smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C(=O)[O-])[C@@H](NCc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 ZINC001589601831 987429394 /nfs/dbraw/zinc/42/93/94/987429394.db2.gz QTCPBFVOJZIWBD-INIZCTEOSA-N -1 3 346.358 3.676 20 5 EHBDHM CC(C)c1coc([N-]C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)n1 ZINC000602394008 1032860300 /nfs/dbraw/zinc/86/03/00/1032860300.db2.gz KIPOGZUTVIBOBS-UHFFFAOYSA-N -1 3 343.261 3.977 20 5 EHBDHM COc1ccc([C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C2CCC2)cc1 ZINC000896424918 1025436555 /nfs/dbraw/zinc/43/65/55/1025436555.db2.gz UOYNWGQOIJYQEW-OAHLLOKOSA-N -1 3 329.356 3.657 20 5 EHBDHM COc1c(C(=O)[N-]c2c(F)cc(Cl)cc2F)cccc1[N+](=O)[O-] ZINC000483996084 1031427084 /nfs/dbraw/zinc/42/70/84/1031427084.db2.gz TULUBGVFROFTRQ-UHFFFAOYSA-N -1 3 342.685 3.787 20 5 EHBDHM COc1c([O-])ccc(CNc2cccc(N(C)C(C)C)c2)c1[N+](=O)[O-] ZINC000892372638 1031863989 /nfs/dbraw/zinc/86/39/89/1031863989.db2.gz ITXHIZMINPVDAP-UHFFFAOYSA-N -1 3 345.399 3.766 20 5 EHBDHM CCOc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1[N+](=O)[O-] ZINC000179640621 1034537862 /nfs/dbraw/zinc/53/78/62/1034537862.db2.gz LSYIGOPACRCPSF-UHFFFAOYSA-N -1 3 336.731 3.605 20 5 EHBDHM O=C(Nc1cccc([O-])c1F)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000534945395 1035820849 /nfs/dbraw/zinc/82/08/49/1035820849.db2.gz QHPZWHFNQFYFTQ-UHFFFAOYSA-N -1 3 344.220 3.711 20 5 EHBDHM O=C([N-]c1nnc(CC2CCCCC2)s1)c1ccccc1[N+](=O)[O-] ZINC000103421086 1037870394 /nfs/dbraw/zinc/87/03/94/1037870394.db2.gz PYCYMMGRQMSLOL-UHFFFAOYSA-N -1 3 346.412 3.821 20 5 EHBDHM O=C([N-]c1cc(F)c(F)cc1F)c1c(Cl)cccc1[N+](=O)[O-] ZINC000110299369 1040492412 /nfs/dbraw/zinc/49/24/12/1040492412.db2.gz WCKDSYRLQOFVLE-UHFFFAOYSA-N -1 3 330.649 3.918 20 5 EHBDHM O=c1ccnc(C=Cc2ccc(-c3cccc([N+](=O)[O-])c3)s2)[n-]1 ZINC000131729858 1128723037 /nfs/dbraw/zinc/72/30/37/1128723037.db2.gz OUCUZELRGKYMJG-FNORWQNLSA-N -1 3 325.349 3.577 20 5 EHBDHM Cc1ccc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c([O-])c1 ZINC000198595846 1128925020 /nfs/dbraw/zinc/92/50/20/1128925020.db2.gz XEPIEKSMAPFKTM-UHFFFAOYSA-N -1 3 334.759 3.534 20 5 EHBDHM CCc1cc(=O)[n-]c(CSCc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000763212860 1121883993 /nfs/dbraw/zinc/88/39/93/1121883993.db2.gz ZVEZMDJRXWXLIL-UHFFFAOYSA-N -1 3 339.804 3.740 20 5 EHBDHM O=C([N-]c1ccc(F)c([N+](=O)[O-])c1)c1c(F)c(F)cc(F)c1F ZINC000175609768 1123727041 /nfs/dbraw/zinc/72/70/41/1123727041.db2.gz GZESPBXYYJJGRW-UHFFFAOYSA-N -1 3 332.184 3.543 20 5 EHBDHM O=C([N-]c1nc(-c2cccc(F)c2)cs1)c1ccc([N+](=O)[O-])o1 ZINC000070720447 1129521845 /nfs/dbraw/zinc/52/18/45/1129521845.db2.gz MTHFQTXIHUGEMN-UHFFFAOYSA-N -1 3 333.300 3.703 20 5 EHBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1OC(F)F)c1nc(Cl)cs1 ZINC000789896391 1134347010 /nfs/dbraw/zinc/34/70/10/1134347010.db2.gz ZPSSYOKYTIKYEM-UHFFFAOYSA-N -1 3 349.702 3.558 20 5 EHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc3nc(-c4ccccc4)nn3c2)c1 ZINC001199828807 1135930978 /nfs/dbraw/zinc/93/09/78/1135930978.db2.gz UESMYZZUNLGIMU-UHFFFAOYSA-N -1 3 347.334 3.754 20 5 EHBDHM COC(=O)c1cc(Cl)cc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1C ZINC001201229187 1135997430 /nfs/dbraw/zinc/99/74/30/1135997430.db2.gz GRGPYNFJUZRVSE-UHFFFAOYSA-N -1 3 336.731 3.792 20 5 EHBDHM COC(=O)c1c(F)ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1Cl ZINC001201229047 1135997457 /nfs/dbraw/zinc/99/74/57/1135997457.db2.gz AILSXOAQKXEUHK-UHFFFAOYSA-N -1 3 340.694 3.623 20 5 EHBDHM CC(C)(C)OC(=O)c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(O)c1 ZINC001201231442 1135997507 /nfs/dbraw/zinc/99/75/07/1135997507.db2.gz IEWPDQMEVWLUDG-UHFFFAOYSA-N -1 3 346.339 3.705 20 5 EHBDHM O=C([N-]c1ccc(F)nc1F)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813215744 1136303551 /nfs/dbraw/zinc/30/35/51/1136303551.db2.gz JYWAICLAKILBTC-UHFFFAOYSA-N -1 3 348.092 3.827 20 5 EHBDHM COc1ccc([N-]C(=O)c2nc(C(C)(C)C)cs2)c([N+](=O)[O-])c1 ZINC000867559056 1137381736 /nfs/dbraw/zinc/38/17/36/1137381736.db2.gz GDQYPFZRHUPZGJ-UHFFFAOYSA-N -1 3 335.385 3.610 20 5 EHBDHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(F)c([N+](=O)[O-])c2)CC)n1 ZINC000192997961 1140559329 /nfs/dbraw/zinc/55/93/29/1140559329.db2.gz IPQNSYAVDWCYLS-XYOKQWHBSA-N -1 3 331.347 3.720 20 5 EHBDHM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1C(=O)[O-] ZINC000573733725 604533972 /nfs/dbraw/zinc/53/39/72/604533972.db2.gz JVUXAXCCWBPHED-UHFFFAOYSA-N -1 3 328.368 3.704 20 5 EHBDHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccsc2Cl)cc1[N+](=O)[O-] ZINC000191799435 1019060919 /nfs/dbraw/zinc/06/09/19/1019060919.db2.gz WBPLRALUHVEASE-UHFFFAOYSA-N -1 3 346.817 3.727 20 5 EHBDHM C[C@@]1(c2ccc(F)cc2)CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000550000928 1022533606 /nfs/dbraw/zinc/53/36/06/1022533606.db2.gz YLJQNHWWQDHEAY-GOSISDBHSA-N -1 3 330.359 3.603 20 5 EHBDHM O=C(Nc1ccccc1[O-])c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000340122459 1026857231 /nfs/dbraw/zinc/85/72/31/1026857231.db2.gz BXKSXUGYYHNVMV-UHFFFAOYSA-N -1 3 326.230 3.572 20 5 EHBDHM COc1c([O-])ccc(CNc2ccc(COC(C)C)cc2)c1[N+](=O)[O-] ZINC000892277268 1026879091 /nfs/dbraw/zinc/87/90/91/1026879091.db2.gz VTLJEXHVOHPVGW-UHFFFAOYSA-N -1 3 346.383 3.846 20 5 EHBDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1c(C)onc1CC ZINC000162516334 1029738895 /nfs/dbraw/zinc/73/88/95/1029738895.db2.gz ALTSXQHECDBMKO-UHFFFAOYSA-N -1 3 335.385 3.818 20 5 EHBDHM COc1c([O-])ccc(CNc2cc(SC)ccc2C)c1[N+](=O)[O-] ZINC000892402648 1033521532 /nfs/dbraw/zinc/52/15/32/1033521532.db2.gz FCBVBHNGZBBYIR-UHFFFAOYSA-N -1 3 334.397 3.951 20 5 EHBDHM COc1cc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc(OC)c1C(C)C ZINC000596190340 1034103543 /nfs/dbraw/zinc/10/35/43/1034103543.db2.gz XLOBHRRXAALKJM-UHFFFAOYSA-N -1 3 333.344 3.580 20 5 EHBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(CC)ccc2[O-])c1 ZINC000549038823 1036165213 /nfs/dbraw/zinc/16/52/13/1036165213.db2.gz BJYVCJGTLKOSFF-UHFFFAOYSA-N -1 3 330.340 3.514 20 5 EHBDHM CCO[C@@H](C)c1ncc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)s1 ZINC000443856016 1037814328 /nfs/dbraw/zinc/81/43/28/1037814328.db2.gz FYIVGODLZFGWBE-QMMMGPOBSA-N -1 3 339.348 3.540 20 5 EHBDHM O=C([N-]c1cc(-c2ccccc2)on1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000479844940 1038799346 /nfs/dbraw/zinc/79/93/46/1038799346.db2.gz SJLCZBUJQLQBSE-UHFFFAOYSA-N -1 3 349.302 3.670 20 5 EHBDHM CCC[C@H]1CCc2nc([N-]C(=O)c3ccc([N+](=O)[O-])o3)sc2C1 ZINC000500288334 1040932073 /nfs/dbraw/zinc/93/20/73/1040932073.db2.gz HSNYAHLCPAMKFP-VIFPVBQESA-N -1 3 335.385 3.802 20 5 EHBDHM C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000765648321 1127718805 /nfs/dbraw/zinc/71/88/05/1127718805.db2.gz TWUFOHYIOITDOQ-SNVBAGLBSA-N -1 3 338.285 3.703 20 5 EHBDHM COc1cc(CNc2ccc(Cl)c(F)c2)c([N+](=O)[O-])cc1[O-] ZINC000193641797 1121516426 /nfs/dbraw/zinc/51/64/26/1121516426.db2.gz XWDDORBXRFBWKZ-UHFFFAOYSA-N -1 3 326.711 3.714 20 5 EHBDHM O=c1[n-]c(-c2cccc([N+](=O)[O-])c2)nc2ccc(Br)cc12 ZINC000077251660 1129004076 /nfs/dbraw/zinc/00/40/76/1129004076.db2.gz WANBAUZSVSSZTM-UHFFFAOYSA-N -1 3 346.140 3.673 20 5 EHBDHM Cc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1[O-] ZINC000174971391 1130393780 /nfs/dbraw/zinc/39/37/80/1130393780.db2.gz SGBGEMSKTGGAEM-UHFFFAOYSA-N -1 3 340.257 3.880 20 5 EHBDHM Nc1cc(F)cc(C(F)(F)F)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201233107 1135997991 /nfs/dbraw/zinc/99/79/91/1135997991.db2.gz XRNZBPPPFXHATF-UHFFFAOYSA-N -1 3 331.225 3.784 20 5 EHBDHM O=C([N-]c1ccc(Cl)c([N+](=O)[O-])c1)c1nc2cccnc2s1 ZINC000813394205 1136331453 /nfs/dbraw/zinc/33/14/53/1136331453.db2.gz OHWSEHINHVWWJU-UHFFFAOYSA-N -1 3 334.744 3.505 20 5 EHBDHM CN(Cc1cc([N+](=O)[O-])ccc1Cl)Cc1c(F)ccc([O-])c1F ZINC000816482459 1136722758 /nfs/dbraw/zinc/72/27/58/1136722758.db2.gz GZSOZLNIUCRITA-UHFFFAOYSA-N -1 3 342.729 3.864 20 5 EHBDHM O=[N+]([O-])c1ccc([O-])cc1CN[C@H]1CCC[C@@H]1OCc1ccccc1 ZINC000339185685 1141521873 /nfs/dbraw/zinc/52/18/73/1141521873.db2.gz QIFUBISRPRIGIQ-HKUYNNGSSA-N -1 3 342.395 3.528 20 5 EHBDHM Cc1ccc(Cl)cc1Oc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000822240061 599083706 /nfs/dbraw/zinc/08/37/06/599083706.db2.gz QOYQCVHRLOXWDO-UHFFFAOYSA-N -1 3 331.719 3.529 20 5 EHBDHM Cc1ccc(Cl)cc1Oc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000822240061 599083709 /nfs/dbraw/zinc/08/37/09/599083709.db2.gz QOYQCVHRLOXWDO-UHFFFAOYSA-N -1 3 331.719 3.529 20 5 EHBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CCCN2C(=O)[O-])C1 ZINC000825638938 604039571 /nfs/dbraw/zinc/03/95/71/604039571.db2.gz PLJJHKACEAYZPQ-FMKPAKJESA-N -1 3 347.415 3.510 20 5 EHBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000820455671 606644616 /nfs/dbraw/zinc/64/46/16/606644616.db2.gz LBVGACCKYGLYMA-VIFPVBQESA-N -1 3 344.762 3.601 20 5 EHBDHM Cc1c(CN[C@H](CCC(=O)[O-])c2ccccc2)cccc1[N+](=O)[O-] ZINC000871878008 979980312 /nfs/dbraw/zinc/98/03/12/979980312.db2.gz BDNSBBLRMMWXFP-MRXNPFEDSA-N -1 3 328.368 3.599 20 5 EHBDHM O=C(Nc1cc(Cl)ccc1[O-])c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000521843375 1025714604 /nfs/dbraw/zinc/71/46/04/1025714604.db2.gz KTIUEYWECXIVIQ-UHFFFAOYSA-N -1 3 332.699 3.952 20 5 EHBDHM O=[N+]([O-])c1cccnc1Sc1nnc([N-]c2ccccc2F)s1 ZINC000022799089 1030532622 /nfs/dbraw/zinc/53/26/22/1030532622.db2.gz LEDLIYOFNPMLOU-UHFFFAOYSA-N -1 3 349.372 3.875 20 5 EHBDHM Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c([O-])c1 ZINC000175059769 1039151637 /nfs/dbraw/zinc/15/16/37/1039151637.db2.gz NGPFHFBVLWJXGQ-UHFFFAOYSA-N -1 3 340.257 3.880 20 5 EHBDHM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1ccc(Cl)cc1F ZINC000124946401 1041770356 /nfs/dbraw/zinc/77/03/56/1041770356.db2.gz FPWWZOMTXHDYDE-UHFFFAOYSA-N -1 3 330.649 3.918 20 5 EHBDHM COc1ccc(COC(=O)c2cc(Cl)c(Cl)[n-]2)cc1[N+](=O)[O-] ZINC000919045656 1122966607 /nfs/dbraw/zinc/96/66/07/1122966607.db2.gz BCCUKQDFHIQVTH-UHFFFAOYSA-N -1 3 345.138 3.595 20 5 EHBDHM COc1ccc([N-]C(=O)c2coc(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000078038828 1129094310 /nfs/dbraw/zinc/09/43/10/1129094310.db2.gz XZFWKTOGRXFRCA-UHFFFAOYSA-N -1 3 339.307 3.511 20 5 EHBDHM O=C([N-]c1cc(F)c(F)cc1F)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000078506681 1129153193 /nfs/dbraw/zinc/15/31/93/1129153193.db2.gz LYVIXWLWPRRJME-UHFFFAOYSA-N -1 3 330.649 3.918 20 5 EHBDHM Cc1c([N-]c2ncc([N+](=O)[O-])cc2F)cnn1-c1cccc(C)c1 ZINC001186793137 1134259062 /nfs/dbraw/zinc/25/90/62/1134259062.db2.gz YHKIKZNZFAGOIQ-UHFFFAOYSA-N -1 3 327.319 3.675 20 5 EHBDHM CC(C)(C)c1ccc([N-]C(=O)c2ccc([N+](=O)[O-])o2)cc1[N+](=O)[O-] ZINC000791233571 1134519435 /nfs/dbraw/zinc/51/94/35/1134519435.db2.gz BWPLVTWAOPRDJI-UHFFFAOYSA-N -1 3 333.300 3.646 20 5 EHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc3nnc(-c4ccccc4)n3c2)c1 ZINC001199819289 1135928731 /nfs/dbraw/zinc/92/87/31/1135928731.db2.gz OFTPRZZMSUGTNG-UHFFFAOYSA-N -1 3 347.334 3.754 20 5 EHBDHM Cc1cccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1N1CCCCC1=O ZINC001201229204 1135997327 /nfs/dbraw/zinc/99/73/27/1135997327.db2.gz HMFHOYGBBHZDHI-UHFFFAOYSA-N -1 3 341.367 3.869 20 5 EHBDHM CCOC(=O)c1cc2cc(Nc3cc([O-])cc([N+](=O)[O-])c3)ccc2o1 ZINC001201221863 1135999856 /nfs/dbraw/zinc/99/98/56/1135999856.db2.gz JBQDHLKDIQPHPE-UHFFFAOYSA-N -1 3 342.307 3.967 20 5 EHBDHM CC1(C)CC(=O)Nc2cc(Nc3cc([O-])cc([N+](=O)[O-])c3)ccc21 ZINC001201224448 1136000256 /nfs/dbraw/zinc/00/02/56/1136000256.db2.gz NWHCYYHQUUVBEE-UHFFFAOYSA-N -1 3 327.340 3.664 20 5 EHBDHM CC(C)Cc1nsc([N-]C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000857316602 1136862887 /nfs/dbraw/zinc/86/28/87/1136862887.db2.gz DKBBLUXAGDIFRS-UHFFFAOYSA-N -1 3 340.792 3.551 20 5 EHBDHM C[C@H](N[C@H](CCC(=O)[O-])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000827718453 600864349 /nfs/dbraw/zinc/86/43/49/600864349.db2.gz SHTBDJWJSJMMLU-SUMWQHHRSA-N -1 3 328.368 3.852 20 5 EHBDHM CCc1cccc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1[O-] ZINC000092764752 1032842979 /nfs/dbraw/zinc/84/29/79/1032842979.db2.gz MSJBATVYXYEPER-UHFFFAOYSA-N -1 3 340.379 3.668 20 5 EHBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc([C@H](C)CC)no1 ZINC000341634846 1022705222 /nfs/dbraw/zinc/70/52/22/1022705222.db2.gz IZJMSYOAFWVQOD-SNVBAGLBSA-N -1 3 333.344 3.747 20 5 EHBDHM O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1[O-] ZINC000120961261 1024836401 /nfs/dbraw/zinc/83/64/01/1024836401.db2.gz RMYHEUQTQIXPLS-UHFFFAOYSA-N -1 3 338.772 3.685 20 5 EHBDHM COc1cc(-c2nc3cc(Cl)ccc3n2C)c([N+](=O)[O-])cc1[O-] ZINC000436657047 1025986141 /nfs/dbraw/zinc/98/61/41/1025986141.db2.gz ORQNYRPSVNEAJJ-UHFFFAOYSA-N -1 3 333.731 3.516 20 5 EHBDHM Cc1ccccc1-c1csc([N-]C(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC000075608978 1029398013 /nfs/dbraw/zinc/39/80/13/1029398013.db2.gz CVCYGOFKOFJFKX-UHFFFAOYSA-N -1 3 329.337 3.872 20 5 EHBDHM Cc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1Cl ZINC000524793350 1029515240 /nfs/dbraw/zinc/51/52/40/1029515240.db2.gz ZRJRVWXYOMRABN-UHFFFAOYSA-N -1 3 340.788 3.666 20 5 EHBDHM CC(C)CCOc1ccccc1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596104917 1034064342 /nfs/dbraw/zinc/06/43/42/1034064342.db2.gz FJRBDSBLDQPLLX-UHFFFAOYSA-N -1 3 331.372 3.732 20 5 EHBDHM CC1(c2cccc(Cl)c2)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596219316 1034124407 /nfs/dbraw/zinc/12/44/07/1034124407.db2.gz PQNUTSXNXIPVMW-UHFFFAOYSA-N -1 3 347.802 3.907 20 5 EHBDHM O=c1[n-]ccc(N2CCC(c3cccc(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000596217945 1034125014 /nfs/dbraw/zinc/12/50/14/1034125014.db2.gz QIHTZSFCPJQWSW-UHFFFAOYSA-N -1 3 333.775 3.733 20 5 EHBDHM O=[N+]([O-])c1cc(Cl)ccc1CCNCc1c(F)ccc([O-])c1F ZINC000512218916 1044204176 /nfs/dbraw/zinc/20/41/76/1044204176.db2.gz MUTGDEPOUZZSMV-UHFFFAOYSA-N -1 3 342.729 3.564 20 5 EHBDHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(C)c([N+](=O)[O-])c2)CC)n1 ZINC000193618716 1121492342 /nfs/dbraw/zinc/49/23/42/1121492342.db2.gz RHOWFQGTRNYPNF-NTEUORMPSA-N -1 3 327.384 3.890 20 5 EHBDHM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cccc(Cl)c1F ZINC000153863642 1122066080 /nfs/dbraw/zinc/06/60/80/1122066080.db2.gz KGDDPUHQXWCQMD-UHFFFAOYSA-N -1 3 330.649 3.918 20 5 EHBDHM CC(C)c1cccc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000301994194 1129507689 /nfs/dbraw/zinc/50/76/89/1129507689.db2.gz OQBPJNKQWISOBA-UHFFFAOYSA-N -1 3 340.426 3.927 20 5 EHBDHM O=[N+]([O-])c1ccc(F)c(Nc2cccc([O-])c2Br)c1 ZINC001175737457 1132748915 /nfs/dbraw/zinc/74/89/15/1132748915.db2.gz USBLUXRXJFNOFA-UHFFFAOYSA-N -1 3 327.109 3.946 20 5 EHBDHM COc1ccc(Nc2ccc(Br)cc2[O-])cc1[N+](=O)[O-] ZINC001176362885 1132921523 /nfs/dbraw/zinc/92/15/23/1132921523.db2.gz IXCFWHQRWVYQQE-UHFFFAOYSA-N -1 3 339.145 3.815 20 5 EHBDHM COc1cccc(-c2cc(Nc3cc([O-])cc([N+](=O)[O-])c3)on2)c1 ZINC001199802226 1135930636 /nfs/dbraw/zinc/93/06/36/1135930636.db2.gz MJDYOBVEKVLZFM-UHFFFAOYSA-N -1 3 327.296 3.708 20 5 EHBDHM COc1ccc(-n2cccc2)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201221372 1135999798 /nfs/dbraw/zinc/99/97/98/1135999798.db2.gz ARHNHZGAXMDQJD-UHFFFAOYSA-N -1 3 325.324 3.843 20 5 EHBDHM O=C(Nc1cc(Cl)ccc1[O-])c1cccc([N+](=O)[O-])c1Cl ZINC000816896966 1136762398 /nfs/dbraw/zinc/76/23/98/1136762398.db2.gz WFBCQHCZBYBYIA-UHFFFAOYSA-N -1 3 327.123 3.860 20 5 EHBDHM CC[C@@H](Cc1cn(C)c2ccccc12)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000866050253 1137326480 /nfs/dbraw/zinc/32/64/80/1137326480.db2.gz SZQDNZBNLRWKSS-ZDUSSCGKSA-N -1 3 340.383 3.620 20 5 EHBDHM Cc1nc(Cl)sc1C(=O)[N-]c1c(C)c([N+](=O)[O-])ccc1F ZINC000800147152 1137899491 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/nfs/dbraw/zinc/06/80/47/1034068047.db2.gz WGJDMRQVYVNROS-UHFFFAOYSA-N -1 3 338.367 3.561 20 5 EHBDHM CC(C)C[C@@H](C)Oc1cc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])ccn1 ZINC000596118865 1034084739 /nfs/dbraw/zinc/08/47/39/1034084739.db2.gz GWENAXSLKHSWNY-GFCCVEGCSA-N -1 3 346.387 3.516 20 5 EHBDHM CC(C)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1cccc(Cl)c1F ZINC000596197859 1034107373 /nfs/dbraw/zinc/10/73/73/1034107373.db2.gz YCKKMEDDODWZBB-UHFFFAOYSA-N -1 3 339.754 3.878 20 5 EHBDHM O=c1[n-]ccc(N[C@@H]2CCCc3sc(Cl)cc32)c1[N+](=O)[O-] ZINC000596241111 1034134149 /nfs/dbraw/zinc/13/41/49/1034134149.db2.gz MFIRTLSQACYPGF-MRVPVSSYSA-N -1 3 325.777 3.900 20 5 EHBDHM CCCCc1nnc([N-]C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000006235423 1043100374 /nfs/dbraw/zinc/10/03/74/1043100374.db2.gz VRXVZFHQKBFOPA-UHFFFAOYSA-N -1 3 340.792 3.695 20 5 EHBDHM O=c1ccnc(C=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)[n-]1 ZINC000764436880 1127493941 /nfs/dbraw/zinc/49/39/41/1127493941.db2.gz WMGWEEDCXMKZRK-VURMDHGXSA-N -1 3 325.349 3.989 20 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1134450880 /nfs/dbraw/zinc/45/08/80/1134450880.db2.gz CKBHKCHMKVPWQR-UHFFFAOYSA-N -1 3 333.102 3.726 20 5 EHBDHM Nc1cc(F)c(C(F)(F)F)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201222435 1135999978 /nfs/dbraw/zinc/99/99/78/1135999978.db2.gz LDFJYDREXJDKDO-UHFFFAOYSA-N -1 3 331.225 3.784 20 5 EHBDHM CC1CCN(c2ccc(Nc3cc[n-]c(=O)c3[N+](=O)[O-])cc2)CC1 ZINC000853094029 1136508513 /nfs/dbraw/zinc/50/85/13/1136508513.db2.gz OLOUEIGLQQQVFP-UHFFFAOYSA-N -1 3 328.372 3.675 20 5 EHBDHM O=c1[n-]ccc(N2CCC(CCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000853118417 1136511455 /nfs/dbraw/zinc/51/14/55/1136511455.db2.gz LSKMWDMUUVVMSP-UHFFFAOYSA-N -1 3 327.384 3.545 20 5 EHBDHM Cc1ccc(C(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)c([O-])c1 ZINC000857665921 1136897856 /nfs/dbraw/zinc/89/78/56/1136897856.db2.gz QHIUKPCVOURXOY-UHFFFAOYSA-N -1 3 326.352 3.592 20 5 EHBDHM Cc1ccc([N+](=O)[O-])c(C)c1CNCc1ccc(C(=O)[O-])c(C)c1 ZINC000871874893 1137561723 /nfs/dbraw/zinc/56/17/23/1137561723.db2.gz ZGNHKKJFVYTBDF-UHFFFAOYSA-N -1 3 328.368 3.508 20 5 EHBDHM Cc1nc(CC(C)C)oc1C(=O)[N-]c1c(C)c([N+](=O)[O-])ccc1F ZINC000800148095 1137899585 /nfs/dbraw/zinc/89/95/85/1137899585.db2.gz HXNMBNPPHWMRMA-UHFFFAOYSA-N -1 3 335.335 3.790 20 5 EHBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000186305630 1140197619 /nfs/dbraw/zinc/19/76/19/1140197619.db2.gz IZQBCXLHAOMAGC-NSHDSACASA-N -1 3 326.352 3.763 20 5 EHBDHM Cc1cccc([C@H](C)Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1C ZINC000737390835 599066272 /nfs/dbraw/zinc/06/62/72/599066272.db2.gz WICKOAUQOBNNNJ-LBPRGKRZSA-N -1 3 338.371 3.565 20 5 EHBDHM Cc1cccc([C@H](C)Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1C ZINC000737390835 599066275 /nfs/dbraw/zinc/06/62/75/599066275.db2.gz WICKOAUQOBNNNJ-LBPRGKRZSA-N -1 3 338.371 3.565 20 5 EHBDHM C[C@H](Sc1ccccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000736189751 599111001 /nfs/dbraw/zinc/11/10/01/599111001.db2.gz BUZCOFBHWNAHDF-JTQLQIEISA-N -1 3 327.369 3.628 20 5 EHBDHM C[C@H](Sc1ccccc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000736189751 599111003 /nfs/dbraw/zinc/11/10/03/599111003.db2.gz BUZCOFBHWNAHDF-JTQLQIEISA-N -1 3 327.369 3.628 20 5 EHBDHM C[C@@H](N[C@H](C(=O)[O-])c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000736662337 600424995 /nfs/dbraw/zinc/42/49/95/600424995.db2.gz OOYHDXCJXYIKFI-BMIGLBTASA-N -1 3 334.759 3.725 20 5 EHBDHM O=C([O-])c1ccccc1C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000364839968 951139651 /nfs/dbraw/zinc/13/96/51/951139651.db2.gz OPDCHLYERKSOCU-UHFFFAOYSA-N -1 3 340.379 3.673 20 5 EHBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN(CCc2ccccc2)C2CC2)c1 ZINC000903943388 981067547 /nfs/dbraw/zinc/06/75/47/981067547.db2.gz JHMLSWZZSMPYIO-UHFFFAOYSA-N -1 3 340.379 3.500 20 5 EHBDHM C[C@@H](SCc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1[N+](=O)[O-] ZINC000419594617 1020728274 /nfs/dbraw/zinc/72/82/74/1020728274.db2.gz ZSWNLOOESQDMSA-SNVBAGLBSA-N -1 3 331.397 3.962 20 5 EHBDHM COc1cc(CNc2ccc(F)c(C3CC3)c2)c([N+](=O)[O-])cc1[O-] ZINC000341549612 1022275531 /nfs/dbraw/zinc/27/55/31/1022275531.db2.gz BZHJTEGBFMWBET-UHFFFAOYSA-N -1 3 332.331 3.938 20 5 EHBDHM COc1cc(CNc2nccc3sccc32)c([N+](=O)[O-])cc1[O-] ZINC000185743713 1025733686 /nfs/dbraw/zinc/73/36/86/1025733686.db2.gz ISBLXDAHJKBGDR-UHFFFAOYSA-N -1 3 331.353 3.531 20 5 EHBDHM Cn1c(-c2nc(-c3ccc([O-])c4ccccc34)no2)ccc1[N+](=O)[O-] ZINC000436613359 1025947007 /nfs/dbraw/zinc/94/70/07/1025947007.db2.gz QDZWUGVFXRJTPT-UHFFFAOYSA-N -1 3 336.307 3.509 20 5 EHBDHM Cc1cc2nc([N-]C(=O)c3c(F)cccc3[N+](=O)[O-])oc2c(C)c1 ZINC001126638160 1030751114 /nfs/dbraw/zinc/75/11/14/1030751114.db2.gz TTXGZNNVFIMGAI-UHFFFAOYSA-N -1 3 329.287 3.744 20 5 EHBDHM O=C([N-]c1cc(F)cc(F)c1F)c1ccc([N+](=O)[O-])cc1Cl ZINC000315417179 1031364650 /nfs/dbraw/zinc/36/46/50/1031364650.db2.gz NPSLNNCADITTFB-UHFFFAOYSA-N -1 3 330.649 3.918 20 