](C3CCC3)CC2)cc([N+](=O)[O-])c1 ZINC000600879344 460627604 /nfs/dbraw/zinc/62/76/04/460627604.db2.gz VYCRVDJJOHUJEB-CYBMUJFWSA-N -1 0 346.383 3.335 10 5 EGBERM CO[C@H](C)c1nc(C)c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000092546214 454584391 /nfs/dbraw/zinc/58/43/91/454584391.db2.gz PMRIJFSIGYMLHU-MRVPVSSYSA-N -1 0 337.357 3.025 10 5 EGBERM O=[N+]([O-])c1ccc([O-])cc1CN(CCO)[C@@H]1CCCc2ccccc21 ZINC000093388306 454709599 /nfs/dbraw/zinc/70/95/99/454709599.db2.gz SNFJIVPMQJXGBP-LJQANCHMSA-N -1 0 342.395 3.172 10 5 EGBERM Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000137303507 454775471 /nfs/dbraw/zinc/77/54/71/454775471.db2.gz WVDZHMKQOGMUKF-JTQLQIEISA-N -1 0 346.387 3.051 10 5 EGBERM COc1c(C)cc(CN(C)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1C ZINC000164466895 454882931 /nfs/dbraw/zinc/88/29/31/454882931.db2.gz KAYWNCSQOQOVPU-UHFFFAOYSA-N -1 0 344.367 3.198 10 5 EGBERM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1sccc1-n1cccc1 ZINC000166091835 454907051 /nfs/dbraw/zinc/90/70/51/454907051.db2.gz CVZQQQMFVBLFIM-UHFFFAOYSA-N -1 0 329.337 3.405 10 5 EGBERM CC[C@H](C)Oc1cc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)ccn1 ZINC000166110709 454907734 /nfs/dbraw/zinc/90/77/34/454907734.db2.gz NGENJMKRDNJXOR-JTQLQIEISA-N -1 0 331.328 3.125 10 5 EGBERM CCC(CC)n1nc(C)cc1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166189788 454908207 /nfs/dbraw/zinc/90/82/07/454908207.db2.gz YMWYMDWEOPFDAY-UHFFFAOYSA-N -1 0 332.360 3.419 10 5 EGBERM O=C([O-])c1cc([N+](=O)[O-])cnc1C=Cc1c[nH]c(-c2ccccc2)n1 ZINC000172816704 455191951 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ZINC000594733643 459144056 /nfs/dbraw/zinc/14/40/56/459144056.db2.gz AQCZHSFKBKYJCG-PBHICJAKSA-N -1 0 348.399 3.074 10 5 EGBERM O=C([O-])c1ccnc(N2CCC[C@@H]2Cc2cccc(F)c2)c1[N+](=O)[O-] ZINC000584116095 459659977 /nfs/dbraw/zinc/65/99/77/459659977.db2.gz IZMMCUROHXZAHU-CYBMUJFWSA-N -1 0 345.330 3.039 10 5 EGBERM CC(C)n1ncc2c1C[C@@H](Nc1cc(C(=O)[O-])ccc1[N+](=O)[O-])CC2 ZINC000573970143 459762999 /nfs/dbraw/zinc/76/29/99/459762999.db2.gz BJSWXRGKJPXRTE-ZDUSSCGKSA-N -1 0 344.371 3.040 10 5 EGBERM CC(C)(C)O[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C12CCC2 ZINC000598297148 459852979 /nfs/dbraw/zinc/85/29/79/459852979.db2.gz PKFRQDAWLCRMCI-GJZGRUSLSA-N -1 0 348.399 3.157 10 5 EGBERM O=C([N-]c1cnoc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000618645140 460102277 /nfs/dbraw/zinc/10/22/77/460102277.db2.gz ZHYCJXDOOYFYKL-UHFFFAOYSA-N -1 0 339.307 3.414 10 5 EGBERM CC1(C)CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCc2ccccc21 ZINC000597947654 460124077 /nfs/dbraw/zinc/12/40/77/460124077.db2.gz JFKPWNGBRXOEBD-UHFFFAOYSA-N -1 0 340.379 3.277 10 5 EGBERM COc1ccc2c(c1)[C@@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)CCC2 ZINC000594338010 460190604 /nfs/dbraw/zinc/19/06/04/460190604.db2.gz WZEZMOHZCKRHLQ-AWEZNQCLSA-N -1 0 342.351 3.368 10 5 EGBERM CC(C)(C)c1nc(CC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cs1 ZINC000183910000 526857295 /nfs/dbraw/zinc/85/72/95/526857295.db2.gz DAXFIVKYSYCPOI-UHFFFAOYSA-N -1 0 335.385 3.236 10 5 EGBERM CN(CCCCc1ccccc1)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000350553424 536341689 /nfs/dbraw/zinc/34/16/89/536341689.db2.gz DYRLCXXNQDTXSX-UHFFFAOYSA-N -1 0 328.368 3.395 10 5 EGBERM O=C([O-])[C@]12CCC[C@H]1N(c1ccc([N+](=O)[O-])cc1C(F)(F)F)CC2 ZINC000871867719 1296579979 /nfs/dbraw/zinc/57/99/79/1296579979.db2.gz KILYDCBDZILDHY-OCCSQVGLSA-N -1 0 344.289 3.447 10 5 EGBERM O=C([O-])C1(CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCCC1 ZINC000864121238 1329599452 /nfs/dbraw/zinc/59/94/52/1329599452.db2.gz AFPQYVUCSNHSMR-UHFFFAOYSA-N -1 0 342.351 3.123 10 5 EGBERM CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C1Cc2ccccc2C1 ZINC001136408713 1377390162 /nfs/dbraw/zinc/39/01/62/1377390162.db2.gz XMXKTRRIKZLKMO-UHFFFAOYSA-N -1 0 346.770 3.193 10 5 EGBERM Cc1cccc(OC(F)F)c1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001143402374 1378593107 /nfs/dbraw/zinc/59/31/07/1378593107.db2.gz MNJWPRYVSBXDHM-UHFFFAOYSA-N -1 0 338.266 3.463 10 5 EGBERM O=C(N[C@H]1CCc2ccc(O)cc21)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001147953123 1379101767 /nfs/dbraw/zinc/10/17/67/1379101767.db2.gz ZBHSJLFSWKRVFI-ZDUSSCGKSA-N -1 0 348.742 3.077 10 5 EGBERM O=C(Nc1n[nH]c2c1cccc2Cl)c1ccc([N+](=O)[O-])cc1[O-] ZINC001151702532 1379766080 /nfs/dbraw/zinc/76/60/80/1379766080.db2.gz SJEKIGDUETWPKG-UHFFFAOYSA-N -1 0 332.703 3.082 10 5 EGBERM O=C(NC[C@@H]1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1[O-] ZINC001290696331 1382105052 /nfs/dbraw/zinc/10/50/52/1382105052.db2.gz STVAXROKHLGJIZ-ZDUSSCGKSA-N -1 0 326.352 3.150 10 5 EGBERM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(F)c(F)c1[O-] ZINC001161067376 1382289140 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C[C@@H](N=c1[n-]nc(-c2ccccn2)s1)c1ccccc1[N+](=O)[O-] ZINC000354576489 141308987 /nfs/dbraw/zinc/30/89/87/141308987.db2.gz LYDQYSKEMBWDQU-SNVBAGLBSA-N -1 0 327.369 3.103 10 5 EGBERM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000341222754 155212149 /nfs/dbraw/zinc/21/21/49/155212149.db2.gz WNZLQYAGKIZMQQ-VIFPVBQESA-N -1 0 336.294 3.412 10 5 EGBERM Cc1nc(CC2CC2)sc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000190893357 153165113 /nfs/dbraw/zinc/16/51/13/153165113.db2.gz FOFMXAQZJOUDGC-UHFFFAOYSA-N -1 0 333.369 3.270 10 5 EGBERM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c2cccnc12 ZINC000193127637 153278963 /nfs/dbraw/zinc/27/89/63/153278963.db2.gz TVYWHVNPGABVKM-UHFFFAOYSA-N -1 0 349.393 3.314 10 5 EGBERM O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000346832371 156157064 /nfs/dbraw/zinc/15/70/64/156157064.db2.gz SRPJZPVBNJFIFA-UHFFFAOYSA-N -1 0 348.265 3.367 10 5 EGBERM CN(C(=O)c1cc([O-])ccc1[N+](=O)[O-])C1C2CC3CC(C2)CC1C3 ZINC000346153527 164351219 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ZINC000447400929 309978573 /nfs/dbraw/zinc/97/85/73/309978573.db2.gz TVRLOZZEXAYOAT-UHFFFAOYSA-N -1 0 347.805 3.122 10 5 EGBERM C[C@@H]1CO[C@@H](c2ccccc2)CN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000519646561 312468174 /nfs/dbraw/zinc/46/81/74/312468174.db2.gz GLYWHMCCNZBHSC-SJKOYZFVSA-N -1 0 342.351 3.259 10 5 EGBERM Cc1cc([N+](=O)[O-])ccc1C(=O)N=c1[n-]nc(-c2ccccc2)s1 ZINC000523385770 312617642 /nfs/dbraw/zinc/61/76/42/312617642.db2.gz IXNYAWHFAUDNDS-UHFFFAOYSA-N -1 0 340.364 3.096 10 5 EGBERM Cc1ccc([C@@H](C)NC(=O)CC2CCC(C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000577853581 324878252 /nfs/dbraw/zinc/87/82/52/324878252.db2.gz LIMRODSCDWQDGL-IYXRBSQSSA-N -1 0 348.399 3.362 10 5 EGBERM O=C(NCC1(C(F)(F)F)CCCC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000600704655 460573910 /nfs/dbraw/zinc/57/39/10/460573910.db2.gz NDFVAYYWEVJXKK-UHFFFAOYSA-N -1 0 332.278 3.153 10 5 EGBERM CC(C)c1ncc(Cl)c(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)n1 ZINC000183915823 455339162 /nfs/dbraw/zinc/33/91/62/455339162.db2.gz 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Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CC(=O)[O-])c1ccccc1C ZINC000237663329 455204393 /nfs/dbraw/zinc/20/43/93/455204393.db2.gz QCETVALTYKHVGY-INIZCTEOSA-N -1 0 342.351 3.157 10 5 EGBERM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cc(-c2cccs2)[nH]n1 ZINC000182088748 455432839 /nfs/dbraw/zinc/43/28/39/455432839.db2.gz QHFMNUFESZKZHS-UHFFFAOYSA-N -1 0 330.325 3.004 10 5 EGBERM Cc1cc2c(cc1C)[C@@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)CO2 ZINC000186021767 455678350 /nfs/dbraw/zinc/67/83/50/455678350.db2.gz FTTSNYUHOOMGIL-ZDUSSCGKSA-N -1 0 328.324 3.032 10 5 EGBERM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCCCC[C@@H]1c1ccncc1 ZINC000280859654 456067147 /nfs/dbraw/zinc/06/71/47/456067147.db2.gz DEYLDANCGISECO-OAHLLOKOSA-N -1 0 341.367 3.453 10 5 EGBERM CC(C)O[C@@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000346321697 457032222 /nfs/dbraw/zinc/03/22/22/457032222.db2.gz IPGXZZMZRCWUHS-MRXNPFEDSA-N -1 0 330.340 3.405 10 5 EGBERM CC1=C(c2ccco2)CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000374551589 457658475 /nfs/dbraw/zinc/65/84/75/457658475.db2.gz MOFNKTMIBSSKFH-UHFFFAOYSA-N -1 0 328.324 3.213 10 5 EGBERM O=C(NCc1cccc(-c2ccccn2)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436897608 458401092 /nfs/dbraw/zinc/40/10/92/458401092.db2.gz BKNLMMGYVDBDFG-UHFFFAOYSA-N -1 0 349.346 3.292 10 5 EGBERM Cc1cc(N2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000577614738 459062205 /nfs/dbraw/zinc/06/22/05/459062205.db2.gz PUCSFCIQOFVTSB-BMFZPTHFSA-N -1 0 348.399 3.121 10 5 EGBERM O=C([O-])CCCOc1cccc(-c2cc([N+](=O)[O-])ccc2CCO)c1 ZINC000594874380 459163835 /nfs/dbraw/zinc/16/38/35/459163835.db2.gz JHJRUNGFHBYAFZ-UHFFFAOYSA-N -1 0 345.351 3.040 10 5 EGBERM Cc1cc(NCC2(c3ccccn3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592976915 459727652 /nfs/dbraw/zinc/72/76/52/459727652.db2.gz GGCXQXLIILRXNG-UHFFFAOYSA-N -1 0 327.340 3.140 10 5 EGBERM CC[C@H](C(=O)[O-])N(C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000593333354 459849226 /nfs/dbraw/zinc/84/92/26/459849226.db2.gz UZFQURPOVGRDFE-CYBMUJFWSA-N -1 0 335.385 3.013 10 5 EGBERM Cc1cc(-n2cccn2)ccc1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000586811321 459880773 /nfs/dbraw/zinc/88/07/73/459880773.db2.gz LLMYQSZRMMXVCK-UHFFFAOYSA-N -1 0 338.323 3.047 10 5 EGBERM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccc2c(c1)CCCO2 ZINC000598576308 459947467 /nfs/dbraw/zinc/94/74/67/459947467.db2.gz KUDLRNRBSVZLQH-LLVKDONJSA-N -1 0 342.351 3.116 10 5 EGBERM O=[N+]([O-])c1ccc([O-])cc1CN1CCC(Oc2cccc(F)c2)CC1 ZINC000599507681 460264268 /nfs/dbraw/zinc/26/42/68/460264268.db2.gz PIWDRTDGDUGAAE-UHFFFAOYSA-N -1 0 346.358 3.483 10 5 EGBERM CC1(c2cc(=O)n(-c3cc([N+](=O)[O-])ccc3Br)[n-]2)CC1 ZINC000871959160 1296630887 /nfs/dbraw/zinc/63/08/87/1296630887.db2.gz JZVJZHCLTQAQDA-UHFFFAOYSA-N -1 0 338.161 3.250 10 5 EGBERM CCC[C@@](C)(NC(=O)c1cc([N+](=O)[O-])cc2ccccc21)C(=O)[O-] ZINC000864112004 1329598873 /nfs/dbraw/zinc/59/88/73/1329598873.db2.gz BWRVFUPLOLUIMW-QGZVFWFLSA-N -1 0 330.340 3.121 10 5 EGBERM CC(C)c1ccc(C(=O)N[C@@](C)(CC(=O)[O-])C2CC2)cc1[N+](=O)[O-] ZINC000864200955 1329606131 /nfs/dbraw/zinc/60/61/31/1329606131.db2.gz JWAFFHQDSUGPFT-KRWDZBQOSA-N -1 0 334.372 3.091 10 5 EGBERM O=C([N-]c1ncn(C2CCCCC2)n1)c1c(F)cccc1[N+](=O)[O-] ZINC001127875108 1373193615 /nfs/dbraw/zinc/19/36/15/1373193615.db2.gz OTRQFGUKXYCUMM-UHFFFAOYSA-N -1 0 333.323 3.083 10 5 EGBERM Cn1cccc1[C@@H]1CCCCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001136041082 1377309968 /nfs/dbraw/zinc/30/99/68/1377309968.db2.gz NPXYPJIPSDBWKA-HNNXBMFYSA-N -1 0 343.383 3.396 10 5 EGBERM Cc1c(=O)[nH]c2ccccc2c1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC001138013380 1377665843 /nfs/dbraw/zinc/66/58/43/1377665843.db2.gz NOFMDJJLDXBRCO-UHFFFAOYSA-N -1 0 339.307 3.115 10 5 EGBERM CCc1ccc2c(c1)[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)CCO2 ZINC001138102844 1377677262 /nfs/dbraw/zinc/67/72/62/1377677262.db2.gz DYGCRHGVOSYONV-INIZCTEOSA-N -1 0 342.351 3.116 10 5 EGBERM Cc1ccccc1[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C1CC1 ZINC001146411981 