5 EHBDHM Cc1ccc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)cc1[N+](=O)[O-] ZINC000477413066 1031545389 /nfs/dbraw/zinc/54/53/89/1031545389.db2.gz BPMVKBBGDHYTLB-ATVHPVEESA-N -1 3 347.374 3.770 20 5 EHBDHM O=c1[n-]ccc(Nc2ccc3c(c2)OC2(CCCCC2)O3)c1[N+](=O)[O-] ZINC000596062966 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O=c1[n-]ccc(N2CCc3ccc(Cl)c(Cl)c3C2)c1[N+](=O)[O-] ZINC001186963490 1134278456 /nfs/dbraw/zinc/27/84/56/1134278456.db2.gz AYMYLDMPTOXCRN-UHFFFAOYSA-N -1 3 340.166 3.565 20 5 EHBDHM Cc1nc([N-]C(=O)c2ccc([N+](=O)[O-])o2)sc1-c1ccccc1 ZINC000105990540 1136267638 /nfs/dbraw/zinc/26/76/38/1136267638.db2.gz GANKNTOCIJFMBD-UHFFFAOYSA-N -1 3 329.337 3.872 20 5 EHBDHM Cc1cc(Cl)c(C(=O)[N-]c2nc(C(C)C)ns2)cc1[N+](=O)[O-] ZINC000874693759 1137621384 /nfs/dbraw/zinc/62/13/84/1137621384.db2.gz QEKIDXDDBLIIAK-UHFFFAOYSA-N -1 3 340.792 3.784 20 5 EHBDHM O=c1[n-]cc(-c2nc(-c3ccc4sccc4c3)no2)cc1[N+](=O)[O-] ZINC001212844516 1138770065 /nfs/dbraw/zinc/77/00/65/1138770065.db2.gz YCCUWXAVXPCKEK-UHFFFAOYSA-N -1 3 340.320 3.627 20 5 EHBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1cnc(CC2CC2)s1 ZINC000890428607 1139360420 /nfs/dbraw/zinc/36/04/20/1139360420.db2.gz HAQIMHQSKAFDQQ-UHFFFAOYSA-N -1 3 335.360 3.704 20 5 EHBDHM O=[N+]([O-])c1cc(Cl)ccc1CSc1ccccc1-c1nnn[n-]1 ZINC000823635513 599346613 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ZINC001199802769 1135930961 /nfs/dbraw/zinc/93/09/61/1135930961.db2.gz YENMQUMXSRGTJJ-UHFFFAOYSA-N -1 3 344.552 3.855 20 5 EHBDHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1ccccc1)c1ccccc1 ZINC001136346412 1136995583 /nfs/dbraw/zinc/99/55/83/1136995583.db2.gz JUPHBEUZCBGOQR-UHFFFAOYSA-N -1 3 349.346 3.542 20 5 EHBDHM CC(C)Oc1cc(Cl)ccc1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000882792901 1137834403 /nfs/dbraw/zinc/83/44/03/1137834403.db2.gz JCQKBOLNQFBDHQ-UHFFFAOYSA-N -1 3 337.763 3.748 20 5 EHBDHM Cc1cc(F)cc(C(=O)[N-]c2cc(F)c(F)cc2F)c1[N+](=O)[O-] ZINC000130962004 1137844446 /nfs/dbraw/zinc/84/44/46/1137844446.db2.gz MXWBYOHVFUCAKK-UHFFFAOYSA-N -1 3 328.221 3.712 20 5 EHBDHM CCc1onc(C)c1[N-]C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000089392276 1138197323 /nfs/dbraw/zinc/19/73/23/1138197323.db2.gz LXJLPYXXNFUNDR-UHFFFAOYSA-N -1 3 343.261 3.725 20 5 EHBDHM CC(C)Oc1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000053819960 201129276 /nfs/dbraw/zinc/12/92/76/201129276.db2.gz GEGPCDITOHJPPB-UHFFFAOYSA-N -1 3 340.339 3.511 20 5 EHBDHM O=C(Nc1cccc2c1CCCC2)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000071885527 203136401 /nfs/dbraw/zinc/13/64/01/203136401.db2.gz CICGVOOGISNXFH-UHFFFAOYSA-N -1 3 336.351 3.602 20 5 EHBDHM C[C@@H](NCc1ccc([C@H](C)NC(=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000825503889 604304236 /nfs/dbraw/zinc/30/42/36/604304236.db2.gz ZBQUOIFSRMLEQE-OLZOCXBDSA-N -1 3 343.383 3.774 20 5 EHBDHM O=[N+]([O-])c1ccc(CSc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000823639489 606629564 /nfs/dbraw/zinc/62/95/64/606629564.db2.gz BCLFEVPHUPFHDX-UHFFFAOYSA-N -1 3 347.787 3.721 20 5 EHBDHM O=[N+]([O-])c1ccc(CSc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000823639489 606629565 /nfs/dbraw/zinc/62/95/65/606629565.db2.gz BCLFEVPHUPFHDX-UHFFFAOYSA-N -1 3 347.787 3.721 20 5 EHBDHM Cc1ccc([N+](=O)[O-])c(Oc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000822270928 606790066 /nfs/dbraw/zinc/79/00/66/606790066.db2.gz DLDVQLZGSHQGRA-UHFFFAOYSA-N -1 3 331.719 3.529 20 5 EHBDHM Cc1ccc([N+](=O)[O-])c(Oc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000822270928 606790068 /nfs/dbraw/zinc/79/00/68/606790068.db2.gz DLDVQLZGSHQGRA-UHFFFAOYSA-N -1 3 331.719 3.529 20 5 EHBDHM O=[N+]([O-])c1cc(CSc2ccc(-c3nnn[n-]3)cc2)ccc1Cl ZINC000823635330 607163777 /nfs/dbraw/zinc/16/37/77/607163777.db2.gz VWBUHLPIBQVDPY-UHFFFAOYSA-N -1 3 347.787 3.721 20 5 EHBDHM O=[N+]([O-])c1cc(CSc2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC000823635330 607163778 /nfs/dbraw/zinc/16/37/78/607163778.db2.gz VWBUHLPIBQVDPY-UHFFFAOYSA-N -1 3 347.787 3.721 20 5 EHBDHM Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000905012581 956958397 /nfs/dbraw/zinc/95/83/97/956958397.db2.gz LCCIBHWXXSKSMY-DOTOQJQBSA-N -1 3 340.379 3.614 20 5 EHBDHM COc1cc(C(=O)Nc2ccc(Cl)cc2[O-])cc([N+](=O)[O-])c1C ZINC000189797433 1016729545 /nfs/dbraw/zinc/72/95/45/1016729545.db2.gz PYHJXEGEDXSQQT-UHFFFAOYSA-N -1 3 336.731 3.523 20 5 EHBDHM CCc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)c([O-])c1 ZINC000436869148 1021309761 /nfs/dbraw/zinc/30/97/61/1021309761.db2.gz JFSCPZDJAGPAJR-UHFFFAOYSA-N -1 3 339.351 3.812 20 5 EHBDHM CC(C)c1ccc(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC000436672796 1026015081 /nfs/dbraw/zinc/01/50/81/1026015081.db2.gz CPUCPFHFFHPQEY-UHFFFAOYSA-N -1 3 342.395 3.739 20 5 EHBDHM COc1c([O-])ccc(CNc2ccccc2OC(C)C)c1[N+](=O)[O-] ZINC000892280135 1026953799 /nfs/dbraw/zinc/95/37/99/1026953799.db2.gz KMNCVGRSOJSGQI-UHFFFAOYSA-N -1 3 332.356 3.708 20 5 EHBDHM C[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000526868275 1030472837 /nfs/dbraw/zinc/47/28/37/1030472837.db2.gz ZGVKMADLFJCSHW-GFCCVEGCSA-N -1 3 336.347 3.945 20 5 EHBDHM Cc1cc(Cl)ccc1OCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596086694 1034075693 /nfs/dbraw/zinc/07/56/93/1034075693.db2.gz BOQLNZYFRKPRHA-UHFFFAOYSA-N -1 3 337.763 3.538 20 5 EHBDHM CC[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000596147166 1034091870 /nfs/dbraw/zinc/09/18/70/1034091870.db2.gz NEDGVLYUDBYDTC-UKRRQHHQSA-N -1 3 327.384 3.716 20 5 EHBDHM CCCCN1CCc2ccc(Nc3cc[n-]c(=O)c3[N+](=O)[O-])cc21 ZINC000596159683 1034111108 /nfs/dbraw/zinc/11/11/08/1034111108.db2.gz GZIUHABXLDOJOK-UHFFFAOYSA-N -1 3 328.372 3.602 20 5 EHBDHM Cc1cc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)c(F)cc1F ZINC000177576633 1035239501 /nfs/dbraw/zinc/23/95/01/1035239501.db2.gz NCAVWLOOSIJFGT-UHFFFAOYSA-N -1 3 328.221 3.712 20 5 EHBDHM CC[C@H](CC(F)(F)F)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000760717939 1036215172 /nfs/dbraw/zinc/21/51/72/1036215172.db2.gz JFVODERIXWWIMP-SECBINFHSA-N -1 3 340.248 3.534 20 5 EHBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1cc(F)c(Cl)cc1F ZINC000488672492 1039330580 /nfs/dbraw/zinc/33/05/80/1039330580.db2.gz WXMINHVPGKIBDT-UHFFFAOYSA-N -1 3 330.649 3.918 20 5 EHBDHM O=C(CCCc1ccc([O-])c(F)c1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000473347297 1039791261 /nfs/dbraw/zinc/79/12/61/1039791261.db2.gz GKXQJYSOGJPTCP-UHFFFAOYSA-N -1 3 336.294 3.540 20 5 EHBDHM O=c1ccnc(C=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)[n-]1 ZINC000131744311 1128784314 /nfs/dbraw/zinc/78/43/14/1128784314.db2.gz WMGWEEDCXMKZRK-SOFGYWHQSA-N -1 3 325.349 3.577 20 5 EHBDHM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1cc(-c2ccccc2)on1 ZINC000173068277 1130176455 /nfs/dbraw/zinc/17/64/55/1130176455.db2.gz PYTUEHOBGPWURP-UHFFFAOYSA-N -1 3 339.307 3.511 20 5 EHBDHM CCc1ccc(N(CC(C)C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000794134066 1135022145 /nfs/dbraw/zinc/02/21/45/1135022145.db2.gz LEMJFHHLFNHALZ-UHFFFAOYSA-N -1 3 343.383 3.561 20 5 EHBDHM COc1ccccc1-n1nc(C)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199818551 1135928760 /nfs/dbraw/zinc/92/87/60/1135928760.db2.gz DHGWPXWRSMYUKE-UHFFFAOYSA-N -1 3 340.339 3.547 20 5 EHBDHM Nc1cc(Br)cc(F)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201221605 1135999611 /nfs/dbraw/zinc/99/96/11/1135999611.db2.gz BOMDOTDXQVRKNP-UHFFFAOYSA-N -1 3 342.124 3.528 20 5 EHBDHM CC(C)c1scnc1C(=O)[N-]c1cc([N+](=O)[O-])c(F)cc1F ZINC000812855357 1136254776 /nfs/dbraw/zinc/25/47/76/1136254776.db2.gz JSQDCYOCUZLZOA-UHFFFAOYSA-N -1 3 327.312 3.705 20 5 EHBDHM Cc1cc(C)cc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000737251205 598426041 /nfs/dbraw/zinc/42/60/41/598426041.db2.gz CHMDBRBYUXLANO-GFCCVEGCSA-N -1 3 338.371 3.565 20 5 EHBDHM Cc1cc(C)cc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000737251205 598426043 /nfs/dbraw/zinc/42/60/43/598426043.db2.gz CHMDBRBYUXLANO-GFCCVEGCSA-N -1 3 338.371 3.565 20 5 EHBDHM Cc1ccc([C@H](C)N[C@H](C(=O)[O-])c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000832921524 601370527 /nfs/dbraw/zinc/37/05/27/601370527.db2.gz RSEDJWDACSUFCO-ZBEGNZNMSA-N -1 3 332.331 3.519 20 5 EHBDHM CC(C)c1ccc(CN2CCC(CCC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000596651594 604641508 /nfs/dbraw/zinc/64/15/08/604641508.db2.gz DTZOBVVZYABMDN-UHFFFAOYSA-N -1 3 334.416 3.795 20 5 EHBDHM O=[N+]([O-])c1ccc(OCc2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000823644114 606797053 /nfs/dbraw/zinc/79/70/53/606797053.db2.gz FUWVEIIFFGUKLS-UHFFFAOYSA-N -1 3 347.334 3.507 20 5 EHBDHM O=[N+]([O-])c1ccc(OCc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000823644114 606797054 /nfs/dbraw/zinc/79/70/54/606797054.db2.gz FUWVEIIFFGUKLS-UHFFFAOYSA-N -1 3 347.334 3.507 20 5 EHBDHM O=C([O-])[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)c2ccccc21 ZINC001594903179 954651982 /nfs/dbraw/zinc/65/19/82/954651982.db2.gz SOSAVWYQSFORFM-HIFRSBDPSA-N -1 3 346.770 3.651 20 5 EHBDHM CC(C)c1ccc(CNCc2ccccc2CC(=O)[O-])cc1[N+](=O)[O-] ZINC000426715193 974045263 /nfs/dbraw/zinc/04/52/63/974045263.db2.gz QBMWYKDOERYUND-UHFFFAOYSA-N -1 3 342.395 3.635 20 5 EHBDHM CC(C)(C)c1ccc([O-])c(NC(=O)c2cc(F)ccc2[N+](=O)[O-])c1 ZINC000121262693 1022884981 /nfs/dbraw/zinc/88/49/81/1022884981.db2.gz RTEWMCXGLJJGSR-UHFFFAOYSA-N -1 3 332.331 3.989 20 5 EHBDHM Cc1ccc(CCC2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)cc1 ZINC000596066481 1034068408 /nfs/dbraw/zinc/06/84/08/1034068408.db2.gz RGFNTQGOXOISAE-UHFFFAOYSA-N -1 3 341.411 3.853 20 5 EHBDHM CN(CCOc1ccccc1C(C)(C)C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596218912 1034124630 /nfs/dbraw/zinc/12/46/30/1034124630.db2.gz JNDNQSLJJNNPFB-UHFFFAOYSA-N -1 3 345.399 3.508 20 5 EHBDHM C[C@H](CC1CCCC1)C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000512503795 1039539377 /nfs/dbraw/zinc/53/93/77/1039539377.db2.gz LYKYENTYZKCPFZ-GFCCVEGCSA-N -1 3 342.399 3.562 20 5 EHBDHM O=[N+]([O-])c1cc(F)ccc1NCc1ccc([O-])c(Br)c1 ZINC000062702412 1044041616 /nfs/dbraw/zinc/04/16/16/1044041616.db2.gz WQLQDSANDHDYSG-UHFFFAOYSA-N -1 3 341.136 3.814 20 5 EHBDHM O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1cc(-c2ccco2)[n-]n1 ZINC000734974968 1131301434 /nfs/dbraw/zinc/30/14/34/1131301434.db2.gz HXPITEWKHFUXHW-UHFFFAOYSA-N -1 3 347.714 3.588 20 5 EHBDHM O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1cc(-c2ccco2)n[n-]1 ZINC000734974968 1131301441 /nfs/dbraw/zinc/30/14/41/1131301441.db2.gz HXPITEWKHFUXHW-UHFFFAOYSA-N -1 3 347.714 3.588 20 5 EHBDHM CC(C)c1cc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)on1 ZINC000070777662 1125381735 /nfs/dbraw/zinc/38/17/35/1125381735.db2.gz FBRNTQFWZGSVCQ-UHFFFAOYSA-N -1 3 341.270 3.560 20 5 EHBDHM COc1c([O-])ccc(CN2CCCc3ccc(C)cc32)c1[N+](=O)[O-] ZINC001180751157 1133410137 /nfs/dbraw/zinc/41/01/37/1133410137.db2.gz IQOCITOMQKDXCB-UHFFFAOYSA-N -1 3 328.368 3.570 20 5 EHBDHM O=c1[n-]ccc(N2CCC(=Cc3ccccc3F)CC2)c1[N+](=O)[O-] ZINC001185775453 1134131812 /nfs/dbraw/zinc/13/18/12/1134131812.db2.gz OKMXEQQAWAWLCH-UHFFFAOYSA-N -1 3 329.331 3.518 20 5 EHBDHM CC(C)(C)OC(=O)Nc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cn1 ZINC001199819491 1135928470 /nfs/dbraw/zinc/92/84/70/1135928470.db2.gz UEWHKVPVRKNHMQ-UHFFFAOYSA-N -1 3 346.343 3.786 20 5 EHBDHM COC(=O)c1cc(Cl)c(F)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201229210 1135997141 /nfs/dbraw/zinc/99/71/41/1135997141.db2.gz HQPSHNQPSFQQPE-UHFFFAOYSA-N -1 3 340.694 3.623 20 5 EHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(OC(F)(F)F)ccc2O)c1 ZINC001201229761 1135997238 /nfs/dbraw/zinc/99/72/38/1135997238.db2.gz RIDMPXAWHRNGHT-UHFFFAOYSA-N -1 3 330.218 3.648 20 5 EHBDHM Cc1cc(Cl)c(C(=O)[N-]c2nnc(C3CC3)s2)cc1[N+](=O)[O-] ZINC000824126566 1137125241 /nfs/dbraw/zinc/12/52/41/1137125241.db2.gz ZITJBVWSKCBYAC-UHFFFAOYSA-N -1 3 338.776 3.538 20 5 EHBDHM CC(C)c1cc([C@H]2CCCN(Cc3cc([O-])ccc3[N+](=O)[O-])C2)n[nH]1 ZINC000877783750 1137689544 /nfs/dbraw/zinc/68/95/44/1137689544.db2.gz FIGXBCWWBLEHQR-ZDUSSCGKSA-N -1 3 344.415 3.527 20 5 EHBDHM CC(C)c1cc([C@H]2CCCN(Cc3cc([O-])ccc3[N+](=O)[O-])C2)[nH]n1 ZINC000877783750 1137689545 /nfs/dbraw/zinc/68/95/45/1137689545.db2.gz FIGXBCWWBLEHQR-ZDUSSCGKSA-N -1 3 344.415 3.527 20 5 EHBDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736190650 599328481 /nfs/dbraw/zinc/32/84/81/599328481.db2.gz GIBMQVKHLJMYAM-SNVBAGLBSA-N -1 3 327.369 3.628 20 5 EHBDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736190650 599328483 /nfs/dbraw/zinc/32/84/83/599328483.db2.gz GIBMQVKHLJMYAM-SNVBAGLBSA-N -1 3 327.369 3.628 20 5 EHBDHM C[C@@H](SCc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000736193380 599331369 /nfs/dbraw/zinc/33/13/69/599331369.db2.gz QHTVFHPQMBQTBP-LLVKDONJSA-N -1 3 341.396 3.769 20 5 EHBDHM C[C@@H](SCc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000736193380 599331371 /nfs/dbraw/zinc/33/13/71/599331371.db2.gz QHTVFHPQMBQTBP-LLVKDONJSA-N -1 3 341.396 3.769 20 5 EHBDHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000833419457 604929382 /nfs/dbraw/zinc/92/93/82/604929382.db2.gz FMEPUKMAQBYXQL-GFCCVEGCSA-N -1 3 340.807 3.571 20 5 EHBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000820455670 606644549 /nfs/dbraw/zinc/64/45/49/606644549.db2.gz LBVGACCKYGLYMA-SECBINFHSA-N -1 3 344.762 3.601 20 5 EHBDHM O=[N+]([O-])c1cc(CSc2cccc(-c3nnn[n-]3)c2)ccc1Cl ZINC000823634447 607170048 /nfs/dbraw/zinc/17/00/48/607170048.db2.gz FSTZRHGXDQJHQM-UHFFFAOYSA-N -1 3 347.787 3.721 20 5 EHBDHM O=[N+]([O-])c1cc(CSc2cccc(-c3nn[n-]n3)c2)ccc1Cl ZINC000823634447 607170049 /nfs/dbraw/zinc/17/00/49/607170049.db2.gz FSTZRHGXDQJHQM-UHFFFAOYSA-N -1 3 347.787 3.721 20 5 EHBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Sc1ccccc1-c1nnn[n-]1 ZINC000826293420 609421561 /nfs/dbraw/zinc/42/15/61/609421561.db2.gz