1378835995 /nfs/dbraw/zinc/83/59/95/1378835995.db2.gz VWEKZCKYLFVRPN-QGZVFWFLSA-N -1 0 326.352 3.490 10 5 EGBERM Cc1ncc(/C=C\C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])s1 ZINC001152456129 1379936926 /nfs/dbraw/zinc/93/69/26/1379936926.db2.gz WNDUFDZKSVOOEM-IHWYPQMZSA-N -1 0 339.760 3.371 10 5 EGBERM COc1cccc(C(C)(C)CNC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC001295441444 1382642916 /nfs/dbraw/zinc/64/29/16/1382642916.db2.gz TWISSADKVCHGPY-UHFFFAOYSA-N -1 0 344.367 3.017 10 5 EGBERM O=C(N[C@@H]1CCCc2ccc(F)cc21)c1ccc([N+](=O)[O-])cc1[O-] ZINC001297454238 1383164557 /nfs/dbraw/zinc/16/45/57/1383164557.db2.gz CLVUYNQIPSSSDL-OAHLLOKOSA-N -1 0 330.315 3.247 10 5 EGBERM O=C(NCC1(c2ccccc2F)CCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001164543936 1383198019 /nfs/dbraw/zinc/19/80/19/1383198019.db2.gz ZBLVLORXQKQUNW-UHFFFAOYSA-N -1 0 344.342 3.291 10 5 EGBERM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H](Cn1ccnc1)c1ccccc1 ZINC001175669828 1385368495 /nfs/dbraw/zinc/36/84/95/1385368495.db2.gz TXSBKUVRUYONTE-KRWDZBQOSA-N -1 0 338.367 3.028 10 5 EGBERM O=[N+]([O-])c1c([N-]c2nc3ccccc3s2)ncnc1N1CCCC1 ZINC000040609025 213357756 /nfs/dbraw/zinc/35/77/56/213357756.db2.gz WORLBXRQQBUQNK-UHFFFAOYSA-N -1 0 342.384 3.338 10 5 EGBERM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)sc1Cl ZINC000038821712 213226601 /nfs/dbraw/zinc/22/66/01/213226601.db2.gz OXXQNQHHEDBZNX-UHFFFAOYSA-N -1 0 336.753 3.250 10 5 EGBERM COc1ccccc1[C@H](C)N(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130384624 533002345 /nfs/dbraw/zinc/00/23/45/533002345.db2.gz CDFXHMGYAZTYPC-NSHDSACASA-N -1 0 330.340 3.142 10 5 EGBERM CC(C)c1ccc(C(=O)NC2(CC(=O)[O-])CCCC2)cc1[N+](=O)[O-] ZINC000263549293 142612962 /nfs/dbraw/zinc/61/29/62/142612962.db2.gz VPCAPESRKIYSOY-UHFFFAOYSA-N -1 0 334.372 3.236 10 5 EGBERM COc1cc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc2cccnc21 ZINC000341211516 155210210 /nfs/dbraw/zinc/21/02/10/155210210.db2.gz OIASOSASEYIVHQ-UHFFFAOYSA-N -1 0 339.307 3.110 10 5 EGBERM CC(=O)c1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1Cl ZINC000345926498 164296183 /nfs/dbraw/zinc/29/61/83/164296183.db2.gz GJRKTBBMQJXDGJ-UHFFFAOYSA-N -1 0 334.715 3.409 10 5 EGBERM CC(C)(CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccccc1F ZINC000346309124 164366984 /nfs/dbraw/zinc/36/69/84/164366984.db2.gz PENPGCCJZHWEFS-UHFFFAOYSA-N -1 0 332.331 3.147 10 5 EGBERM CC1(C)CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC[C@H]1C(F)(F)F ZINC000190694647 281223350 /nfs/dbraw/zinc/22/33/50/281223350.db2.gz LZFUJKRHDUSQOF-LLVKDONJSA-N -1 0 346.305 3.351 10 5 EGBERM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000237606299 302123482 /nfs/dbraw/zinc/12/34/82/302123482.db2.gz KOUPBPRIFKEQDT-OAHLLOKOSA-N -1 0 342.351 3.157 10 5 EGBERM O=C(NC[C@@H](c1ccccc1)C1CC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000294703830 308247715 /nfs/dbraw/zinc/24/77/15/308247715.db2.gz VKTUVSSJKSHKJU-HNNXBMFYSA-N -1 0 326.352 3.224 10 5 EGBERM O=C(Nc1ncc(-c2cccnc2)s1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436837599 309777087 /nfs/dbraw/zinc/77/70/87/309777087.db2.gz KKDKVESIDCUYDA-UHFFFAOYSA-N -1 0 342.336 3.071 10 5 EGBERM Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2NC(C)C)o1 ZINC000451096137 310160354 /nfs/dbraw/zinc/16/03/54/310160354.db2.gz NOBUORDFHZQTOV-UHFFFAOYSA-N -1 0 339.373 3.117 10 5 EGBERM O=C(N[C@@H]1CCO[C@@H](c2cccs2)C1)c1cccc([O-])c1[N+](=O)[O-] ZINC000456507531 310409559 /nfs/dbraw/zinc/40/95/59/310409559.db2.gz NXXNSIPSSAGOAR-ZWNOBZJWSA-N -1 0 348.380 3.012 10 5 EGBERM O=C([O-])c1ccnc(/C=C\c2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000551348041 315151138 /nfs/dbraw/zinc/15/11/38/315151138.db2.gz PKFUIWDYYPHTJL-UPHRSURJSA-N -1 0 336.250 3.460 10 5 EGBERM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC[C@@](F)(c2ccccc2)C1 ZINC000571464640 317203015 /nfs/dbraw/zinc/20/30/15/317203015.db2.gz AXKWGUJILZQHEZ-KRWDZBQOSA-N -1 0 330.315 3.011 10 5 EGBERM Cc1cc(N[C@@H]2CCCC23CCOCC3)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000574210430 317572949 /nfs/dbraw/zinc/57/29/49/317572949.db2.gz SYPCDWNAXXHMRM-CQSZACIVSA-N -1 0 334.372 3.363 10 5 EGBERM O=C(CCc1ccccc1O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000180779279 455244294 /nfs/dbraw/zinc/24/42/94/455244294.db2.gz HSPFJDGMXXFUFV-UHFFFAOYSA-N -1 0 336.731 3.231 10 5 EGBERM Cc1nc([C@@H]2CCCN2C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cs1 ZINC000190013035 455272773 /nfs/dbraw/zinc/27/27/73/455272773.db2.gz FEHCYJDAXKWBBZ-LBPRGKRZSA-N -1 0 333.369 3.043 10 5 EGBERM O=C([O-])/C=C/C(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000000191178 452531428 /nfs/dbraw/zinc/53/14/28/452531428.db2.gz ATCOHMJTBLINCC-MDZDMXLPSA-N -1 0 344.348 3.325 10 5 EGBERM C/C=C\C[C@@H]1CCCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000600871637 460626198 /nfs/dbraw/zinc/62/61/98/460626198.db2.gz GYTGCGZENWIZAL-ZZKXABKFSA-N -1 0 332.356 3.111 10 5 EGBERM O=C(Nc1nc(C(F)(F)F)cs1)c1cccc([N+](=O)[O-])c1[O-] ZINC000163072818 454820765 /nfs/dbraw/zinc/82/07/65/454820765.db2.gz SWGSXMPBXLZOKC-UHFFFAOYSA-N -1 0 333.247 3.028 10 5 EGBERM O=C(Nc1nc(-c2ccccn2)cs1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181994343 455412569 /nfs/dbraw/zinc/41/25/69/455412569.db2.gz RSCSGZVSGDQYBU-UHFFFAOYSA-N -1 0 342.336 3.071 10 5 EGBERM Cc1cn2c(/C=C/c3ncc([N+](=O)[O-])cc3C(=O)[O-])c(C)nc2s1 ZINC000193791324 455777903 /nfs/dbraw/zinc/77/79/03/455777903.db2.gz ITNXDELAQVXUMP-ONEGZZNKSA-N -1 0 344.352 3.184 10 5 EGBERM O=C(N[C@H]1CCC[C@@H]1Cc1ccccc1)c1cccc([O-])c1[N+](=O)[O-] ZINC000280930590 456085976 /nfs/dbraw/zinc/08/59/76/456085976.db2.gz KKFFWLYJEXUNPM-ZBFHGGJFSA-N -1 0 340.379 3.442 10 5 EGBERM Cc1nc(C)c([C@@H](C)N(C)C(=O)c2cccc([O-])c2[N+](=O)[O-])s1 ZINC000281054905 456121885 /nfs/dbraw/zinc/12/18/85/456121885.db2.gz YBCLNJXOAWKLHA-SECBINFHSA-N -1 0 335.385 3.207 10 5 EGBERM CC(C)(C)c1cnc(CCC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)o1 ZINC000277029792 456658762 /nfs/dbraw/zinc/65/87/62/456658762.db2.gz JGQXPZTVJODKGP-UHFFFAOYSA-N -1 0 333.344 3.157 10 5 EGBERM CCCCO[C@@H]1C[C@@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1(C)C ZINC000353573890 456774059 /nfs/dbraw/zinc/77/40/59/456774059.db2.gz YUVDGYVNAXIALS-HUUCEWRRSA-N -1 0 336.388 3.014 10 5 EGBERM CCSCc1ccnc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 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CC(C)[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000324558578 456668672 /nfs/dbraw/zinc/66/86/72/456668672.db2.gz RQFQRGYHINARCG-YPMHNXCESA-N -1 0 344.408 3.227 10 5 EGBERM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000283388820 456771425 /nfs/dbraw/zinc/77/14/25/456771425.db2.gz KPMIFCSSMUNXQN-JTQLQIEISA-N -1 0 332.278 3.103 10 5 EGBERM COc1ccc([C@@H](C)NCc2cc([O-])ccc2[N+](=O)[O-])c(C)c1OC ZINC000339206010 456991712 /nfs/dbraw/zinc/99/17/12/456991712.db2.gz NPSKOTWUYSWGTM-GFCCVEGCSA-N -1 0 346.383 3.477 10 5 EGBERM CC(C)(C)C[C@@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])C(F)(F)F ZINC000354717659 457315247 /nfs/dbraw/zinc/31/52/47/457315247.db2.gz MGBLOKDMPOEUFD-LLVKDONJSA-N -1 0 334.294 3.397 10 5 EGBERM C[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000352717597 457553689 /nfs/dbraw/zinc/55/36/89/457553689.db2.gz BEEQSHXVDIHULO-UGSOOPFHSA-N -1 0 328.368 3.262 10 5 EGBERM O=C(N[C@@H]1CCc2cc(Cl)ccc21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356452594 457633106 /nfs/dbraw/zinc/63/31/06/457633106.db2.gz AGRUGPQDYPWMFH-OAHLLOKOSA-N -1 0 332.743 3.371 10 5 EGBERM COc1ccc([C@@H](C)N(C)C(=O)c2cccc([O-])c2[N+](=O)[O-])cc1 ZINC000358150046 457815240 /nfs/dbraw/zinc/81/52/40/457815240.db2.gz BAEPAOLLSLWDOY-LLVKDONJSA-N -1 0 330.340 3.142 10 5 EGBERM C[C@]1(c2ccccc2)CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000375839116 458089003 /nfs/dbraw/zinc/08/90/03/458089003.db2.gz HSCJCRWISIRATI-SFHVURJKSA-N -1 0 326.352 3.104 10 5 EGBERM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@H]2CCO[C@@H](c3ccncc3)C2)c1 ZINC000522005771 459202851 /nfs/dbraw/zinc/20/28/51/459202851.db2.gz YRRWXSORZPHKED-XJKSGUPXSA-N -1 0 343.339 3.020 10 5 EGBERM C[C@@H]1[C@@H](C(F)(F)F)CCCN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000582423170 459363317 /nfs/dbraw/zinc/36/33/17/459363317.db2.gz KURVHDGLDVJWFY-KCJUWKMLSA-N -1 0 332.278 3.460 10 5 EGBERM Cc1noc(C)c1[C@@H](C)CNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000584294587 459703898 /nfs/dbraw/zinc/70/38/98/459703898.db2.gz ZPAAVNDMMQDQGN-VIFPVBQESA-N -1 0 333.344 3.422 10 5 EGBERM Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)n1 ZINC000592980620 459728113 /nfs/dbraw/zinc/72/81/13/459728113.db2.gz NYVACKCGYZYPSJ-ZIAGYGMSSA-N -1 0 327.340 3.332 10 5 EGBERM Cc1cccc(C)c1CS(=O)(=O)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000593204215 459807301 /nfs/dbraw/zinc/80/73/01/459807301.db2.gz XDZXHGDMZYLVBJ-UHFFFAOYSA-N -1 0 335.381 3.032 10 5 EGBERM CC(C)(C)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000585728182 459838333 /nfs/dbraw/zinc/83/83/33/459838333.db2.gz IGVOONMAJJFYRC-QWHCGFSZSA-N -1 0 346.383 3.498 10 5 EGBERM O=C(c1cccc([O-])c1[N+](=O)[O-])N(Cc1ccccc1F)CC1CC1 ZINC000598252583 459841999 /nfs/dbraw/zinc/84/19/99/459841999.db2.gz WMXNSMZISPJIRE-UHFFFAOYSA-N -1 0 344.342 3.492 10 5 EGBERM CC(C)OCc1ccccc1CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000585995328 459857675 /nfs/dbraw/zinc/85/76/75/459857675.db2.gz FWXMFONKPQBHJV-UHFFFAOYSA-N -1 0 344.367 3.155 10 5 EGBERM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC2(CCC2)[C@H]1c1ccncc1 ZINC000598572834 459943615 /nfs/dbraw/zinc/94/36/15/459943615.db2.gz MTRBYJYFZLJDTN-MRXNPFEDSA-N -1 0 339.351 3.063 10 5 EGBERM CC[C@H](OCCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1 ZINC000593788127 459986771 /nfs/dbraw/zinc/98/67/71/459986771.db2.gz YQCDNHBFUMNXFC-KRWDZBQOSA-N -1 0 344.367 3.198 10 5 EGBERM CC1(C)CN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000619674804 460409088 /nfs/dbraw/zinc/40/90/88/460409088.db2.gz NFRUDWHHIPPWTJ-WTANOLMUSA-N -1 0 346.427 3.470 10 5 EGBERM COCc1cccc(CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC000917075850 1319750091 /nfs/dbraw/zinc/75/00/91/1319750091.db2.gz WZBBESHVODSYFW-VURMDHGXSA-N -1 0 342.351 3.451 10 5 EGBERM O=C([O-])c1ccnc(N2CCC[C@](F)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000864514552 1329620784 /nfs/dbraw/zinc/62/07/84/1329620784.db2.gz RJBPASDMEBCNTD-QGZVFWFLSA-N -1 0 345.330 3.153 10 5 EGBERM CC(C)N(Cc1cccc(F)c1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001136390446 1377387581 /nfs/dbraw/zinc/38/75/81/1377387581.db2.gz DZHCVZRAENZXOD-UHFFFAOYSA-N -1 0 332.331 3.490 10 5 EGBERM CC(C)(CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(F)(F)F ZINC001138768769 1377782241 /nfs/dbraw/zinc/78/22/41/1377782241.db2.gz DVYHPHOTTJQDAB-UHFFFAOYSA-N -1 0 340.685 3.272 10 5 EGBERM CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1cc(F)ccc1F ZINC001147211227 1378987942 /nfs/dbraw/zinc/98/79/42/1378987942.db2.gz PPAMFTFKFNQTCJ-AWEZNQCLSA-N -1 0 336.294 3.460 10 5 EGBERM Cc1ccc(/C=C/C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cn1 ZINC001152449361 1379935190 /nfs/dbraw/zinc/93/51/90/1379935190.db2.gz YEENJQBZBAEJOA-SNAWJCMRSA-N -1 0 333.731 3.309 10 5 EGBERM O=C(N[C@@H]1CCCc2c(F)cccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC001160118710 1382003532 /nfs/dbraw/zinc/00/35/32/1382003532.db2.gz XKXGHSIESXABRR-OAHLLOKOSA-N -1 0 330.315 3.247 10 5 EGBERM CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C12CCC2 ZINC001166799034 1383479347 /nfs/dbraw/zinc/47/93/47/1383479347.db2.gz NDIDNEVZEHDXRD-CABCVRRESA-N -1 0 348.399 3.157 10 5 EGBERM O=C(Nc1cc(F)cc(OC(F)F)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC001174886586 1385165374 /nfs/dbraw/zinc/16/53/74/1385165374.db2.gz NWOUMPFADFMTTF-UHFFFAOYSA-N -1 0 342.229 3.293 10 5 EGBERM O=[N+]([O-])c1ccc([O-])cc1CN[C@H](Cn1ccnc1)c1ccccc1 ZINC001175669829 1385368952 /nfs/dbraw/zinc/36/89/52/1385368952.db2.gz TXSBKUVRUYONTE-QGZVFWFLSA-N -1 0 338.367 3.028 10 5 EGBERM O=C(N[C@H]1CCSc2ccccc21)c1cccc([O-])c1[N+](=O)[O-] ZINC000355903779 303982025 /nfs/dbraw/zinc/98/20/25/303982025.db2.gz CUFSYDUVJGKXJW-LBPRGKRZSA-N -1 0 330.365 3.267 10 5 EGBERM O=C(Nc1nc(-c2ccc[nH]2)cs1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000352638534 304013868 /nfs/dbraw/zinc/01/38/68/304013868.db2.gz VIVONFFAGNUAGW-UHFFFAOYSA-N -1 0 330.325 3.004 10 5 EGBERM COc1ccccc1[C@@H](C)N(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130384858 223148544 /nfs/dbraw/zinc/14/85/44/223148544.db2.gz CDFXHMGYAZTYPC-LLVKDONJSA-N -1 0 330.340 3.142 10 5 EGBERM O=C(c1cccc([O-])c1[N+](=O)[O-])N(Cc1ccc(F)cc1F)C1CC1 ZINC000341215549 141139618 /nfs/dbraw/zinc/13/96/18/141139618.db2.gz LDSHJEPKNRAEGZ-UHFFFAOYSA-N -1 0 348.305 3.383 10 5 EGBERM CCN(Cc1c(F)cccc1F)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000346335852 164370802 /nfs/dbraw/zinc/37/08/02/164370802.db2.gz PKAMRIZYZLGCLW-UHFFFAOYSA-N -1 0 336.294 3.241 10 5 EGBERM O=C(NCc1ccc(C2CC2)cc1F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000358918440 167005951 /nfs/dbraw/zinc/00/59/51/167005951.db2.gz JEHYDQJOWPTXJB-UHFFFAOYSA-N -1 0 330.315 3.247 10 5 EGBERM Cc1ccc([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)c(C)n1 ZINC000414438910 309080066 /nfs/dbraw/zinc/08/00/66/309080066.db2.gz DWLSZAROGNCNOV-UHFFFAOYSA-N -1 0 335.385 3.024 10 5 EGBERM CCc1csc([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)n1 ZINC000414438965 309080136 /nfs/dbraw/zinc/08/01/36/309080136.db2.gz JQYVEWQWYZDCND-UHFFFAOYSA-N -1 0 341.414 3.031 10 5 EGBERM Cn1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c(C2CCCCC2)n1 ZINC000295805250 308361943 /nfs/dbraw/zinc/36/19/43/308361943.db2.gz NSABXRGKBHWHTL-UHFFFAOYSA-N -1 0 344.371 3.334 10 5 EGBERM O=C(NCc1ccc(-c2cccnc2)cc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436974537 309784004 /nfs/dbraw/zinc/78/40/04/309784004.db2.gz ZLOGUMNUBRWKPO-UHFFFAOYSA-N -1 0 349.346 3.292 10 5 EGBERM O=C(NCC[C@H]1CCc2ccccc21)c1cccc([O-])c1[N+](=O)[O-] ZINC000452722900 310238723 /nfs/dbraw/zinc/23/87/23/310238723.db2.gz WAYZCRROWNWADW-CYBMUJFWSA-N -1 0 326.352 3.150 10 5 EGBERM CCCc1nc(=NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)s[n-]1 ZINC000547378891 314895264 /nfs/dbraw/zinc/89/52/64/314895264.db2.gz NIEUPODYWBNZPN-UHFFFAOYSA-N -1 0 348.428 3.371 10 5 EGBERM COCCOCc1cccc(-c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])c1 ZINC000565238955 316296873 /nfs/dbraw/zinc/29/68/73/316296873.db2.gz SCEBCDVJXPSVFJ-UHFFFAOYSA-N -1 0 345.351 3.052 10 5 EGBERM Cc1noc(C2CCC(Nc3ccc([N+](=O)[O-])c(C(=O)[O-])c3)CC2)n1 ZINC000572725250 317382548 /nfs/dbraw/zinc/38/25/48/317382548.db2.gz DXEHSSMVMNCCHM-UHFFFAOYSA-N -1 0 346.343 3.123 10 5 EGBERM O=C([O-])/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1Cl ZINC000000169189 452524698 /nfs/dbraw/zinc/52/46/98/452524698.db2.gz YULHNDSHGALATG-NTEUORMPSA-N -1 0 346.726 3.104 10 5 EGBERM Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000137285324 454774631 /nfs/dbraw/zinc/77/46/31/454774631.db2.gz NPBIMYQKOBWKKE-SNVBAGLBSA-N -1 0 346.387 3.051 10 5 EGBERM O=C(CCCOc1ccccc1F)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183903550 455336919 /nfs/dbraw/zinc/33/69/19/455336919.db2.gz NBYDDIFUZAORSL-UHFFFAOYSA-N -1 0 334.303 3.237 10 5 EGBERM CC[C@H](NC(=O)C1CCC(C(=O)[O-])CC1)c1cccc([N+](=O)[O-])c1 ZINC000194435129 455841228 /nfs/dbraw/zinc/84/12/28/455841228.db2.gz WDFOGWOGZSOBBU-QOZQQMKHSA-N -1 0 334.372 3.053 10 5 EGBERM Cc1cc(N2CCCC2)ccc1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000348493490 456713810 /nfs/dbraw/zinc/71/38/10/456713810.db2.gz IQVSMUONFWGPLO-UHFFFAOYSA-N -1 0 341.367 3.461 10 5 EGBERM CCCCO[C@@H]1C[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1(C)C 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RWOYYZWJWIZCGB-UHFFFAOYSA-N -1 0 349.346 3.292 10 5 EGBERM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC(Cc2ccccc2Cl)C1 ZINC000372246856 458246671 /nfs/dbraw/zinc/24/66/71/458246671.db2.gz HSWXUSMWDDOACE-UHFFFAOYSA-N -1 0 346.770 3.269 10 5 EGBERM CC(C)Oc1ccc(F)cc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436875132 458397102 /nfs/dbraw/zinc/39/71/02/458397102.db2.gz WNULVOBWGOSARK-UHFFFAOYSA-N -1 0 334.303 3.479 10 5 EGBERM CC(C)(C)CC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000518666192 458883981 /nfs/dbraw/zinc/88/39/81/458883981.db2.gz JQNRQNAEXNEFJG-LBPRGKRZSA-N -1 0 341.339 3.135 10 5 EGBERM C[C@@H](Cc1ccc(-c2cc([N+](=O)[O-])ccc2CCO)cc1)C(=O)[O-] ZINC000594874451 459165109 /nfs/dbraw/zinc/16/51/09/459165109.db2.gz OSNBFZOOPIRIRW-LBPRGKRZSA-N -1 0 329.352 3.060 10 5 EGBERM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000569917172 459530562 /nfs/dbraw/zinc/53/05/62/459530562.db2.gz AXIXHSNDBXAUHR-LBPRGKRZSA-N -1 0 343.339 3.102 10 5 EGBERM CC[C@@H](N=c1nc(C2CCOCC2)[n-]s1)c1cccc([N+](=O)[O-])c1 ZINC000596153252 459539873 /nfs/dbraw/zinc/53/98/73/459539873.db2.gz WUKZZYMBEZESDF-CQSZACIVSA-N -1 0 348.428 3.325 10 5 EGBERM Cc1cc(N(C)[C@H](CCO)c2ccccc2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000584116241 459659971 /nfs/dbraw/zinc/65/99/71/459659971.db2.gz PRAGEIPSCDOCRO-MRXNPFEDSA-N -1 0 344.367 3.161 10 5 EGBERM CCO[C@@H](C)c1noc(CSCc2cc([O-])ccc2[N+](=O)[O-])n1 ZINC000593188675 459801300 /nfs/dbraw/zinc/80/13/00/459801300.db2.gz AMOYWRZZYFCHNL-VIFPVBQESA-N -1 0 339.373 3.214 10 5 EGBERM Cc1cnc(C)c([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1 ZINC000593282937 459829168 /nfs/dbraw/zinc/82/91/68/459829168.db2.gz SYPKYFMKQXAAQD-UHFFFAOYSA-N -1 0 335.385 3.024 10 5 EGBERM CC[C@@H](C(=O)[O-])N(C)c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000593326075 459844574 /nfs/dbraw/zinc/84/45/74/459844574.db2.gz CGRYSPZTOKZQII-LBPRGKRZSA-N -1 0 333.319 3.095 10 5 EGBERM O=C(C[C@@]12CCCC[C@@H]1C2(F)F)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000597441283 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COc1ccccc1Oc1ncnc([N-]c2cc(C)on2)c1[N+](=O)[O-] ZINC000040582426 213354262 /nfs/dbraw/zinc/35/42/62/213354262.db2.gz DIVLKFFRIAJIIM-UHFFFAOYSA-N -1 0 343.299 3.226 10 5 EGBERM COc1ccc(Oc2ncnc([N-]c3cc(C)on3)c2[N+](=O)[O-])cc1 ZINC000040582428 213353979 /nfs/dbraw/zinc/35/39/79/213353979.db2.gz YWZOYCFTRKFEFO-UHFFFAOYSA-N -1 0 343.299 3.226 10 5 EGBERM O=[N+]([O-])c1c([N-]c2nccs2)ncnc1N1CCc2ccccc21 ZINC000040586146 213355509 /nfs/dbraw/zinc/35/55/09/213355509.db2.gz HFJKFIAUPLIFMB-UHFFFAOYSA-N -1 0 340.368 3.279 10 5 EGBERM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N(Cc1ccco1)C1CCCC1 ZINC000183464742 235093993 /nfs/dbraw/zinc/09/39/93/235093993.db2.gz FMAAVAGLTYWYHT-UHFFFAOYSA-N -1 0 330.340 3.478 10 5 EGBERM CCC[C@](C)(Nc1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-] ZINC000036807700 213119823 /nfs/dbraw/zinc/11/98/23/213119823.db2.gz PZJMHNZUACEEEA-LBPRGKRZSA-N -1 0 331.166 3.413 10 5 EGBERM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000035101559 213008277 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3.345 10 5 EGBERM Cc1ccccc1OCCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000917523817 1319828130 /nfs/dbraw/zinc/82/81/30/1319828130.db2.gz WEILDFNUNDCZPA-CLFYSBASSA-N -1 0 342.351 3.492 10 5 EGBERM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000924097459 1322900486 /nfs/dbraw/zinc/90/04/86/1322900486.db2.gz KJNPBRMPNBALQI-XPTSAGLGSA-N -1 0 344.289 3.105 10 5 EGBERM Cc1ccc(CO)cc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001137462475 1377551069 /nfs/dbraw/zinc/55/10/69/1377551069.db2.gz LIFXTUIRODCKQK-UHFFFAOYSA-N -1 0 336.731 3.007 10 5 EGBERM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cncc2[nH]ccc21 ZINC001137826445 1377623664 /nfs/dbraw/zinc/62/36/64/1377623664.db2.gz FYMJHXLTGBFKBS-UHFFFAOYSA-N -1 0 332.703 3.082 10 5 EGBERM COc1ccc(/C(C)=C/C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC001138013941 1377665688 /nfs/dbraw/zinc/66/56/88/1377665688.db2.gz ZNRCNQKDTJMPEX-PKNBQFBNSA-N -1 0 328.324 3.351 10 5 EGBERM COc1ccc2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])cnc2c1 ZINC001153455498 1380079565 /nfs/dbraw/zinc/07/95/65/1380079565.db2.gz LNWWJJKQSVPMHS-UHFFFAOYSA-N -1 0 339.307 3.110 10 5 EGBERM O=C(Nc1ccc(OC2CCCC2)nc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001292601526 1382205057 /nfs/dbraw/zinc/20/50/57/1382205057.db2.gz BHPGGTADMPOULI-UHFFFAOYSA-N -1 0 343.339 3.269 10 5 EGBERM CC(C)(C)Oc1cc(F)ccc1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001295098984 1382536320 /nfs/dbraw/zinc/53/63/20/1382536320.db2.gz PTGXXYGIEXHKAT-UHFFFAOYSA-N -1 0 349.318 3.264 10 5 EGBERM O=C(C[C@H]1CC[C@@H](C2CC2)O1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001295613820 1382742599 /nfs/dbraw/zinc/74/25/99/1382742599.db2.gz CHFQPIDXDBRLNA-MFKMUULPSA-N -1 0 340.763 3.240 10 5 EGBERM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N(CC1CC1)c1cccc(F)c1 ZINC001171642503 1384590484 /nfs/dbraw/zinc/59/04/84/1384590484.db2.gz APIVWOPAMMXVAH-UHFFFAOYSA-N -1 0 330.315 3.496 10 5 EGBERM O=C(N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001331136870 1389635159 /nfs/dbraw/zinc/63/51/59/1389635159.db2.gz LGMPBGVSHNNPBR-QNSHHTMESA-N -1 0 346.717 3.117 10 5 EGBERM O=C(Nc1ccc(Br)c([O-])c1)c1csc([N+](=O)[O-])c1 ZINC001339754373 1390130813 /nfs/dbraw/zinc/13/08/13/1390130813.db2.gz PIBNQBPXTMFYMY-UHFFFAOYSA-N -1 0 343.158 3.377 10 5 EGBERM O=C([O-])C1(NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCCCC1 ZINC000864098073 939246057 /nfs/dbraw/zinc/24/60/57/939246057.db2.gz BEYUOBQDGFTUPZ-UHFFFAOYSA-N -1 0 342.351 3.265 10 5 EGBERM O=[N+]([O-])c1c([N-]c2ccccn2)ncnc1Nc1ccccc1F ZINC000040627505 213361198 /nfs/dbraw/zinc/36/11/98/213361198.db2.gz KBCTXSRIKAEEJE-UHFFFAOYSA-N -1 0 326.291 3.406 10 5 EGBERM C[C@@H](Sc1ccccc1C(=O)[O-])C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000012814955 296213318 /nfs/dbraw/zinc/21/33/18/296213318.db2.gz VSQZECDJLXYQMQ-SNVBAGLBSA-N -1 0 346.364 3.412 10 5 EGBERM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1cnn(-c2ccccc2)c1 ZINC000052507987 304228092 /nfs/dbraw/zinc/22/80/92/304228092.db2.gz KWDDVBSYBHMUTF-VOTSOKGWSA-N -1 0 336.307 3.044 10 5 EGBERM Cc1nc2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)ccc2o1 ZINC000172182112 144017078 /nfs/dbraw/zinc/01/70/78/144017078.db2.gz UDRMTVUPIARUOC-UHFFFAOYSA-N -1 0 347.352 3.154 10 5 EGBERM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cc(C)sc1C ZINC000120546045 152283622 /nfs/dbraw/zinc/28/36/22/152283622.db2.gz CFFHZEFOCBNPAO-UHFFFAOYSA-N -1 0 342.398 3.083 10 5 EGBERM Cc1ccccc1[C@]1(F)CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000337725457 154512300 /nfs/dbraw/zinc/51/23/00/154512300.db2.gz SXCNUYLIVVCWHG-SFHVURJKSA-N -1 0 344.342 3.320 10 5 EGBERM CCO[C@H]1C[C@H](N(C)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C12CCCC2 ZINC000164740384 286517075 /nfs/dbraw/zinc/51/70/75/286517075.db2.gz LLCASNZVAMBXBG-HOTGVXAUSA-N -1 0 348.399 3.110 10 5 EGBERM C[C@@H]1CCc2nc(/C=C\c3ncc([N+](=O)[O-])cc3C(=O)[O-])sc2C1 ZINC000345507531 156129159 /nfs/dbraw/zinc/12/91/59/156129159.db2.gz OOOYOSCDTBZFJK-XRVBUDJMSA-N -1 0 345.380 3.440 10 5 EGBERM O=C(Nc1csc(-c2ccccn2)n1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000354727460 166018620 /nfs/dbraw/zinc/01/86/20/166018620.db2.gz WADMCOSSYSEPMY-UHFFFAOYSA-N -1 0 342.336 3.071 10 5 EGBERM CCSc1cccc(CNC(=O)c2cccc([O-])c2[N+](=O)[O-])c1 ZINC000343643659 164002156 /nfs/dbraw/zinc/00/21/56/164002156.db2.gz RJSGKTFNNGJQOC-UHFFFAOYSA-N -1 0 332.381 3.342 10 5 EGBERM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c1 ZINC000359038936 167045965 /nfs/dbraw/zinc/04/59/65/167045965.db2.gz VOGWUCAYXGSVAV-UHFFFAOYSA-N -1 0 335.366 3.005 10 5 EGBERM CC[C@@H](NC(=O)c1cc(F)c([O-])c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000180127114 265395784 /nfs/dbraw/zinc/39/57/84/265395784.db2.gz PMLQZBRBGRRCBK-CQSZACIVSA-N -1 0 336.294 3.460 10 5 EGBERM O=C(N[C@H](Cc1ccccc1)C1CC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000281011399 275514176 /nfs/dbraw/zinc/51/41/76/275514176.db2.gz SHFRFKVDQJVWID-OAHLLOKOSA-N -1 0 326.352 3.052 10 5 EGBERM C[C@@H]1C[C@@H](C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H](C)O1 ZINC000248697871 297212694 /nfs/dbraw/zinc/21/26/94/297212694.db2.gz ZCKLLQHARJYTFY-AYMMMOKOSA-N -1 0 328.752 3.096 10 5 EGBERM C[C@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000119094420 307490562 /nfs/dbraw/zinc/49/05/62/307490562.db2.gz SCBIDSGVALCKHE-SECBINFHSA-N -1 0 336.294 3.112 10 5 EGBERM C[C@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)[C@H]1OCCc2sccc21 ZINC000293517302 308138075 /nfs/dbraw/zinc/13/80/75/308138075.db2.gz PZGGEVNAKLBUBJ-BJOHPYRUSA-N -1 0 348.380 3.251 10 5 EGBERM CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1nc2ccccc2[nH]1 ZINC000436980320 309784220 /nfs/dbraw/zinc/78/42/20/309784220.db2.gz PHJBWNPFNCKZBT-LBPRGKRZSA-N -1 0 340.339 3.058 10 5 EGBERM COc1ccc(C)cc1[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000443975920 309910893 /nfs/dbraw/zinc/91/08/93/309910893.db2.gz BQGNWIKOWSCCLK-NSHDSACASA-N -1 0 330.340 3.108 10 5 EGBERM CN1CCC[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c2ccccc21 ZINC000456602815 310414571 /nfs/dbraw/zinc/41/45/71/310414571.db2.gz HQQXPCZDCYWNAH-AWEZNQCLSA-N -1 0 341.367 3.002 10 5 EGBERM CC(C)c1ccccc1OCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000547863037 314949150 /nfs/dbraw/zinc/94/91/50/314949150.db2.gz LFXFWZPEBOIGTE-UHFFFAOYSA-N -1 0 330.340 3.441 10 5 EGBERM Cn1nc(C2CCCCC2)cc1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000552093405 315197224 /nfs/dbraw/zinc/19/72/24/315197224.db2.gz HYNHVZBUIBJOQH-UHFFFAOYSA-N -1 0 344.371 3.334 10 5 EGBERM CC[C@@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])Oc1cccc(C)c1 ZINC000552277025 315210215 /nfs/dbraw/zinc/21/02/15/315210215.db2.gz OTTQRGMSRKIIHB-AWEZNQCLSA-N -1 0 344.367 3.196 10 5 EGBERM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC[C@](F)(c2ccccc2)C1 ZINC000571464641 317202886 /nfs/dbraw/zinc/20/28/86/317202886.db2.gz AXKWGUJILZQHEZ-QGZVFWFLSA-N -1 0 330.315 3.011 10 5 EGBERM C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000015549303 453575911 /nfs/dbraw/zinc/57/59/11/453575911.db2.gz MOKMTBOZJIKPAN-SNVBAGLBSA-N -1 0 344.396 3.086 10 5 EGBERM Cc1nc2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3C)ccc2o1 ZINC000075632382 453912920 /nfs/dbraw/zinc/91/29/20/453912920.db2.gz XUSMMEUSPZQYDM-UHFFFAOYSA-N -1 0 347.352 3.154 10 5 EGBERM C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183903017 455337013 /nfs/dbraw/zinc/33/70/13/455337013.db2.gz TWGWXIQXBNKEMB-VIFPVBQESA-N -1 0 336.731 3.360 10 5 EGBERM COc1cccc([C@@H](C)CC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000183910381 455338740 /nfs/dbraw/zinc/33/87/40/455338740.db2.gz XNLMWIZMOWJKSL-NSHDSACASA-N -1 0 330.340 3.441 10 5 EGBERM COc1cc(CNc2ncc(C(F)(F)F)s2)cc([N+](=O)[O-])c1[O-] ZINC000284131020 455640075 /nfs/dbraw/zinc/64/00/75/455640075.db2.gz PQRIGDIZMUEBMM-UHFFFAOYSA-N -1 0 349.290 3.396 10 5 EGBERM CC(=O)C(C)(C)CCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000612628232 460683716 /nfs/dbraw/zinc/68/37/16/460683716.db2.gz RUFWVXFAICMPGO-UHFFFAOYSA-N -1 0 328.752 3.288 10 5 EGBERM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1coc(-c2ccccc2)n1 ZINC000186025735 455679236 /nfs/dbraw/zinc/67/92/36/455679236.db2.gz QJLMZSRYZPLYPE-UHFFFAOYSA-N -1 0 325.280 3.208 10 5 EGBERM C[C@H]1CC(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H](C)O1 ZINC000186034862 455680709 /nfs/dbraw/zinc/68/07/09/455680709.db2.gz ZCKLLQHARJYTFY-YUMQZZPRSA-N -1 0 328.752 3.096 10 5 EGBERM Cn1cccc1[C@@H]1CCCCN1C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000280986156 456101044 /nfs/dbraw/zinc/10/10/44/456101044.db2.gz PZAQSWNRSHKVBJ-AWEZNQCLSA-N -1 0 329.356 3.006 10 5 EGBERM O=C(N[C@H]1CCc2c1cccc2Cl)c1cccc([O-])c1[N+](=O)[O-] ZINC000343149971 456435374 /nfs/dbraw/zinc/43/53/74/456435374.db2.gz BEMUGFFJXVVCJJ-ZDUSSCGKSA-N -1 0 332.743 3.371 10 5 EGBERM CCc1c(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cnn1CCC(C)C ZINC000427715374 458027031 /nfs/dbraw/zinc/02/70/31/458027031.db2.gz QBUDLPJZFAKGMW-UHFFFAOYSA-N -1 0 346.387 3.358 10 5 EGBERM O=[N+]([O-])c1ccc(-c2nc(COCc3ccccc3)no2)cc1[O-] ZINC000445229590 458029567 /nfs/dbraw/zinc/02/95/67/458029567.db2.gz BVRYJQHFBYVWKG-UHFFFAOYSA-N -1 0 327.296 3.067 10 5 EGBERM Cn1nc(-c2ccsc2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436821937 458388615 /nfs/dbraw/zinc/38/86/15/458388615.db2.gz MYUYJTUZWPESSK-UHFFFAOYSA-N -1 0 344.352 3.015 10 5 EGBERM CCO[C@H]1C[C@@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])C12CCCCC2 ZINC000377103430 458463159 /nfs/dbraw/zinc/46/31/59/458463159.db2.gz MXEIKWAVOPOTLG-CVEARBPZSA-N -1 0 348.399 3.158 10 5 EGBERM O=C([O-])c1cc(NC[C@@H]2C[C@H](c3ccccc3)CO2)ccc1[N+](=O)[O-] ZINC000594736565 459145837 /nfs/dbraw/zinc/14/58/37/459145837.db2.gz RXAWUCHWULSRAE-ZFWWWQNUSA-N -1 0 342.351 3.278 10 5 EGBERM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC(Cc3cccnc3)CC2)c1 ZINC000592975367 459726055 /nfs/dbraw/zinc/72/60/55/459726055.db2.gz HDTOFQSDRHZYPO-UHFFFAOYSA-N -1 0 341.367 3.147 10 5 EGBERM Cc1cnc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1 ZINC000593282172 459828827 /nfs/dbraw/zinc/82/88/27/459828827.db2.gz MSVYZOIIRCFQFC-UHFFFAOYSA-N -1 0 335.385 3.024 10 5 EGBERM O=C(c1cc([O-])ccc1[N+](=O)[O-])N(Cc1ccccc1F)CC1CC1 ZINC000598251969 459840353 /nfs/dbraw/zinc/84/03/53/459840353.db2.gz PPAYPNYODCEFQR-UHFFFAOYSA-N -1 0 344.342 3.492 10 5 EGBERM CN(C[C@@H]1CCc2ccccc21)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000598469864 459906585 /nfs/dbraw/zinc/90/65/85/459906585.db2.gz PASBXVXRIDMACF-AWEZNQCLSA-N -1 0 326.352 3.102 10 5 EGBERM CCCOc1cncc(NCc2cc(OC)c([O-])c([N+](=O)[O-])c2)c1 ZINC000598996124 460121475 /nfs/dbraw/zinc/12/14/75/460121475.db2.gz CZMGJYOCODZTGN-UHFFFAOYSA-N -1 0 333.344 3.105 10 5 EGBERM COc1ccc2c(c1)CCN(c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1)C2 ZINC000576481501 460152064 /nfs/dbraw/zinc/15/20/64/460152064.db2.gz XSNUYKWJSBACJX-UHFFFAOYSA-N -1 0 342.351 3.173 10 5 EGBERM CC(C)(C)Oc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000599713241 460319103 /nfs/dbraw/zinc/31/91/03/460319103.db2.gz HFGBELCRDXKDLU-UHFFFAOYSA-N -1 0 331.328 3.125 10 5 EGBERM O=C(c1cccc([N+](=O)[O-])c1[O-])N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000899424760 1317031642 /nfs/dbraw/zinc/03/16/42/1317031642.db2.gz KDZCHHUBURPAJQ-XPTSAGLGSA-N -1 0 344.289 3.105 10 5 EGBERM COCc1ccc(CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000914786304 1319378974 /nfs/dbraw/zinc/37/89/74/1319378974.db2.gz DNTACIAYFLTYDS-CLFYSBASSA-N -1 0 342.351 3.451 10 5 EGBERM CCO[C@@H](CCNC(=O)c1cccc([N+](=O)[O-])c1[O-])C1CCCC1 ZINC001137229498 1377500465 /nfs/dbraw/zinc/50/04/65/1377500465.db2.gz NPHFCSVBINJOEB-HNNXBMFYSA-N -1 0 336.388 3.016 10 5 EGBERM CCCn1cc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c(C)n1 ZINC001137827049 1377623531 /nfs/dbraw/zinc/62/35/31/1377623531.db2.gz ZCNOBJPMAFWEEN-UHFFFAOYSA-N -1 0 338.751 3.121 10 5 EGBERM Cc1nc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])sc1C ZINC001144284818 1378710133 /nfs/dbraw/zinc/71/01/33/1378710133.db2.gz BXOZXJOTUBEALT-UHFFFAOYSA-N -1 0 327.749 3.279 10 5 EGBERM COc1ccccc1C1(NC(=O)c2cccc([N+](=O)[O-])c2[O-])CCC1 ZINC001146821780 1378928546 /nfs/dbraw/zinc/92/85/46/1378928546.db2.gz HOFXLACKGYKYDV-UHFFFAOYSA-N -1 0 342.351 3.118 10 5 EGBERM COc1ccc(C2CC2)c(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC001302863052 1383771041 /nfs/dbraw/zinc/77/10/41/1383771041.db2.gz 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ZINC000610846012 460247230 /nfs/dbraw/zinc/24/72/30/460247230.db2.gz RJKJOXHKQRUJCL-UHFFFAOYSA-N -1 0 334.372 3.017 10 5 EGBERM CC(C)n1ncc(C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])c1Cl ZINC000860211117 1329174982 /nfs/dbraw/zinc/17/49/82/1329174982.db2.gz LDDDRLZIFULJHG-UHFFFAOYSA-N -1 0 339.735 3.088 10 5 EGBERM O=C(CCC[C@@H](O)c1ccccc1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC001138013169 1377665697 /nfs/dbraw/zinc/66/56/97/1377665697.db2.gz IQRQNMQVTQDTRV-OAHLLOKOSA-N -1 0 330.340 3.143 10 5 EGBERM C[C@@H](Cc1cccc(F)c1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC001141981840 1378401074 /nfs/dbraw/zinc/40/10/74/1378401074.db2.gz UPANQLWXOKXFMO-NSHDSACASA-N -1 0 332.331 3.143 10 5 EGBERM COc1cccc2c1CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C2 ZINC001151785371 1379779778 /nfs/dbraw/zinc/77/97/78/1379779778.db2.gz GKYDABWOFDZESX-UHFFFAOYSA-N -1 0 348.742 3.118 10 5 EGBERM CCO[C@@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CCCC1 ZINC001152449291 1379935442 /nfs/dbraw/zinc/93/54/42/1379935442.db2.gz 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O=C(Nc1cccc(Br)c1)c1cccc([O-])c1[N+](=O)[O-] ZINC000348348122 456640099 /nfs/dbraw/zinc/64/00/99/456640099.db2.gz WOZYWAIVWLDBPP-UHFFFAOYSA-N -1 0 337.129 3.315 10 5 EGBERM C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000361021600 457518677 /nfs/dbraw/zinc/51/86/77/457518677.db2.gz BGVUDYPTUSYGEH-PSASIEDQSA-N -1 0 332.278 3.103 10 5 EGBERM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000356330100 457574966 /nfs/dbraw/zinc/57/49/66/457574966.db2.gz BDCWHVISBDAYPC-HNNXBMFYSA-N -1 0 344.342 3.287 10 5 EGBERM O=C(NCC1CC(c2ccccc2)C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000375820424 458081645 /nfs/dbraw/zinc/08/16/45/458081645.db2.gz RYKNTHFGVPOTBK-UHFFFAOYSA-N -1 0 326.352 3.224 10 5 EGBERM