OVESYCJOBBBWQZ-LLVKDONJSA-N -1 3 341.396 3.937 20 5 EHBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Sc1ccccc1-c1nn[n-]n1 ZINC000826293420 609421563 /nfs/dbraw/zinc/42/15/63/609421563.db2.gz OVESYCJOBBBWQZ-LLVKDONJSA-N -1 3 341.396 3.937 20 5 EHBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)Sc1ccccc1-c1nnn[n-]1 ZINC000826293421 609421756 /nfs/dbraw/zinc/42/17/56/609421756.db2.gz OVESYCJOBBBWQZ-NSHDSACASA-N -1 3 341.396 3.937 20 5 EHBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)Sc1ccccc1-c1nn[n-]n1 ZINC000826293421 609421758 /nfs/dbraw/zinc/42/17/58/609421758.db2.gz OVESYCJOBBBWQZ-NSHDSACASA-N -1 3 341.396 3.937 20 5 EHBDHM CC[C@@H](c1ccccc1)N(CC(=O)[O-])Cc1ccc(F)cc1[N+](=O)[O-] ZINC001595362560 980772050 /nfs/dbraw/zinc/77/20/50/980772050.db2.gz JVRGAKHJHZHAPI-INIZCTEOSA-N -1 3 346.358 3.772 20 5 EHBDHM C[C@]1(c2ccc(F)cc2)CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000550000929 1022534417 /nfs/dbraw/zinc/53/44/17/1022534417.db2.gz YLJQNHWWQDHEAY-SFHVURJKSA-N -1 3 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SOYWDWAQPPTWQF-UHFFFAOYSA-N -1 3 338.319 3.984 20 5 EHBDHM COC(=O)c1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(F)cc1Cl ZINC001201224905 1136000134 /nfs/dbraw/zinc/00/01/34/1136000134.db2.gz WELBXPGRDLAXRM-UHFFFAOYSA-N -1 3 340.694 3.623 20 5 EHBDHM CC(C)(C)c1nnsc1C(=O)[N-]c1cccc([N+](=O)[O-])c1Cl ZINC000813244174 1136308494 /nfs/dbraw/zinc/30/84/94/1136308494.db2.gz QBYNPYNUQZFTIX-UHFFFAOYSA-N -1 3 340.792 3.650 20 5 EHBDHM O=c1[n-]ccc(N2CCC(c3cc4ccccc4[nH]3)CC2)c1[N+](=O)[O-] ZINC000853236467 1136520852 /nfs/dbraw/zinc/52/08/52/1136520852.db2.gz CBJHHCPKSDACID-UHFFFAOYSA-N -1 3 338.367 3.561 20 5 EHBDHM C[C@@H](O[N-]C(=O)CCCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000772897736 1137206380 /nfs/dbraw/zinc/20/63/80/1137206380.db2.gz RGQGRIXFIQGZQP-CQSZACIVSA-N -1 3 328.368 3.727 20 5 EHBDHM O=c1[n-]ccc(N2CCC(Cc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000866208289 1137335417 /nfs/dbraw/zinc/33/54/17/1137335417.db2.gz SKBDXHDGVHFUHJ-UHFFFAOYSA-N -1 3 347.802 3.808 20 5 EHBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820462073 599354566 /nfs/dbraw/zinc/35/45/66/599354566.db2.gz UPYZGZITXASRTA-SECBINFHSA-N -1 3 344.762 3.601 20 5 EHBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820462073 599354569 /nfs/dbraw/zinc/35/45/69/599354569.db2.gz UPYZGZITXASRTA-SECBINFHSA-N -1 3 344.762 3.601 20 5 EHBDHM O=[N+]([O-])c1cccc(CSc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000823647190 606631771 /nfs/dbraw/zinc/63/17/71/606631771.db2.gz HRHHERAGVPTEEE-UHFFFAOYSA-N -1 3 347.787 3.721 20 5 EHBDHM O=[N+]([O-])c1cccc(CSc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000823647190 606631773 /nfs/dbraw/zinc/63/17/73/606631773.db2.gz HRHHERAGVPTEEE-UHFFFAOYSA-N -1 3 347.787 3.721 20 5 EHBDHM CC(C)[C@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000820027858 606644492 /nfs/dbraw/zinc/64/44/92/606644492.db2.gz USBUMDKYGSCCDX-INIZCTEOSA-N -1 3 338.371 3.584 20 5 EHBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1 ZINC000826293438 609418994 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EHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2c(F)cccc2OC[C@@H]2CCCO2)c1 ZINC001201229540 1135997338 /nfs/dbraw/zinc/99/73/38/1135997338.db2.gz OWVJKFDEXSDITJ-AWEZNQCLSA-N -1 3 348.330 3.741 20 5 EHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccccc2OC2CCOCC2)c1 ZINC001201229816 1135997495 /nfs/dbraw/zinc/99/74/95/1135997495.db2.gz UCYSXRVOHZEJFJ-UHFFFAOYSA-N -1 3 330.340 3.602 20 5 EHBDHM Nc1ccc(F)c(Br)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201233212 1135997983 /nfs/dbraw/zinc/99/79/83/1135997983.db2.gz ZHGBFIOAXTXXJX-UHFFFAOYSA-N -1 3 342.124 3.528 20 5 EHBDHM Cc1ccc([N+](=O)[O-])c(C)c1CN[C@H](CC(=O)[O-])c1cccs1 ZINC000871879058 1137562075 /nfs/dbraw/zinc/56/20/75/1137562075.db2.gz XQTUCDMHHLNGSU-CYBMUJFWSA-N -1 3 334.397 3.579 20 5 EHBDHM Cc1nc(CC2CC2)oc1C(=O)[N-]c1c(F)ccc([N+](=O)[O-])c1C ZINC000800144491 1137899324 /nfs/dbraw/zinc/89/93/24/1137899324.db2.gz ULHLQGGLQSQHNI-UHFFFAOYSA-N -1 3 333.319 3.544 20 5 EHBDHM CCCCc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)s1 ZINC000134136394 1137943255 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CCc1ccc([C@H](C)Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cc1 ZINC000821482594 606644844 /nfs/dbraw/zinc/64/48/44/606644844.db2.gz TVEYJSRQOYGXOP-NSHDSACASA-N -1 3 338.371 3.510 20 5 EHBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000824649886 608416266 /nfs/dbraw/zinc/41/62/66/608416266.db2.gz NXFMSPDXRIXJHO-SECBINFHSA-N -1 3 344.762 3.601 20 5 EHBDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000824649886 608416268 /nfs/dbraw/zinc/41/62/68/608416268.db2.gz NXFMSPDXRIXJHO-SECBINFHSA-N -1 3 344.762 3.601 20 5 EHBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@]3(CC=CCC3)C2)c1 ZINC000593737720 974985102 /nfs/dbraw/zinc/98/51/02/974985102.db2.gz RVZYDNOKYHMVSY-GOSISDBHSA-N -1 3 330.384 3.615 20 5 EHBDHM COc1cc(C(=O)Nc2cc(Cl)ccc2[O-])cc([N+](=O)[O-])c1C ZINC000189658741 1016642580 /nfs/dbraw/zinc/64/25/80/1016642580.db2.gz GCESIEDVOMYBKJ-UHFFFAOYSA-N -1 3 336.731 3.523 20 5 EHBDHM Cc1cc([N-]c2nc3ccccc3cc2[N+](=O)[O-])nn1[C@@H](C)C1CC1 ZINC000473527048 1019568949 /nfs/dbraw/zinc/56/89/49/1019568949.db2.gz RIAPLIHAFLGLRY-LBPRGKRZSA-N -1 3 337.383 3.784 20 5 EHBDHM CCc1ccc([O-])c(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000537661372 1030917223 /nfs/dbraw/zinc/91/72/23/1030917223.db2.gz OULBGOUVXGYACQ-UHFFFAOYSA-N -1 3 340.379 3.668 20 5 EHBDHM O=c1[n-]ccc(N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000596102175 1034063330 /nfs/dbraw/zinc/06/33/30/1034063330.db2.gz QQDHXKZHQPPXRS-JOYOIKCWSA-N -1 3 339.273 3.682 20 5 EHBDHM CCO[C@H](C)c1ncc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)s1 ZINC000443856015 1037796978 /nfs/dbraw/zinc/79/69/78/1037796978.db2.gz FYIVGODLZFGWBE-MRVPVSSYSA-N -1 3 339.348 3.540 20 5 EHBDHM CCc1cccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1[O-] ZINC000093092669 1041856065 /nfs/dbraw/zinc/85/60/65/1041856065.db2.gz RMWHUWLTWVFVAZ-UHFFFAOYSA-N -1 3 340.379 3.668 20 5 EHBDHM O=C([N-]c1ccccc1SC(F)F)c1ccc([N+](=O)[O-])cn1 ZINC000761840565 1120980301 /nfs/dbraw/zinc/98/03/01/1120980301.db2.gz HULXQRKUAAUGOS-UHFFFAOYSA-N -1 3 325.296 3.557 20 5 EHBDHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1ccc([N+](=O)[O-])cc1F ZINC000081458553 1129422796 /nfs/dbraw/zinc/42/27/96/1129422796.db2.gz OQMCSWZCGPGAOM-UHFFFAOYSA-N -1 3 344.220 3.711 20 5 EHBDHM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1cnc(-c2ccco2)s1 ZINC000347971774 1131099344 /nfs/dbraw/zinc/09/93/44/1131099344.db2.gz TVZNNPIUXDVTMR-UHFFFAOYSA-N -1 3 333.300 3.703 20 5 EHBDHM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1coc(-c2ccccc2)n1 ZINC000348027233 1131130432 /nfs/dbraw/zinc/13/04/32/1131130432.db2.gz YTZOIOIGXFYUTO-UHFFFAOYSA-N -1 3 