O=C(Nc1csc(-c2ccccn2)n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436976477 458416220 /nfs/dbraw/zinc/41/62/20/458416220.db2.gz BNTOSUSPQDPLCN-UHFFFAOYSA-N -1 0 342.336 3.071 10 5 EGBERM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC[C@@H](Nc2ccccc2)C1 ZINC000377823760 458541625 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342.398 3.028 10 5 EGBERM COc1ccc2nc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])ccc2c1 ZINC000089541060 275153147 /nfs/dbraw/zinc/15/31/47/275153147.db2.gz IIGKUYDIJLMEOG-UHFFFAOYSA-N -1 0 339.307 3.110 10 5 EGBERM O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)c1cccc([O-])c1[N+](=O)[O-] ZINC000280930585 275507571 /nfs/dbraw/zinc/50/75/71/275507571.db2.gz KKFFWLYJEXUNPM-GDBMZVCRSA-N -1 0 340.379 3.442 10 5 EGBERM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(C3CCC3)cn2)cc1 ZINC000295153169 308297163 /nfs/dbraw/zinc/29/71/63/308297163.db2.gz CBIZJEMOHNDOJD-UHFFFAOYSA-N -1 0 333.369 3.058 10 5 EGBERM C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000295859040 308368129 /nfs/dbraw/zinc/36/81/29/308368129.db2.gz DWOJLRMYADMGPI-SCZZXKLOSA-N -1 0 332.278 3.103 10 5 EGBERM CC1(C)CCc2sc(NC(=O)c3cc([O-])ccc3[N+](=O)[O-])nc21 ZINC000421962044 309348175 /nfs/dbraw/zinc/34/81/75/309348175.db2.gz KKAQYZQZNHGHSL-UHFFFAOYSA-N -1 0 333.369 3.233 10 5 EGBERM Cc1ccccc1[C@@]1(F)CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000436511753 309758129 /nfs/dbraw/zinc/75/81/29/309758129.db2.gz JHSWCYVXQNKLDH-GOSISDBHSA-N -1 0 344.342 3.320 10 5 EGBERM C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436547837 309760218 /nfs/dbraw/zinc/76/02/18/309760218.db2.gz YNTHQMYLBJRKFB-PSASIEDQSA-N -1 0 332.278 3.103 10 5 EGBERM C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436567569 309761589 /nfs/dbraw/zinc/76/15/89/309761589.db2.gz XXULHXWVMUILJH-KCJUWKMLSA-N -1 0 332.278 3.103 10 5 EGBERM CC(C)C(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000436673745 309767775 /nfs/dbraw/zinc/76/77/75/309767775.db2.gz LLSUJKSQAUYMHA-UHFFFAOYSA-N -1 0 343.339 3.147 10 5 EGBERM CC(C)(C)c1ccc(NC(=O)c2cccc3n[nH]nc32)cc1[N+](=O)[O-] ZINC000552741860 315230390 /nfs/dbraw/zinc/23/03/90/315230390.db2.gz LUJWXJGASBFHLS-UHFFFAOYSA-N -1 0 339.355 3.416 10 5 EGBERM O=C(Cc1ccc2c(c1)CCCC2)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000571960421 317270573 /nfs/dbraw/zinc/27/05/73/317270573.db2.gz RDKJSHIUKFJAGU-UHFFFAOYSA-N -1 0 326.352 3.360 10 5 EGBERM Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H]2c2nc(C(=O)[O-])cs2)n1 ZINC000576111428 324549386 /nfs/dbraw/zinc/54/93/86/324549386.db2.gz ZGZCWUXLGCQXBU-LLVKDONJSA-N -1 0 348.384 3.103 10 5 EGBERM O=C([O-])c1cnc(N2CC[C@@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000579235766 325081716 /nfs/dbraw/zinc/08/17/16/325081716.db2.gz GEFMJVOBKBCQGE-LLVKDONJSA-N -1 0 347.758 3.335 10 5 EGBERM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000007708205 453106619 /nfs/dbraw/zinc/10/66/19/453106619.db2.gz ZGZUYMQNPMQGLQ-UHFFFAOYSA-N -1 0 342.760 3.058 10 5 EGBERM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000089531860 454159930 /nfs/dbraw/zinc/15/99/30/454159930.db2.gz GNWKKRJHNJIBOH-UONOGXRCSA-N -1 0 328.324 3.051 10 5 EGBERM C[C@@](NC(=O)[C@@H]1CCCC(C)(C)C1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600871329 460626698 /nfs/dbraw/zinc/62/66/98/460626698.db2.gz ATFGQHALDCQBIZ-XIKOKIGWSA-N -1 0 348.399 3.227 10 5 EGBERM Cn1c(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)nc2cc(Cl)ccc21 ZINC000160214384 455438940 /nfs/dbraw/zinc/43/89/40/455438940.db2.gz ATHGWMUJUSUIPG-UHFFFAOYSA-N -1 0 346.730 3.093 10 5 EGBERM Cc1ccc(C[C@H](C)NC(=O)c2cccc([O-])c2[N+](=O)[O-])c(C)c1 ZINC000280937855 456087495 /nfs/dbraw/zinc/08/74/95/456087495.db2.gz LCBLMILQTCOLPD-ZDUSSCGKSA-N -1 0 328.368 3.278 10 5 EGBERM CCOCCC1(CNC(=O)c2cccc([O-])c2[N+](=O)[O-])CCCC1 ZINC000281058612 456122574 /nfs/dbraw/zinc/12/25/74/456122574.db2.gz RPYWERIYOLTXDD-UHFFFAOYSA-N -1 0 336.388 3.017 10 5 EGBERM O=C(Nc1ccc(Br)cc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000236562686 456157716 /nfs/dbraw/zinc/15/77/16/456157716.db2.gz XAQRBEWOKWXPPR-UHFFFAOYSA-N -1 0 337.129 3.315 10 5 EGBERM O=C(NCC1(c2ccc(Cl)cc2)CC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000343280715 456505469 /nfs/dbraw/zinc/50/54/69/456505469.db2.gz UNSHKEVWZUZAEU-UHFFFAOYSA-N -1 0 346.770 3.415 10 5 EGBERM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@]2(C1)OCc1ccccc12 ZINC000339090562 456936243 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3.418 10 5 EGBERM CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])c2cc(F)ccc21 ZINC001300223868 1383654036 /nfs/dbraw/zinc/65/40/36/1383654036.db2.gz ZHNKMHXRPUCZOQ-UHFFFAOYSA-N -1 0 330.315 3.378 10 5 EGBERM O=C(Nc1nccc2c1cccc2[N+](=O)[O-])c1ccc(F)cc1[O-] ZINC001306862364 1383911837 /nfs/dbraw/zinc/91/18/37/1383911837.db2.gz IVXBWLNCHBRJES-UHFFFAOYSA-N -1 0 327.271 3.240 10 5 EGBERM CN(C(=O)c1cc([N+](=O)[O-])cc2ccccc21)C(C)(C)CC(=O)[O-] ZINC001351730763 1391679756 /nfs/dbraw/zinc/67/97/56/1391679756.db2.gz ZPZVBBOUPKYPLH-UHFFFAOYSA-N -1 0 330.340 3.073 10 5 EGBERM COCc1csc(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)c1 ZINC001354575347 1392153702 /nfs/dbraw/zinc/15/37/02/1392153702.db2.gz GCVSYHSRXMEEHB-UHFFFAOYSA-N -1 0 328.296 3.333 10 5 EGBERM C[C@](NC(=O)C1CCCCCCC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000864176917 939255834 /nfs/dbraw/zinc/25/58/34/939255834.db2.gz ZTQPTYZTWHTRSP-GOSISDBHSA-N -1 0 348.399 3.371 10 5 EGBERM Cc1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c3cnccc23)c(C)o1 ZINC000096007293 203794307 /nfs/dbraw/zinc/79/43/07/203794307.db2.gz RBDRIICOZVJHFM-UHFFFAOYSA-N -1 0 347.352 3.154 10 5 EGBERM C[C@@H](Sc1ccccc1C(=O)[O-])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000012916942 296213319 /nfs/dbraw/zinc/21/33/19/296213319.db2.gz XBPOGHDQJQAVAH-SNVBAGLBSA-N -1 0 346.364 3.412 10 5 EGBERM O=C(Nc1nc(-c2ccccc2F)co1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000377238436 169000303 /nfs/dbraw/zinc/00/03/03/169000303.db2.gz NVQRHHZUQCLNNL-UHFFFAOYSA-N -1 0 343.270 3.347 10 5 EGBERM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(F)c(C2CC2)c1 ZINC000337150676 163145564 /nfs/dbraw/zinc/14/55/64/163145564.db2.gz JCABFNVOROFFML-UHFFFAOYSA-N -1 0 336.344 3.412 10 5 EGBERM O=C(Nc1cccc(-c2ncco2)c1)c1cccc([O-])c1[N+](=O)[O-] ZINC000343794193 164035840 /nfs/dbraw/zinc/03/58/40/164035840.db2.gz BKTLXSDTGYCPJQ-UHFFFAOYSA-N -1 0 325.280 3.208 10 5 EGBERM COc1ccc(N(C)C(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1Cl ZINC000346388500 164378461 /nfs/dbraw/zinc/37/84/61/164378461.db2.gz QMTQQSDFFHHICD-UHFFFAOYSA-N -1 0 336.731 3.239 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307756975 /nfs/dbraw/zinc/75/69/75/307756975.db2.gz HQIMEOSHFSSIGI-UHFFFAOYSA-N -1 0 326.399 3.328 10 5 EGBERM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cnc2ccc(F)cc2c1 ZINC000155976313 307824530 /nfs/dbraw/zinc/82/45/30/307824530.db2.gz ZUQQKLAJINKZRM-UHFFFAOYSA-N -1 0 327.271 3.240 10 5 EGBERM Cc1cc(C)c([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)c(C)n1 ZINC000414455100 309081191 /nfs/dbraw/zinc/08/11/91/309081191.db2.gz GYSYPDCGJKLNBT-UHFFFAOYSA-N -1 0 349.412 3.333 10 5 EGBERM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCC[C@H](CC(F)(F)F)C1 ZINC000421968511 309348648 /nfs/dbraw/zinc/34/86/48/309348648.db2.gz RIMHCNPMTBIARC-SECBINFHSA-N -1 0 332.278 3.105 10 5 EGBERM C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436547843 309760282 /nfs/dbraw/zinc/76/02/82/309760282.db2.gz YNTHQMYLBJRKFB-WCBMZHEXSA-N -1 0 332.278 3.103 10 5 EGBERM Cc1nc(COC(C)(C)C)oc1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000568028936 316712249 /nfs/dbraw/zinc/71/22/49/316712249.db2.gz MIZZCBJKRDSPGR-UHFFFAOYSA-N -1 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C[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000093606284 454723787 /nfs/dbraw/zinc/72/37/87/454723787.db2.gz VWYDBUUVRUKYKO-KPZWWZAWSA-N -1 0 346.358 3.402 10 5 EGBERM O=C(N[C@H](c1ccccc1)c1ccncc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164524115 454884419 /nfs/dbraw/zinc/88/44/19/454884419.db2.gz UIROVXHQGMAAQO-GOSISDBHSA-N -1 0 349.346 3.215 10 5 EGBERM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cc(-c2cccs2)on1 ZINC000186018702 455676783 /nfs/dbraw/zinc/67/67/83/455676783.db2.gz ZGDCDYAQBTUYKB-UHFFFAOYSA-N -1 0 331.309 3.269 10 5 EGBERM CCCCCc1nnc(NC(=O)c2cccc([O-])c2[N+](=O)[O-])s1 ZINC000280770216 456048842 /nfs/dbraw/zinc/04/88/42/456048842.db2.gz MMESEMFLIDLZKS-UHFFFAOYSA-N -1 0 336.373 3.137 10 5 EGBERM C[C@@H](CNC(=O)c1cccc([O-])c1[N+](=O)[O-])Sc1ccccc1 ZINC000343145743 456433357 /nfs/dbraw/zinc/43/33/57/456433357.db2.gz COPWYZFYGPQABR-NSHDSACASA-N -1 0 332.381 3.211 10 5 EGBERM CCOc1cccc([C@H](C)NC(=O)c2cccc([O-])c2[N+](=O)[O-])c1 ZINC000343271432 456498981 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EGBERM O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1cccc(Cl)c1[O-] ZINC000362961908 457177156 /nfs/dbraw/zinc/17/71/56/457177156.db2.gz ZPFABKMYKHPGBF-UHFFFAOYSA-N -1 0 342.685 3.413 10 5 EGBERM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594466009 459055044 /nfs/dbraw/zinc/05/50/44/459055044.db2.gz DBPFVKMVOSFJSU-FPMFFAJLSA-N -1 0 348.399 3.077 10 5 EGBERM Cc1ccnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1C1CC1 ZINC000594728437 459143230 /nfs/dbraw/zinc/14/32/30/459143230.db2.gz HCOXJZLOZJCDHV-UHFFFAOYSA-N -1 0 347.396 3.285 10 5 EGBERM COc1cc([N+](=O)[O-])ccc1C[N@H+](CCC(=O)[O-])Cc1ccccc1 ZINC000595280535 459266273 /nfs/dbraw/zinc/26/62/73/459266273.db2.gz LFBBKIIXJQKPEF-UHFFFAOYSA-N -1 0 344.367 3.080 10 5 EGBERM Cc1cc(C)c(OCC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c(C)c1 ZINC000483442370 459369287 /nfs/dbraw/zinc/36/92/87/459369287.db2.gz UWHXWZQSPDCWOI-UHFFFAOYSA-N -1 0 330.340 3.243 10 5 EGBERM CCN(CCOc1ccccc1OC)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000595887059 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EGBERM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC[C@H](c2ccccc2)C1 ZINC000348922262 304501438 /nfs/dbraw/zinc/50/14/38/304501438.db2.gz UGYMKKOJGVMINF-AWEZNQCLSA-N -1 0 326.352 3.320 10 5 EGBERM CC1(C)C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c2ccccc2O1 ZINC000134342839 281315722 /nfs/dbraw/zinc/31/57/22/281315722.db2.gz NUCUNRXKQJOWIB-CYBMUJFWSA-N -1 0 342.351 3.333 10 5 EGBERM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000375742434 300529681 /nfs/dbraw/zinc/52/96/81/300529681.db2.gz HRGHBFOZRDQPIC-JSGCOSHPSA-N -1 0 326.352 3.319 10 5 EGBERM C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(F)cc1F ZINC000075350483 307399396 /nfs/dbraw/zinc/39/93/96/307399396.db2.gz NGTWRLPLSNAOCL-SECBINFHSA-N -1 0 336.294 3.112 10 5 EGBERM Cc1c(CN2CC[C@H](C(=O)[O-])c3ccccc32)cccc1[N+](=O)[O-] ZINC000325405157 308770005 /nfs/dbraw/zinc/77/00/05/308770005.db2.gz RFEVXYOXRZZGNK-HNNXBMFYSA-N -1 0 326.352 3.482 10 5 EGBERM COc1cc(CN=c2cc(C3(C)CCCC3)o[nH]2)cc([N+](=O)[O-])c1[O-] ZINC000432731315 309666996 /nfs/dbraw/zinc/66/69/96/309666996.db2.gz ORFWDVVGWQUANA-UHFFFAOYSA-N -1 0 347.371 3.163 10 5 EGBERM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC(F)(c2ccccc2)CC1 ZINC000447616568 309984487 /nfs/dbraw/zinc/98/44/87/309984487.db2.gz ZTRVQFODINHBFB-UHFFFAOYSA-N -1 0 344.342 3.401 10 5 EGBERM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000456563965 310412572 /nfs/dbraw/zinc/41/25/72/310412572.db2.gz JHNQBSDCHKLPLN-HNNXBMFYSA-N -1 0 328.324 3.261 10 5 EGBERM CN1CCC[C@@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c2ccccc21 ZINC000456600581 310414465 /nfs/dbraw/zinc/41/44/65/310414465.db2.gz DTVWFMSWNPZJPT-MRXNPFEDSA-N -1 0 341.367 3.002 10 5 EGBERM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCCC[C@H]1C(F)F ZINC000575752402 324473405 /nfs/dbraw/zinc/47/34/05/324473405.db2.gz PYODXFLBUPLANS-VIFPVBQESA-N -1 0 334.706 3.214 10 5 EGBERM Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H]2c2nc(C(=O)[O-])cs2)n1 ZINC000576111429 324549602 /nfs/dbraw/zinc/54/96/02/324549602.db2.gz ZGZCWUXLGCQXBU-NSHDSACASA-N -1 0 348.384 3.103 10 5 EGBERM C[C@H]1[C@H](C(F)(F)F)CCCN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000582423169 325440476 /nfs/dbraw/zinc/44/04/76/325440476.db2.gz KURVHDGLDVJWFY-GZMMTYOYSA-N -1 0 332.278 3.460 10 5 EGBERM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC000600877279 460627946 /nfs/dbraw/zinc/62/79/46/460627946.db2.gz QSVUJZVKXSGQSV-HNNXBMFYSA-N -1 0 348.399 3.223 10 5 EGBERM Cc1ccccc1-n1cc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC000166184411 454908307 /nfs/dbraw/zinc/90/83/07/454908307.db2.gz GUGFLAHKMHKEDX-UHFFFAOYSA-N -1 0 338.323 3.047 10 5 EGBERM C[C@@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000119094312 455125452 /nfs/dbraw/zinc/12/54/52/455125452.db2.gz SCBIDSGVALCKHE-VIFPVBQESA-N -1 0 336.294 3.112 10 5 EGBERM Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000186015420 455675797 /nfs/dbraw/zinc/67/57/97/455675797.db2.gz ARXOCCIIWUAOSW-UHFFFAOYSA-N -1 0 341.245 3.275 10 5 EGBERM Cc1cc(C)c(CCNC(=O)c2cccc([O-])c2[N+](=O)[O-])c(C)c1 ZINC000281162755 456150666 /nfs/dbraw/zinc/15/06/66/456150666.db2.gz IFULSSUWFADYNG-UHFFFAOYSA-N -1 0 328.368 3.198 10 5 EGBERM Cc1ccccc1[C@]1(F)CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000337643364 456451004 /nfs/dbraw/zinc/45/10/04/456451004.db2.gz GBCGYNLSKBRLSI-SFHVURJKSA-N -1 0 344.342 3.320 10 5 EGBERM O=C(c1cccc([O-])c1[N+](=O)[O-])N(Cc1ccc(F)cc1)CC1CC1 ZINC000343460136 456635390 /nfs/dbraw/zinc/63/53/90/456635390.db2.gz SSCADHFTIFHFSP-UHFFFAOYSA-N -1 0 344.342 3.492 10 5 EGBERM O=C(NCc1ccc(C2CC2)cc1F)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000358890859 457025947 /nfs/dbraw/zinc/02/59/47/457025947.db2.gz BCJWTOBLFLYRMB-UHFFFAOYSA-N -1 0 330.315 3.247 10 5 EGBERM O=C(N[C@H]1CCSc2ccc(F)cc21)c1cc([O-])ccc1[N+](=O)[O-] ZINC000351503719 457300646 /nfs/dbraw/zinc/30/06/46/457300646.db2.gz XDVBKVZZZMGURJ-ZDUSSCGKSA-N -1 0 348.355 3.406 10 5 EGBERM C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000360883466 457405396 /nfs/dbraw/zinc/40/53/96/457405396.db2.gz KHJNSQUXFQSJGA-QPUJVOFHSA-N -1 0 332.278 3.103 10 5 EGBERM C[C@]1(c2ccc(F)cc2)CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000366466446 457817597 /nfs/dbraw/zinc/81/75/97/457817597.db2.gz PTMRJHRYLHJJNX-SFHVURJKSA-N -1 0 344.342 3.243 10 5 EGBERM CC1(c2ccccc2)CC(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000367527327 457960700 /nfs/dbraw/zinc/96/07/00/457960700.db2.gz ZQWXLJMCEMBPBR-UHFFFAOYSA-N -1 0 326.352 3.151 10 5 EGBERM COc1cc(C)c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1C ZINC000435722047 458189943 /nfs/dbraw/zinc/18/99/43/458189943.db2.gz HBSOBMUJUKAKRH-UHFFFAOYSA-N -1 0 336.369 3.021 10 5 EGBERM O=C([O-])C[C@H](CNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)C1CC1 ZINC000594735285 459145437 /nfs/dbraw/zinc/14/54/37/459145437.db2.gz KGYFIACNOQZLKL-GFCCVEGCSA-N -1 0 347.396 3.053 10 5 EGBERM C[C@@H](NS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C1CCCC1 ZINC000594753705 459151715 /nfs/dbraw/zinc/15/17/15/459151715.db2.gz LHMQIQGRYPJVAJ-LLVKDONJSA-N -1 0 349.412 3.000 10 5 EGBERM COc1cc(C[N@H+](CCC(=O)[O-])Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000595280594 459266753 /nfs/dbraw/zinc/26/67/53/459266753.db2.gz OVAXJOVPLCTBIB-UHFFFAOYSA-N -1 0 344.367 3.080 10 5 EGBERM O=C([O-])[C@H](CNc1ccc([N+](=O)[O-])cc1OC(F)F)C1CCC1 ZINC000595978601 459491787 /nfs/dbraw/zinc/49/17/87/459491787.db2.gz ZSBDAVFSAXYDBI-SNVBAGLBSA-N -1 0 330.287 3.109 10 5 EGBERM Cc1cnc(C)c([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)c1 ZINC000593281280 459828027 /nfs/dbraw/zinc/82/80/27/459828027.db2.gz GXPMADLJRQSAKM-UHFFFAOYSA-N -1 0 335.385 3.024 10 5 EGBERM COc1cccc(C2(NC(=O)c3cccc([O-])c3[N+](=O)[O-])CCC2)c1 ZINC000598424821 459896359 /nfs/dbraw/zinc/89/63/59/459896359.db2.gz GKEUURPHSFUYCS-UHFFFAOYSA-N -1 0 342.351 3.118 10 5 EGBERM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC2(CCC2)[C@@H]1c1ccncc1 ZINC000598572833 459943788 /nfs/dbraw/zinc/94/37/88/459943788.db2.gz MTRBYJYFZLJDTN-INIZCTEOSA-N -1 0 339.351 3.063 10 5 EGBERM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cccn1Cc1ccccc1 ZINC000614271971 460077296 /nfs/dbraw/zinc/07/72/96/460077296.db2.gz LGVDNZNOXSWFNF-UHFFFAOYSA-N -1 0 337.335 3.403 10 5 EGBERM O=C(Nc1cccc(C2CCOCC2)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000600428073 460494370 /nfs/dbraw/zinc/49/43/70/460494370.db2.gz UZIVOMKCLUOMSP-UHFFFAOYSA-N -1 0 342.351 3.447 10 5 EGBERM O=C([O-])CCN(CC1CC1)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000864113986 1329599208 /nfs/dbraw/zinc/59/92/08/1329599208.db2.gz DSZUOOBVNSRTHE-UHFFFAOYSA-N -1 0 342.351 3.075 10 5 EGBERM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])C1([C@@H]2CCCCO2)CCC1 ZINC000869808337 1330568189 /nfs/dbraw/zinc/56/81/89/1330568189.db2.gz BSUNSXRHUJIGAQ-HNNXBMFYSA-N -1 0 335.356 3.083 10 5 EGBERM O=C(c1cccc(F)c1[O-])N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001127710977 1373165563 /nfs/dbraw/zinc/16/55/63/1373165563.db2.gz UFWBTPJWWVOELZ-UHFFFAOYSA-N -1 0 330.315 3.244 10 5 EGBERM O=C(NCCCn1ccc2ccccc21)c1ccc([N+](=O)[O-])cc1[O-] ZINC001135886868 1377250728 /nfs/dbraw/zinc/25/07/28/1377250728.db2.gz UHLPRIRYQLZMLO-UHFFFAOYSA-N -1 0 339.351 3.075 10 5 EGBERM Cc1c(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])oc2ccc(F)cc12 ZINC001136805923 1377425059 /nfs/dbraw/zinc/42/50/59/1377425059.db2.gz XWXJZNDJMYEYDY-UHFFFAOYSA-N -1 0 344.298 3.424 10 5 EGBERM CCN(CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC001137825443 1377622663 /nfs/dbraw/zinc/62/26/63/1377622663.db2.gz LRHAKSMFVIUEFE-UHFFFAOYSA-N -1 0 349.774 3.419 10 5 EGBERM CC1(C)Cc2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])c2O1 ZINC001138013916 1377666370 /nfs/dbraw/zinc/66/63/70/1377666370.db2.gz YSQIPUUTVQKTBG-UHFFFAOYSA-N -1 0 328.324 3.266 10 5 EGBERM CCO[C@@H](CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C)C ZINC001148996970 1379309418 /nfs/dbraw/zinc/30/94/18/1379309418.db2.gz OAIQXHLLPJQGAE-ZDUSSCGKSA-N -1 0 344.795 3.135 10 5 EGBERM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@]12CCO[C@@H]1CCCC2 ZINC001152456376 1379937248 /nfs/dbraw/zinc/93/72/48/1379937248.db2.gz ZPNOJXBKNOYTML-DOMZBBRYSA-N -1 0 340.763 3.242 10 5 EGBERM CCSc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC001153398479 1380070776 /nfs/dbraw/zinc/07/07/76/1380070776.db2.gz UDBOQBHRHMIUAS-UHFFFAOYSA-N -1 0 332.381 3.342 10 5 EGBERM Cc1cc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)ccc1-n1ccnc1 ZINC001292863306 1382222234 /nfs/dbraw/zinc/22/22/34/1382222234.db2.gz CZLQPPBJIUGGEZ-UHFFFAOYSA-N -1 0 338.323 3.047 10 5 EGBERM O=C(N[C@H](Cc1ccccc1)C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001293406081 1382283373 /nfs/dbraw/zinc/28/33/73/1382283373.db2.gz KGBINDBHWHOAKT-MRXNPFEDSA-N -1 0 326.352 3.052 10 5 EGBERM O=C(N[C@@H]1CCCc2c(F)cc(F)cc21)c1cccc([N+](=O)[O-])c1[O-] ZINC001298617243 1383415047 /nfs/dbraw/zinc/41/50/47/1383415047.db2.gz APUJINITSJRKQH-CQSZACIVSA-N -1 0 348.305 3.386 10 5 EGBERM O=C(N[C@H]1c2ccccc2CC[C@@H]1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC001302993769 1383777439 /nfs/dbraw/zinc/77/74/39/1383777439.db2.gz BHBDRCDOKAIYQU-HOCLYGCPSA-N -1 0 330.315 3.056 10 5 EGBERM O=[N+]([O-])c1ccc([O-])cc1CN(CCCO)c1ccc(Cl)cc1 ZINC001307828674 1384038423 /nfs/dbraw/zinc/03/84/23/1384038423.db2.gz XJGQMGHCNIJXNK-UHFFFAOYSA-N -1 0 336.775 3.343 10 5 EGBERM O=C([O-])C[C@H](NC(=O)OCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000002581470 1424788705 /nfs/dbraw/zinc/78/87/05/1424788705.db2.gz XMXBBEUATNUONG-HNNXBMFYSA-N -1 0 344.323 3.037 10 5 EGBERM O=[N+]([O-])c1c([N-]c2ccccn2)ncnc1Nc1cccnc1Cl ZINC000040646936 213364322 /nfs/dbraw/zinc/36/43/22/213364322.db2.gz XTKGIZJHODPWGE-UHFFFAOYSA-N -1 0 343.734 3.315 10 5 EGBERM Cc1cccnc1[N-]c1ncnc(NCc2ccccc2)c1[N+](=O)[O-] ZINC000040599250 213358237 /nfs/dbraw/zinc/35/82/37/213358237.db2.gz DJYQGGWJGFOFFQ-UHFFFAOYSA-N -1 0 336.355 3.444 10 5 EGBERM O=C(NCc1cccc(-c2cccnc2)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000372191218 168709161 /nfs/dbraw/zinc/70/91/61/168709161.db2.gz IPDGGTPSLOMTOX-UHFFFAOYSA-N -1 0 349.346 3.292 10 5 EGBERM O=C(Nc1ccc(-c2cnco2)cc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000346226830 164359460 /nfs/dbraw/zinc/35/94/60/164359460.db2.gz WXUCMXMYAQKCTI-UHFFFAOYSA-N -1 0 325.280 3.208 10 5 EGBERM COc1ccc([C@H](NC(=O)c2cccc([O-])c2[N+](=O)[O-])C2CC2)cc1 ZINC000359268666 167110766 /nfs/dbraw/zinc/11/07/66/167110766.db2.gz XESLKNPEOHACKM-MRXNPFEDSA-N -1 0 342.351 3.190 10 5 EGBERM CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000194396091 266114034 /nfs/dbraw/zinc/11/40/34/266114034.db2.gz SMHOWJZJMVUNKY-UHFFFAOYSA-N -1 0 338.722 3.365 10 5 EGBERM O=C(Nc1nc(-c2ccccn2)cs1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000185695162 275216149 /nfs/dbraw/zinc/21/61/49/275216149.db2.gz STWVQALNXZSUEB-UHFFFAOYSA-N -1 0 342.336 3.071 10 5 EGBERM O=C(N[C@@H]1CCCc2ccc(F)cc21)c1cc([O-])ccc1[N+](=O)[O-] ZINC000355435706 303864739 /nfs/dbraw/zinc/86/47/39/303864739.db2.gz OYMPIZAEMQNOOD-OAHLLOKOSA-N -1 0 330.315 3.247 10 5 EGBERM COc1ccc([C@H](C)CC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000166127974 307930477 /nfs/dbraw/zinc/93/04/77/307930477.db2.gz ARJLZDCKMRNYGB-LLVKDONJSA-N -1 0 330.340 3.441 10 5 EGBERM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cc(F)cc(F)c1F ZINC000431167737 309627129 /nfs/dbraw/zinc/62/71/29/309627129.db2.gz FFBZTVFLINLMLO-UHFFFAOYSA-N -1 0 346.286 3.121 10 5 EGBERM O=C(N[C@H]1CCCOc2ccc(F)cc21)c1cccc([N+](=O)[O-])c1[O-] ZINC000436774670 309773378 /nfs/dbraw/zinc/77/33/78/309773378.db2.gz BMRKXQGRXSSVFB-ZDUSSCGKSA-N -1 0 346.314 3.083 10 5 EGBERM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(C3CC3)n2)c1 ZINC000451041988 310157305 /nfs/dbraw/zinc/15/73/05/310157305.db2.gz PGLREJNLVQLCTL-UHFFFAOYSA-N -1 0 347.396 3.285 10 5 EGBERM O=C(NCC[C@H]1CCc2ccccc21)c1cc([O-])ccc1[N+](=O)[O-] ZINC000452317547 310222922 /nfs/dbraw/zinc/22/29/22/310222922.db2.gz QENDPZFSZVMSDS-CYBMUJFWSA-N -1 0 326.352 3.150 10 5 EGBERM CC1(C)CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000571048943 317144792 /nfs/dbraw/zinc/14/47/92/317144792.db2.gz BMMMUMJOVNHGNO-SNVBAGLBSA-N -1 0 347.293 3.103 10 5 EGBERM