327.271 3.641 20 5 EHBDHM O=c1[n-]ccc(NCCSc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC001184644641 1133971586 /nfs/dbraw/zinc/97/15/86/1133971586.db2.gz SCLGWLNSRKILBR-UHFFFAOYSA-N -1 3 325.777 3.553 20 5 EHBDHM Cc1cc(C)cc(-c2nnc(Sc3cc[n-]c(=O)c3[N+](=O)[O-])o2)c1 ZINC001184681429 1133981433 /nfs/dbraw/zinc/98/14/33/1133981433.db2.gz OXVMRGCTTAKZIX-UHFFFAOYSA-N -1 3 344.352 3.513 20 5 EHBDHM C[C@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])c1nc2ccccc2n1C(F)F ZINC001184730446 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349.778 3.597 20 5 EHBDHM Cc1ccc(Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c(Cl)c1 ZINC000737365989 598974305 /nfs/dbraw/zinc/97/43/05/598974305.db2.gz MZIIWJXOYGEIFO-UHFFFAOYSA-N -1 3 331.719 3.529 20 5 EHBDHM Cc1ccc(Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c(Cl)c1 ZINC000737365989 598974306 /nfs/dbraw/zinc/97/43/06/598974306.db2.gz MZIIWJXOYGEIFO-UHFFFAOYSA-N -1 3 331.719 3.529 20 5 EHBDHM Cc1cccc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1C ZINC000737390398 599066199 /nfs/dbraw/zinc/06/61/99/599066199.db2.gz SYALJJPOUOXNCZ-GFCCVEGCSA-N -1 3 338.371 3.565 20 5 EHBDHM Cc1cccc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1C ZINC000737390398 599066202 /nfs/dbraw/zinc/06/62/02/599066202.db2.gz SYALJJPOUOXNCZ-GFCCVEGCSA-N -1 3 338.371 3.565 20 5 EHBDHM Cc1cc(C)cc([C@@H](C)Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000737253472 598426013 /nfs/dbraw/zinc/42/60/13/598426013.db2.gz SHTVEYZXXKUCQT-GFCCVEGCSA-N -1 3 338.371 3.565 20 5 EHBDHM Cc1cc(C)cc([C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000737253472 598426015 /nfs/dbraw/zinc/42/60/15/598426015.db2.gz SHTVEYZXXKUCQT-GFCCVEGCSA-N -1 3 338.371 3.565 20 5 EHBDHM O=[N+]([O-])c1ccccc1CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000826500824 948417996 /nfs/dbraw/zinc/41/79/96/948417996.db2.gz NPZYUBIZBTZJBM-UHFFFAOYSA-N -1 3 347.787 3.721 20 5 EHBDHM O=[N+]([O-])c1ccccc1CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000826500824 948418000 /nfs/dbraw/zinc/41/80/00/948418000.db2.gz NPZYUBIZBTZJBM-UHFFFAOYSA-N -1 3 347.787 3.721 20 5 EHBDHM CC(C)CC1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCCC1 ZINC001574167544 950484345 /nfs/dbraw/zinc/48/43/45/950484345.db2.gz DQTFVJVITBNVHT-UHFFFAOYSA-N -1 3 344.419 3.793 20 5 EHBDHM CC(C)CC1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCCC1 ZINC001574167544 950484351 /nfs/dbraw/zinc/48/43/51/950484351.db2.gz DQTFVJVITBNVHT-UHFFFAOYSA-N -1 3 344.419 3.793 20 5 EHBDHM O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1[O-] ZINC000339006755 1026341215 /nfs/dbraw/zinc/34/12/15/1026341215.db2.gz BHTYDXMPZZPRMD-UHFFFAOYSA-N -1 3 349.774 3.785 20 5 EHBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN(CC2CCCCC2)C2CC2)c1 ZINC000593740431 1033912962 /nfs/dbraw/zinc/91/29/62/1033912962.db2.gz MAMDBKIZAXIPJI-UHFFFAOYSA-N -1 3 332.400 3.838 20 5 EHBDHM C[C@@H](Cc1ccccc1C(F)(F)F)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596185157 1034101746 /nfs/dbraw/zinc/10/17/46/1034101746.db2.gz DBTATXSDFYCYHS-VIFPVBQESA-N -1 3 341.289 3.757 20 5 EHBDHM C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCc2ccc(Cl)cc21 ZINC000596289944 1034146279 /nfs/dbraw/zinc/14/62/79/1034146279.db2.gz IHGJYACXJRILMF-SNVBAGLBSA-N -1 3 333.775 3.515 20 5 EHBDHM Cc1ccc(CN[C@H](CCC(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000417604949 1040054120 /nfs/dbraw/zinc/05/41/20/1040054120.db2.gz WKMHVFCPEHOJJA-MRXNPFEDSA-N -1 3 328.368 3.599 20 5 EHBDHM Cc1cccc(C(=O)[N-]c2nc(-c3ccsc3)ns2)c1[N+](=O)[O-] ZINC000109110038 1042134958 /nfs/dbraw/zinc/13/49/58/1042134958.db2.gz ICKYNGNBTBGERJ-UHFFFAOYSA-N -1 3 346.393 3.736 20 5 EHBDHM CCCc1cc(=O)[n-]c(C(=Cc2ccc([N+](=O)[O-])cc2C)CC)n1 ZINC000193616037 1121498129 /nfs/dbraw/zinc/49/81/29/1121498129.db2.gz RQSTZEWCAYCHOE-JLHYYAGUSA-N -1 3 327.384 3.890 20 5 EHBDHM Cc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)s1 ZINC000180120674 1123943285 /nfs/dbraw/zinc/94/32/85/1123943285.db2.gz MDZZULDYAMHCAY-UHFFFAOYSA-N -1 3 338.414 3.508 20 5 EHBDHM O=C([N-]c1ccc(Cl)c([N+](=O)[O-])c1)c1cc(-c2ccccn2)no1 ZINC000742225275 1131698812 /nfs/dbraw/zinc/69/88/12/1131698812.db2.gz BWKYAKZHTPAKEB-UHFFFAOYSA-N -1 3 344.714 3.551 20 5 EHBDHM C[C@@H]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c2c([O-])cccc21 ZINC000768664836 1133168207 /nfs/dbraw/zinc/16/82/07/1133168207.db2.gz QMIJXEADUUZWRS-PGJNLMOESA-N -1 3 338.363 3.854 20 5 EHBDHM CCCCCC[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001185102042 1134029839 /nfs/dbraw/zinc/02/98/39/1134029839.db2.gz CLYSXZBDWSEQRV-NSHDSACASA-N -1 3 348.852 3.885 20 5 EHBDHM O=C(CCCc1ccc([O-])c(F)c1)OCc1cccc([N+](=O)[O-])c1 ZINC000787842843 1134047111 /nfs/dbraw/zinc/04/71/11/1134047111.db2.gz DBVLKSKAQFFXIY-UHFFFAOYSA-N -1 3 333.315 3.506 20 5 EHBDHM O=C([N-]c1cc(F)c(F)cc1F)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000102195000 1135480804 /nfs/dbraw/zinc/48/08/04/1135480804.db2.gz NUJWTYIHHXORRK-UHFFFAOYSA-N -1 3 330.649 3.918 20 5 EHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(Br)nc2Cl)c1 ZINC001199802718 1135930745 /nfs/dbraw/zinc/93/07/45/1135930745.db2.gz XEHXPAFDHHMETI-UHFFFAOYSA-N -1 3 344.552 3.855 20 5 EHBDHM O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cc([O-])ccc1Cl ZINC000810508755 1135968096 /nfs/dbraw/zinc/96/80/96/1135968096.db2.gz FWULLVBDUYEBMX-UHFFFAOYSA-N -1 3 341.150 3.537 20 5 EHBDHM CCOC(=O)c1cc(F)c(C)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201230084 1135997413 /nfs/dbraw/zinc/99/74/13/1135997413.db2.gz XKHZCQDOUAVIOC-UHFFFAOYSA-N -1 3 334.303 3.668 20 5 EHBDHM COC(=O)CCCc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001201223540 1136000040 /nfs/dbraw/zinc/00/00/40/1136000040.db2.gz ABJDFCOFYSCERS-UHFFFAOYSA-N -1 3 330.340 3.540 20 5 EHBDHM Cc1ccc(N(CC(C)C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(C)c1 ZINC000846300066 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1127493888 /nfs/dbraw/zinc/49/38/88/1127493888.db2.gz XZZJXYUAOUHPLM-VURMDHGXSA-N -1 3 325.349 3.989 20 5 EHBDHM O=[N+]([O-])c1cc(Cl)cnc1[N-]c1cnn(Cc2ccccc2)c1 ZINC000301759970 1129035917 /nfs/dbraw/zinc/03/59/17/1129035917.db2.gz ZPPJVKQSNDNOII-UHFFFAOYSA-N -1 3 329.747 3.632 20 5 EHBDHM Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1ccccc1SC1CCCC1 ZINC000161741847 1129768333 /nfs/dbraw/zinc/76/83/33/1129768333.db2.gz AKPPTRPLNBHBAZ-UHFFFAOYSA-N -1 3 346.412 3.615 20 5 EHBDHM COc1cc(C(=O)Nc2c([O-])cccc2Cl)cc([N+](=O)[O-])c1C ZINC000557183254 1129979765 /nfs/dbraw/zinc/97/97/65/1129979765.db2.gz AEFMUUIODZCMLS-UHFFFAOYSA-N -1 3 336.731 3.523 20 5 EHBDHM CCCSc1cccc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])n1 ZINC001203346323 1132074530 /nfs/dbraw/zinc/07/45/30/1132074530.db2.gz UUNMMAPVVSPUKI-UHFFFAOYSA-N -1 3 349.412 3.818 20 5 EHBDHM O=[N+]([O-])c1ccc(Nc2cc(Br)cc(F)c2[O-])cc1 ZINC001174480339 1132381721 /nfs/dbraw/zinc/38/17/21/1132381721.db2.gz