Cc1cc(-c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)cc2[nH]cnc21 ZINC000350642918 324109657 /nfs/dbraw/zinc/10/96/57/324109657.db2.gz HQJQXDUHZSSOHT-UHFFFAOYSA-N -1 0 337.295 3.202 10 5 EGBERM Cc1nc([C@@H]2CCCN2C(=O)c2cccc([N+](=O)[O-])c2[O-])cs1 ZINC000189997539 455269192 /nfs/dbraw/zinc/26/91/92/455269192.db2.gz PIFQIZBYDOIVQO-LBPRGKRZSA-N -1 0 333.369 3.043 10 5 EGBERM Cc1c(C(=O)N[C@@]2(C(=O)[O-])CCCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000600868383 460625117 /nfs/dbraw/zinc/62/51/17/460625117.db2.gz CRLJMJDWLMBIIJ-KRWDZBQOSA-N -1 0 334.372 3.057 10 5 EGBERM C[C@](NC(=O)[C@@H]1CCCC(C)(C)C1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600871325 460626491 /nfs/dbraw/zinc/62/64/91/460626491.db2.gz ATFGQHALDCQBIZ-KZULUSFZSA-N -1 0 348.399 3.227 10 5 EGBERM CCC[C@@H]1CCC[C@@H]1C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600872466 460626758 /nfs/dbraw/zinc/62/67/58/460626758.db2.gz CGNMEJVSCKBALF-MRAWALMUSA-N -1 0 348.399 3.227 10 5 EGBERM C[C@](NC(=O)CC1(C)CCCCC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600882685 460629642 /nfs/dbraw/zinc/62/96/42/460629642.db2.gz UTPMGHYCSBKRSV-GOSISDBHSA-N -1 0 348.399 3.371 10 5 EGBERM 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C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000377822556 458542399 /nfs/dbraw/zinc/54/23/99/458542399.db2.gz BNVXQEXAGDEWJS-IUODEOHRSA-N -1 0 326.352 3.319 10 5 EGBERM CC(=O)c1cc(N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)ccc1[N+](=O)[O-] ZINC000594541164 459083982 /nfs/dbraw/zinc/08/39/82/459083982.db2.gz QIUNWGJUPKRXLK-BIGNPOOSSA-N -1 0 334.372 3.345 10 5 EGBERM Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC000595243383 459260910 /nfs/dbraw/zinc/26/09/10/459260910.db2.gz DNZUSVLLFIPQGY-YCPHGPKFSA-N -1 0 346.383 3.009 10 5 EGBERM Cc1cc(N2CC[C@@H](Oc3ccccc3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000595280593 459265879 /nfs/dbraw/zinc/26/58/79/459265879.db2.gz OOHYTJLHXGFLHB-OAHLLOKOSA-N -1 0 342.351 3.259 10 5 EGBERM CN(C[C@H]1CCc2ccccc21)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000598471489 459907275 /nfs/dbraw/zinc/90/72/75/459907275.db2.gz UESGVYSQAOMYJZ-CYBMUJFWSA-N -1 0 326.352 3.102 10 5 EGBERM C[C@@H]1CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCc2ccccc21 ZINC000593856459 460004098 /nfs/dbraw/zinc/00/40/98/460004098.db2.gz XFOXARGIGXLNLV-GFCCVEGCSA-N -1 0 326.352 3.102 10 5 EGBERM CC(C)(C)OC(=O)CCCCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000594333980 460189201 /nfs/dbraw/zinc/18/92/01/460189201.db2.gz HDAGOWHLFAJDDH-UHFFFAOYSA-N -1 0 338.360 3.141 10 5 EGBERM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000125264985 518189957 /nfs/dbraw/zinc/18/99/57/518189957.db2.gz NBYWLUGKXOKRSO-UHFFFAOYSA-N -1 0 344.751 3.497 10 5 EGBERM COCc1c2ccccc2oc1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000361656280 536695923 /nfs/dbraw/zinc/69/59/23/536695923.db2.gz SASKHGTYABTJOO-UHFFFAOYSA-N -1 0 342.307 3.445 10 5 EGBERM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC2(CCC2)[C@H]1c1cccnc1 ZINC000898410041 1310721634 /nfs/dbraw/zinc/72/16/34/1310721634.db2.gz PTTULSUMSWWTLN-MRXNPFEDSA-N -1 0 339.351 3.063 10 5 EGBERM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000899421152 1317028909 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213364756 /nfs/dbraw/zinc/36/47/56/213364756.db2.gz MKWIWVUXSZMYNV-UHFFFAOYSA-N -1 0 346.343 3.092 10 5 EGBERM O=[N+]([O-])c1ccc2[nH]cc(S(=O)(=O)[N-]c3ccc(F)cc3)c2c1 ZINC000020491984 212138998 /nfs/dbraw/zinc/13/89/98/212138998.db2.gz SALATMBQAAIGEX-UHFFFAOYSA-N -1 0 335.316 3.016 10 5 EGBERM C[C@@H](Nc1ncnc2scc(-c3cccc([N+](=O)[O-])c3)c21)C(=O)[O-] ZINC000082584454 217488007 /nfs/dbraw/zinc/48/80/07/217488007.db2.gz LKXJOUFNCYMECZ-MRVPVSSYSA-N -1 0 344.352 3.152 10 5 EGBERM Cc1nc2cc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)ccc2o1 ZINC000012536093 258054533 /nfs/dbraw/zinc/05/45/33/258054533.db2.gz GCFDJKYMPYUUGW-UHFFFAOYSA-N -1 0 347.352 3.154 10 5 EGBERM CN(Cc1nc2ccccc2s1)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000356315646 141340298 /nfs/dbraw/zinc/34/02/98/141340298.db2.gz UTCGYBNYKAMSEL-UHFFFAOYSA-N -1 0 343.364 3.182 10 5 EGBERM Cc1c2ccccc2oc1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000115714693 152027747 /nfs/dbraw/zinc/02/77/47/152027747.db2.gz PHRYAXDNMFXWEE-UHFFFAOYSA-N -1 0 326.308 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O=C([N-]c1cc(F)cc(Br)c1F)c1ccc([N+](=O)[O-])o1 ZINC000344306564 164151350 /nfs/dbraw/zinc/15/13/50/164151350.db2.gz LRGATKWGWGHMPU-UHFFFAOYSA-N -1 0 347.071 3.481 10 5 EGBERM C[C@@H](CCOCc1ccccc1)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000360583400 167363156 /nfs/dbraw/zinc/36/31/56/167363156.db2.gz XIDXIJGMFKCEQV-ZDUSSCGKSA-N -1 0 344.367 3.026 10 5 EGBERM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1ccccc1OC(F)F ZINC000195406000 266180378 /nfs/dbraw/zinc/18/03/78/266180378.db2.gz KOENFDBTJXVPLD-AATRIKPKSA-N -1 0 336.250 3.460 10 5 EGBERM CC1(C)CN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])Cc2ccccc2O1 ZINC000356585220 281219960 /nfs/dbraw/zinc/21/99/60/281219960.db2.gz WLWSTSUWPKBLPJ-UHFFFAOYSA-N -1 0 342.351 3.114 10 5 EGBERM Cc1cc(S(=O)(=O)[N-]c2cccc(C3CC3)n2)c(C)cc1[N+](=O)[O-] ZINC000414455583 309081327 /nfs/dbraw/zinc/08/13/27/309081327.db2.gz SGEJSGSQXDZMGD-UHFFFAOYSA-N -1 0 347.396 3.285 10 5 EGBERM C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000296739197 308462127 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ZINC000079667267 454461208 /nfs/dbraw/zinc/46/12/08/454461208.db2.gz NOMREFHELTUJFR-OAHLLOKOSA-N -1 0 344.342 3.287 10 5 EGBERM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC(c2ccc(O)cc2)CC1 ZINC000272336020 455918005 /nfs/dbraw/zinc/91/80/05/455918005.db2.gz GFBHACUPDJXOOZ-UHFFFAOYSA-N -1 0 342.351 3.026 10 5 EGBERM Cc1cc([N+](=O)[O-])cnc1N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263566266 456169624 /nfs/dbraw/zinc/16/96/24/456169624.db2.gz WKUAAFUHVZRYRP-CQSZACIVSA-N -1 0 329.356 3.186 10 5 EGBERM Cc1ccc2c(c1)[C@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])CCC2 ZINC000344698237 456849652 /nfs/dbraw/zinc/84/96/52/456849652.db2.gz NGDXTWJJEFCBIL-MRXNPFEDSA-N -1 0 326.352 3.416 10 5 EGBERM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@]2(C1)OCc1ccccc12 ZINC000339090555 456936964 /nfs/dbraw/zinc/93/69/64/456936964.db2.gz KICHDZGZKQMMAD-IBGZPJMESA-N -1 0 340.379 3.322 10 5 EGBERM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1cc(-n2ccnc2)cs1 ZINC000342243822 457188385 /nfs/dbraw/zinc/18/83/85/457188385.db2.gz 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301306098 /nfs/dbraw/zinc/30/60/98/301306098.db2.gz JKJIVSMTMMEXLM-UHFFFAOYSA-N -1 0 329.287 3.482 10 5 EGBERM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000237663267 302181850 /nfs/dbraw/zinc/18/18/50/302181850.db2.gz IFGAKECRJUQGLP-HNNXBMFYSA-N -1 0 342.351 3.157 10 5 EGBERM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)c(C)cc1[N+](=O)[O-] ZINC000414379845 309076615 /nfs/dbraw/zinc/07/66/15/309076615.db2.gz HFJARFWCKNNENO-UHFFFAOYSA-N -1 0 348.380 3.043 10 5 EGBERM Cc1cc(S(=O)(=O)[N-]c2cc(C(C)C)on2)c(C)cc1[N+](=O)[O-] ZINC000414445052 309080758 /nfs/dbraw/zinc/08/07/58/309080758.db2.gz RFQHAWMGXYXNST-UHFFFAOYSA-N -1 0 339.373 3.124 10 5 EGBERM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C3CC3)n2)cc1[N+](=O)[O-] ZINC000451045093 310157499 /nfs/dbraw/zinc/15/74/99/310157499.db2.gz WWHKRJIABNXDHU-UHFFFAOYSA-N -1 0 347.396 3.285 10 5 EGBERM O=C(NCC[C@@H]1CCc2ccccc21)c1cc([O-])ccc1[N+](=O)[O-] ZINC000452317548 310222933 /nfs/dbraw/zinc/22/29/33/310222933.db2.gz QENDPZFSZVMSDS-ZDUSSCGKSA-N -1 0 326.352 3.150 10 5 EGBERM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000183911707 323634700 /nfs/dbraw/zinc/63/47/00/323634700.db2.gz SNYUZKWFRFWSHS-UHFFFAOYSA-N -1 0 342.286 3.082 10 5 EGBERM O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)[N-]c1cccc2cccnc21 ZINC000008746698 453233216 /nfs/dbraw/zinc/23/32/16/453233216.db2.gz DDNLEDOTIGJFDJ-UHFFFAOYSA-N -1 0 347.327 3.083 10 5 EGBERM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1csc(Br)c1 ZINC000089773164 454196015 /nfs/dbraw/zinc/19/60/15/454196015.db2.gz AGVQTPOKSCXTAA-UHFFFAOYSA-N -1 0 343.158 3.377 10 5 EGBERM C[C@@H]1CCC[C@@H](CC(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)C1 ZINC000600876310 460628264 /nfs/dbraw/zinc/62/82/64/460628264.db2.gz POFDJCUFVHMFDD-SNUQEOBHSA-N -1 0 348.399 3.227 10 5 EGBERM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccc(Br)s1 ZINC000155976438 455068694 /nfs/dbraw/zinc/06/86/94/455068694.db2.gz MCDHXFRBQZYTMW-UHFFFAOYSA-N -1 0 343.158 3.377 10 5 EGBERM O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000161444191 455571046 /nfs/dbraw/zinc/57/10/46/455571046.db2.gz JSMZXWGVOGYXBN-IUCAKERBSA-N -1 0 332.278 3.151 10 5 EGBERM C[C@H](OCCCNC(=O)c1cccc([O-])c1[N+](=O)[O-])c1ccccc1 ZINC000280825354 456060525 /nfs/dbraw/zinc/06/05/25/456060525.db2.gz SFPDRNJFRZARKP-ZDUSSCGKSA-N -1 0 344.367 3.198 10 5 EGBERM CN(C)c1c(Cl)cccc1NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000343082267 456394593 /nfs/dbraw/zinc/39/45/93/456394593.db2.gz KZLKDENEWUPMCX-UHFFFAOYSA-N -1 0 335.747 3.272 10 5 EGBERM CCOc1cccc([C@@H](C)NC(=O)c2cccc([O-])c2[N+](=O)[O-])c1 ZINC000343271428 456499036 /nfs/dbraw/zinc/49/90/36/456499036.db2.gz QUBVSYJJLBXSRM-LLVKDONJSA-N -1 0 330.340 3.190 10 5 EGBERM CC[C@@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])c1cc(F)ccc1F ZINC000343420535 456608481 /nfs/dbraw/zinc/60/84/81/456608481.db2.gz LMRWBZXQVGSTIV-CYBMUJFWSA-N -1 0 336.294 3.460 10 5 EGBERM CC(C)C(=O)Nc1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000348510292 456723010 /nfs/dbraw/zinc/72/30/10/456723010.db2.gz SZTQQMHBJTYUDJ-UHFFFAOYSA-N -1 0 343.339 3.147 10 5 EGBERM CC(C)(CO)[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1cccs1 ZINC000339198357 456987581 /nfs/dbraw/zinc/98/75/81/456987581.db2.gz IGESVHYELSNVCO-HNNXBMFYSA-N -1 0 336.413 3.211 10 5 EGBERM CC(C)O[C@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000346321692 457033041 /nfs/dbraw/zinc/03/30/41/457033041.db2.gz IPGXZZMZRCWUHS-INIZCTEOSA-N -1 0 330.340 3.405 10 5 EGBERM CC(C)(C)C[C@@H](O)CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000362979979 457183407 /nfs/dbraw/zinc/18/34/07/457183407.db2.gz MHKLSKROBVAURH-VIFPVBQESA-N -1 0 330.768 3.080 10 5 EGBERM O=C(Nc1cnc(-c2ccccc2)nc1)c1cccc([O-])c1[N+](=O)[O-] ZINC000342681776 457453040 /nfs/dbraw/zinc/45/30/40/457453040.db2.gz RBFAQPYKJCWEAC-UHFFFAOYSA-N -1 0 336.307 3.010 10 5 EGBERM O=C([O-])C1(c2ccc(-c3cc([N+](=O)[O-])ccc3CCO)cc2)CCC1 ZINC000594874383 459163952 /nfs/dbraw/zinc/16/39/52/459163952.db2.gz JOUMDUBPYATVGG-UHFFFAOYSA-N -1 0 341.363 3.303 10 5 EGBERM CC(C)Oc1cc(C(=O)[O-])ccc1-c1cc([N+](=O)[O-])ccc1CCO ZINC000594874472 459165668 /nfs/dbraw/zinc/16/56/68/459165668.db2.gz QIZKHMQBXLTUHX-UHFFFAOYSA-N -1 0 345.351 3.282 10 5 EGBERM Cc1sc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)nc1C(=O)[O-] ZINC000578536374 459217513 /nfs/dbraw/zinc/21/75/13/459217513.db2.gz ADSXWMWJHXQCBM-UHFFFAOYSA-N -1 0 333.369 3.227 10 5 EGBERM Cc1c(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000595246297 459261331 /nfs/dbraw/zinc/26/13/31/459261331.db2.gz YYNFCDSSJFANMF-DZKIICNBSA-N -1 0 346.383 3.009 10 5 EGBERM CC(C)(C)O[C@H]1C[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])C12CCC2 ZINC000598296323 459851701 /nfs/dbraw/zinc/85/17/01/459851701.db2.gz MFNUWQLWNYDDRN-GJZGRUSLSA-N -1 0 348.399 3.157 10 5 EGBERM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1Cc2ccccc2C(F)(F)C1 ZINC000586799747 459877704 /nfs/dbraw/zinc/87/77/04/459877704.db2.gz XJACKZTXAKXEGD-UHFFFAOYSA-N -1 0 334.278 3.048 10 5 EGBERM Cc1cc(N2CCSC3(CCC3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000574879740 459887060 /nfs/dbraw/zinc/88/70/60/459887060.db2.gz JEQXZOOJKKUGCW-UHFFFAOYSA-N -1 0 336.413 3.467 10 5 EGBERM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CC2(CCC2)[C@H]1c1ccncc1 ZINC000598569829 459942244 /nfs/dbraw/zinc/94/22/44/459942244.db2.gz FEJVARSIYDPFNW-MRXNPFEDSA-N -1 0 339.351 3.063 10 5 EGBERM CC[C@@H](OCCNC(=O)c1cccc([O-])c1[N+](=O)[O-])c1ccccc1 ZINC000593784742 459985333 /nfs/dbraw/zinc/98/53/33/459985333.db2.gz BHGCGDHUICHGKH-MRXNPFEDSA-N -1 0 344.367 3.198 10 5 EGBERM CC[C@@H](OCCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1 ZINC000593788224 459986882 /nfs/dbraw/zinc/98/68/82/459986882.db2.gz YQCDNHBFUMNXFC-QGZVFWFLSA-N -1 0 344.367 3.198 10 5 EGBERM O=C(c1cccc([N+](=O)[O-])c1[O-])N(Cc1ccccc1F)CC1CC1 ZINC000598250360 460221630 /nfs/dbraw/zinc/22/16/30/460221630.db2.gz AQBYWYWVKNIQBM-UHFFFAOYSA-N -1 0 344.342 3.492 10 5 EGBERM Cc1ccc([N+](=O)[O-])cc1C(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC000610837752 460246428 /nfs/dbraw/zinc/24/64/28/460246428.db2.gz IUYCQWFGYCFZMD-UHFFFAOYSA-N -1 0 342.351 3.020 10 5 EGBERM CC[C@@]1(C)Oc2ccc(NC(=O)c3cc([O-])ccc3[N+](=O)[O-])cc2O1 ZINC000356848366 536076862 /nfs/dbraw/zinc/07/68/62/536076862.db2.gz MDXNOKFFECLJKK-KRWDZBQOSA-N -1 0 344.323 3.450 10 5 EGBERM C[C@@]1(c2ccccc2)CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000370737986 547791754 /nfs/dbraw/zinc/79/17/54/547791754.db2.gz PKPICIHQZRLTGZ-GOSISDBHSA-N -1 0 326.352 3.104 10 5 EGBERM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC2(CCC2)[C@H]1c1cccnc1 ZINC000898411904 1310723483 /nfs/dbraw/zinc/72/34/83/1310723483.db2.gz YSKNPUUIGBICFI-MRXNPFEDSA-N -1 0 339.351 3.063 10 5 EGBERM CC(C)(C)c1ccc(C(=O)N[C@](C)(CC(=O)[O-])C2CC2)cc1[N+](=O)[O-] ZINC000864200309 1329606001 /nfs/dbraw/zinc/60/60/01/1329606001.db2.gz VTAVVVBGGWLHDT-GOSISDBHSA-N -1 0 348.399 3.266 10 5 EGBERM O=C(c1cccc(F)c1[O-])N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC001126308975 1372956174 /nfs/dbraw/zinc/95/61/74/1372956174.db2.gz QWAHWKFTNZPNEM-MRXNPFEDSA-N -1 0 348.355 3.327 10 5 EGBERM O=C(Nc1ccc(F)cc1NC1CC1)c1cccc([N+](=O)[O-])c1[O-] ZINC001137524824 1377560874 /nfs/dbraw/zinc/56/08/74/1377560874.db2.gz UOOREEZNKHHRIB-UHFFFAOYSA-N -1 0 331.303 3.266 10 5 EGBERM Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])ccc1-n1ccnc1 ZINC001143939659 1378662672 /nfs/dbraw/zinc/66/26/72/1378662672.db2.gz LCZAYBKJEXJVJT-UHFFFAOYSA-N -1 0 338.323 3.047 10 5 EGBERM O=C(N[C@H](c1ccc(F)cc1F)C1CC1)c1cccc([N+](=O)[O-])c1[O-] ZINC001148378490 1379159453 /nfs/dbraw/zinc/15/94/53/1379159453.db2.gz IUHQQGFKULXEHQ-HNNXBMFYSA-N -1 0 348.305 3.460 10 5 EGBERM CC1(c2ccccc2)CC(NC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC001156158305 1380533240 /nfs/dbraw/zinc/53/32/40/1380533240.db2.gz SGPOIZZNWKVBKI-UHFFFAOYSA-N -1 0 326.352 3.151 10 5 EGBERM CC1(c2cc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])no2)CCCC1 ZINC001306832754 1383908709 /nfs/dbraw/zinc/90/87/09/1383908709.db2.gz XSLTWHLMYNIKNX-UHFFFAOYSA-N -1 0 331.328 3.372 10 5 EGBERM O=C(N[C@H]1CCOc2c(Cl)cccc21)c1cc([O-])ccc1[N+](=O)[O-] ZINC000377809296 303979583 /nfs/dbraw/zinc/97/95/83/303979583.db2.gz NHARXFMAQMNGFC-ZDUSSCGKSA-N -1 0 348.742 3.207 10 5 EGBERM Cc1nc([N-]S(=O)(=O)c2cccc(Cl)c2C)ccc1[N+](=O)[O-] ZINC000095995721 218500926 /nfs/dbraw/zinc/50/09/26/218500926.db2.gz ZZUHLQDPNHIVAL-UHFFFAOYSA-N -1 0 341.776 3.061 10 5 EGBERM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cccc([C@H]2CCCOC2)c1 ZINC000356316016 141340508 /nfs/dbraw/zinc/34/05/08/141340508.db2.gz AKNURGVXFYBXMU-AWEZNQCLSA-N -1 0 342.351 3.447 10 5 EGBERM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000164397861 143983774 /nfs/dbraw/zinc/98/37/74/143983774.db2.gz WLEATYXQTFRKLY-HNNXBMFYSA-N -1 0 344.342 3.287 10 5 EGBERM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cccn1Cc1cccs1 ZINC000186011905 152997141 /nfs/dbraw/zinc/99/71/41/152997141.db2.gz LZRJXOSNFCZXJE-UHFFFAOYSA-N -1 0 343.364 3.464 10 5 EGBERM CCCc1nc(=NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)s[n-]1 ZINC000342339109 163852731 /nfs/dbraw/zinc/85/27/31/163852731.db2.gz NQTRLCOONFXLBA-UHFFFAOYSA-N -1 0 334.401 3.196 10 5 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455440750 /nfs/dbraw/zinc/44/07/50/455440750.db2.gz TYHCVGLSHRVFAV-NSHDSACASA-N -1 0 340.339 3.058 10 5 EGBERM Cn1cccc1[C@H]1CCCCN1C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000280986159 456100385 /nfs/dbraw/zinc/10/03/85/456100385.db2.gz PZAQSWNRSHKVBJ-CQSZACIVSA-N -1 0 329.356 3.006 10 5 EGBERM C[C@@H](CN(C)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000263143695 456100554 /nfs/dbraw/zinc/10/05/54/456100554.db2.gz ZWJLWAWQVFDNJM-JTQLQIEISA-N -1 0 337.376 3.077 10 5 EGBERM Cc1ccc([N+](=O)[O-])c(N[C@H](CCC(=O)[O-])Cc2ccccc2)n1 ZINC000263543586 456162937 /nfs/dbraw/zinc/16/29/37/456162937.db2.gz FILLWFCLLZREHN-CQSZACIVSA-N -1 0 329.356 3.186 10 5 EGBERM CC(C)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000324558575 456668733 /nfs/dbraw/zinc/66/87/33/456668733.db2.gz RQFQRGYHINARCG-AAEUAGOBSA-N -1 0 344.408 3.227 10 5 EGBERM Cc1nn(-c2ccccc2)cc1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000354658346 457301712 /nfs/dbraw/zinc/30/17/12/457301712.db2.gz QSNNKMOTTCACOO-UHFFFAOYSA-N 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1377665439 /nfs/dbraw/zinc/66/54/39/1377665439.db2.gz TYXCZPFVQYFXQS-QASKLWRZSA-N -1 0 330.315 3.309 10 5 EGBERM CCCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC001138713841 1377771640 /nfs/dbraw/zinc/77/16/40/1377771640.db2.gz GVAIRGGNLCXONJ-UHFFFAOYSA-N -1 0 331.328 3.127 10 5 EGBERM O=C(NCc1cc(F)c(Cl)cc1F)c1cccc([N+](=O)[O-])c1[O-] ZINC001139846597 1377962018 /nfs/dbraw/zinc/96/20/18/1377962018.db2.gz BWRYPHUEBPTHMK-UHFFFAOYSA-N -1 0 342.685 3.162 10 5 EGBERM COc1ccc(C(C)(C)CNC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC001142531908 1378454544 /nfs/dbraw/zinc/45/45/44/1378454544.db2.gz PMQBUSXZEGHHDF-UHFFFAOYSA-N -1 0 344.367 3.017 10 5 EGBERM CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1cc(F)ccc1F ZINC001147211228 1378987632 /nfs/dbraw/zinc/98/76/32/1378987632.db2.gz PPAMFTFKFNQTCJ-CQSZACIVSA-N -1 0 336.294 3.460 10 5 EGBERM CC[C@]1(C)Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])cc2O1 ZINC001154439589 1380277256 /nfs/dbraw/zinc/27/72/56/1380277256.db2.gz CNHBUYQIIOVVKQ-QGZVFWFLSA-N -1 0 344.323 3.450 10 5 EGBERM O=C(Nc1ccc2ccc(Cl)nc2n1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001306881856 1383914542 /nfs/dbraw/zinc/91/45/42/1383914542.db2.gz RFYAIRCFGBVGGE-UHFFFAOYSA-N -1 0 344.714 3.149 10 5 EGBERM COc1ccc(C[C@H](C)N(C)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001320196388 1386555614 /nfs/dbraw/zinc/55/56/14/1386555614.db2.gz ZABHBPHXXWWOCZ-LBPRGKRZSA-N -1 0 344.367 3.012 10 5 EGBERM Cc1ccc([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])C2)cc1 ZINC000368518357 168367287 /nfs/dbraw/zinc/36/72/87/168367287.db2.gz ILIAFQRYEXOYKG-AWEZNQCLSA-N -1 0 326.352 3.239 10 5 EGBERM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cccnc2Cl)ccc1Cl ZINC000022408481 212295558 /nfs/dbraw/zinc/29/55/58/212295558.db2.gz MJOOAMUNSAEFSN-UHFFFAOYSA-N -1 0 348.167 3.097 10 5 EGBERM CC(=O)Nc1cccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000351766475 144303775 /nfs/dbraw/zinc/30/37/75/144303775.db2.gz DARFMZNFCLADKR-UHFFFAOYSA-N -1 0 349.730 3.165 10 5 EGBERM O=C(Nc1nc(CC(F)(F)F)cs1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000341296477 155233041 /nfs/dbraw/zinc/23/30/41/155233041.db2.gz BMMMREMFBUEHAW-UHFFFAOYSA-N -1 0 347.274 3.114 10 5 EGBERM CC(C)c1cnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000174011562 265017600 /nfs/dbraw/zinc/01/76/00/265017600.db2.gz MHNQERDOMGZZSM-UHFFFAOYSA-N -1 0 333.416 3.037 10 5 EGBERM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000263262587 301206778 /nfs/dbraw/zinc/20/67/78/301206778.db2.gz UYLJEXAVNGXSLT-XPKDYRNWSA-N -1 0 346.383 3.070 10 5 EGBERM Cc1ccc2c(c1)[C@@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])CCC2 ZINC000344698236 301902433 /nfs/dbraw/zinc/90/24/33/301902433.db2.gz NGDXTWJJEFCBIL-INIZCTEOSA-N -1 0 326.352 3.416 10 5 EGBERM CC(C)C1(c2ccccc2)CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000412814548 309004074 /nfs/dbraw/zinc/00/40/74/309004074.db2.gz TUIHACQWWWESJF-UHFFFAOYSA-N -1 0 340.379 3.350 10 5 EGBERM CCN(CCOc1ccccc1C)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000421961530 309348170 /nfs/dbraw/zinc/34/81/70/309348170.db2.gz FTWQKODFIWHNGU-UHFFFAOYSA-N -1 0 344.367 3.150 10 5 EGBERM Cn1nc(-c2ccsc2)cc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000427929932 309538406 /nfs/dbraw/zinc/53/84/06/309538406.db2.gz IERLITIGAIHXIT-UHFFFAOYSA-N -1 0 344.352 3.015 10 5 EGBERM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1ncc(C(F)(F)F)s1 ZINC000432707647 309666399 /nfs/dbraw/zinc/66/63/99/309666399.db2.gz YVWBMUOBXJWEAM-OWOJBTEDSA-N -1 0 345.258 3.334 10 5 EGBERM O=C(Nc1cc(-c2ccccc2F)on1)c1ccccc1[N+](=O)[O-] ZINC000448488346 310004659 /nfs/dbraw/zinc/00/46/59/310004659.db2.gz AZKPHHBFMUWYSQ-UHFFFAOYSA-N -1 0 327.271 3.063 10 5 EGBERM C[C@]1(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CCc2ccccc2C1 ZINC000483447065 310950854 /nfs/dbraw/zinc/95/08/54/310950854.db2.gz SFLOOAPAMCWOLE-SFHVURJKSA-N -1 0 326.352 3.434 10 5 EGBERM CCCN=c1[n-]nc(Sc2c3ccccc3ncc2[N+](=O)[O-])s1 ZINC000487904976 311042136 /nfs/dbraw/zinc/04/21/36/311042136.db2.gz FUVHSCSISACBHK-UHFFFAOYSA-N -1 0 347.425 3.390 10 5 EGBERM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cnc(-c2ccncc2)s1 ZINC000180777452 455243644 /nfs/dbraw/zinc/24/36/44/455243644.db2.gz XJGSRNIIIRPUCA-UHFFFAOYSA-N -1 0 342.336 3.071 10 5 EGBERM O=c1[n-][nH]c(=O)n1CCCc1cc2cccc3ccc4cccc1c4c32 ZINC000000163977 452525681 /nfs/dbraw/zinc/52/56/81/452525681.db2.gz UOZOVCJOEFHKCA-UHFFFAOYSA-N -1 0 343.386 3.395 10 5 EGBERM O=C1N[C@H](c2cc([O-])ccc2[N+](=O)[O-])Nc2sc3c(c21)CCCC3 ZINC000000565744 452624036 /nfs/dbraw/zinc/62/40/36/452624036.db2.gz VOYJRFZQHBGNHT-AWEZNQCLSA-N -1 0 345.380 3.095 10 5 EGBERM C[C@@H](CCOc1ccccc1)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183900797 455337391 /nfs/dbraw/zinc/33/73/91/455337391.db2.gz JUALUAYUTVIVIJ-LBPRGKRZSA-N -1 0 330.340 3.344 10 5 EGBERM CC1(C)CCC[C@](NC(=O)CCc2cccc([N+](=O)[O-])c2)(C(=O)[O-])C1 ZINC000600868943 460625063 /nfs/dbraw/zinc/62/50/63/460625063.db2.gz GRKWLIWRSRYZIF-GOSISDBHSA-N -1 0 348.399 3.067 10 5 EGBERM Cc1c(C(=O)N[C@]2(C(=O)[O-])CCCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000600868390 460625505 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