SEOQBIYDTRYIGW-UHFFFAOYSA-N -1 3 327.109 3.946 20 5 EHBDHM 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EHBDHM C[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820455062 945455219 /nfs/dbraw/zinc/45/52/19/945455219.db2.gz BVDXWITZMKSDGM-VIFPVBQESA-N -1 3 344.762 3.601 20 5 EHBDHM O=C([O-])c1ccccc1CCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000583209180 974938058 /nfs/dbraw/zinc/93/80/58/974938058.db2.gz GYMJKGWSYWGQCQ-UHFFFAOYSA-N -1 3 340.379 3.500 20 5 EHBDHM O=[N+]([O-])c1ccc(NCc2ccc([O-])c(Br)c2)c(F)c1 ZINC000062702784 1018079715 /nfs/dbraw/zinc/07/97/15/1018079715.db2.gz RWXHNZZZAPQLHE-UHFFFAOYSA-N -1 3 341.136 3.814 20 5 EHBDHM Cc1ccc(-c2nc(Cc3cccc([N+](=O)[O-])c3C)no2)c([O-])c1 ZINC000436949856 1021391512 /nfs/dbraw/zinc/39/15/12/1021391512.db2.gz ZXQUOLWTNVGYQA-UHFFFAOYSA-N -1 3 325.324 3.558 20 5 EHBDHM COc1c([O-])ccc(CNc2ccc(C)cc2SC)c1[N+](=O)[O-] ZINC000894897509 1021931452 /nfs/dbraw/zinc/93/14/52/1021931452.db2.gz SHIHLEWKDGKOMY-UHFFFAOYSA-N -1 3 334.397 3.951 20 5 EHBDHM Cc1ccc([C@H](NCc2ccc(C(C)C)c([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000426676599 1022965440 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3.914 20 5 EHBDHM COc1ccc(Nc2ccc([O-])c(Br)c2)cc1[N+](=O)[O-] ZINC001176362456 1132921793 /nfs/dbraw/zinc/92/17/93/1132921793.db2.gz CVOGHTKPPJPMNW-UHFFFAOYSA-N -1 3 339.145 3.815 20 5 EHBDHM Cc1cc(=O)[n-]c([C@H](C)Sc2nc3ccc([N+](=O)[O-])cc3s2)n1 ZINC000767927436 1133067930 /nfs/dbraw/zinc/06/79/30/1133067930.db2.gz KVPWETYKLDEJNR-QMMMGPOBSA-N -1 3 348.409 3.862 20 5 EHBDHM O=C([N-]c1ccnc(F)c1F)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001131428797 1135722459 /nfs/dbraw/zinc/72/24/59/1135722459.db2.gz JEYVORHWZYTWLB-UHFFFAOYSA-N -1 3 347.199 3.539 20 5 EHBDHM COC(=O)c1cc(Cl)sc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199818571 1135928773 /nfs/dbraw/zinc/92/87/73/1135928773.db2.gz DTUKBLILGJFBIF-UHFFFAOYSA-N -1 3 328.733 3.546 20 5 EHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2nc(Cl)c(Cl)nc2Cl)c1 ZINC001199828471 1135933306 /nfs/dbraw/zinc/93/33/06/1135933306.db2.gz JHNUMUQDQQBTAO-UHFFFAOYSA-N -1 3 335.534 3.794 20 5 EHBDHM O=C(NC1CCCC1)c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001201223179 1135999563 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346.270 3.716 20 5 EHBDHM O=C(c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1)N1CCCCC1 ZINC001201221833 1135999750 /nfs/dbraw/zinc/99/97/50/1135999750.db2.gz IKGYBLLFQWOREI-UHFFFAOYSA-N -1 3 341.367 3.670 20 5 EHBDHM O=[N+]([O-])c1ccc(Cl)c(CNCc2c(F)ccc([O-])c2F)c1 ZINC000816556927 1136736193 /nfs/dbraw/zinc/73/61/93/1136736193.db2.gz YOMBQMRUISDFGT-UHFFFAOYSA-N -1 3 328.702 3.522 20 5 EHBDHM Cc1cc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)ccc1[N+](=O)[O-] ZINC000186252808 1140194480 /nfs/dbraw/zinc/19/44/80/1140194480.db2.gz WHLXEEGEAVSVDM-LLVKDONJSA-N -1 3 326.352 3.763 20 5 EHBDHM Cc1onc(-c2ccccc2)c1C(=O)[N-]c1ccc([N+](=O)[O-])cc1F ZINC000339193155 1141523334 /nfs/dbraw/zinc/52/33/34/1141523334.db2.gz STFIKPDOFSMTHK-UHFFFAOYSA-N -1 3 341.298 3.950 20 5 EHBDHM Cc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000832921520 601370299 /nfs/dbraw/zinc/37/02/99/601370299.db2.gz RSEDJWDACSUFCO-MEDUHNTESA-N -1 3 332.331 3.519 20 5 EHBDHM CC(C)(C(=O)[O-])[C@H](NCc1cccc([N+](=O)[O-])c1)c1ccccc1 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O=[N+]([O-])c1cc([O-])cc(Nc2cc(-c3ccc(F)c(F)c3)no2)c1 ZINC001199801313 1135930568 /nfs/dbraw/zinc/93/05/68/1135930568.db2.gz CUGCQMKUCNZDNC-UHFFFAOYSA-N -1 3 333.250 3.977 20 5 EHBDHM CC1(C)COC(c2cccc(Nc3cc([O-])cc([N+](=O)[O-])c3)c2)=N1 ZINC001201229765 1135997427 /nfs/dbraw/zinc/99/74/27/1135997427.db2.gz RODIMAVYXWJVEZ-UHFFFAOYSA-N -1 3 327.340 3.599 20 5 EHBDHM Cc1nn(C)c2sc(C(=O)[N-]c3c(C)c([N+](=O)[O-])ccc3F)cc12 ZINC000800151914 1137899893 /nfs/dbraw/zinc/89/98/93/1137899893.db2.gz SGTNGGDUVXJSNQ-UHFFFAOYSA-N -1 3 348.359 3.551 20 5 EHBDHM O=C(Nc1cccc(-c2cccs2)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000338137836 1138763332 /nfs/dbraw/zinc/76/33/32/1138763332.db2.gz TXLIUVZQNOUFNS-UHFFFAOYSA-N -1 3 341.348 3.676 20 5 EHBDHM C[C@H](Sc1ccccc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000820555216 599346959 /nfs/dbraw/zinc/34/69/59/599346959.db2.gz HISWAVJVXBCBFZ-JTQLQIEISA-N -1 3 327.369 3.628 20 5 EHBDHM C[C@H](Sc1ccccc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000820555216 599346962 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332.331 3.519 20 5 EHBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC000820455486 606644590 /nfs/dbraw/zinc/64/45/90/606644590.db2.gz IUJNIESQBGGQDY-VIFPVBQESA-N -1 3 344.762 3.601 20 5 EHBDHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC000820554959 607013240 /nfs/dbraw/zinc/01/32/40/607013240.db2.gz CGWHJXQFLQZAOM-JTQLQIEISA-N -1 3 327.369 3.628 20 5 EHBDHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000820554959 607013241 /nfs/dbraw/zinc/01/32/41/607013241.db2.gz CGWHJXQFLQZAOM-JTQLQIEISA-N -1 3 327.369 3.628 20 5 EHBDHM COc1cc(CNc2ccc(C3CCC3)cn2)c([N+](=O)[O-])cc1[O-] ZINC000339564432 1014996849 /nfs/dbraw/zinc/99/68/49/1014996849.db2.gz JROMFBPACKARFB-UHFFFAOYSA-N -1 3 329.356 3.584 20 5 EHBDHM CN(Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(C)(C)CC(=O)[O-] ZINC001598507706 992528942 /nfs/dbraw/zinc/52/89/42/992528942.db2.gz SXXDUXMOFVTGRM-UHFFFAOYSA-N -1 3 335.187 3.587 20 5 EHBDHM COc1cc(C)cc(-c2nc(-c3ccc(C)c([N+](=O)[O-])c3)no2)c1[O-] ZINC000436903709 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344.327 3.505 20 5 EHBDHM O=[N+]([O-])c1cccc([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC000007053267 1031215596 /nfs/dbraw/zinc/21/55/96/1031215596.db2.gz AMJCREPFXBXSDM-CMDGGOBGSA-N -1 3 338.772 3.661 20 5 EHBDHM O=c1[n-]ccc(NCC2(c3ccc(Cl)cc3)CCC2)c1[N+](=O)[O-] ZINC000596105199 1034064997 /nfs/dbraw/zinc/06/49/97/1034064997.db2.gz SKAQYIAGBDFVAC-UHFFFAOYSA-N -1 3 333.775 3.883 20 5 EHBDHM O=c1[n-]ccc(N2CCC(c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000596194967 1034107493 /nfs/dbraw/zinc/10/74/93/1034107493.db2.gz JJUWSGXTJCUGBK-UHFFFAOYSA-N -1 3 333.775 3.733 20 5 EHBDHM CC[C@@H](CC(F)(F)F)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000760717941 1036215474 /nfs/dbraw/zinc/21/54/74/1036215474.db2.gz JFVODERIXWWIMP-VIFPVBQESA-N -1 3 340.248 3.534 20 5 EHBDHM O=C(Nc1cccc(C2CCCCC2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001168216400 1037719500 /nfs/dbraw/zinc/71/95/00/1037719500.db2.gz YCRFOUBXLWEKDT-UHFFFAOYSA-N -1 3 341.367 3.995 20 5 EHBDHM O=c1[n-]ccc(N2CCC(c3ccc4[nH]ccc4c3)CC2)c1[N+](=O)[O-] ZINC000912483900 1039941679 /nfs/dbraw/zinc/94/16/79/1039941679.db2.gz DTSDLLCTFXUYKD-UHFFFAOYSA-N -1 3 338.367 3.561 20 5 EHBDHM Cc1c([N-]c2nccc(C)c2[N+](=O)[O-])cnn1-c1ccccc1F ZINC000301736110 1129013462 /nfs/dbraw/zinc/01/34/62/1129013462.db2.gz HKTFUAFSWWJOGN-UHFFFAOYSA-N -1 3 327.319 3.675 20 5 EHBDHM O=C([N-]c1cnccc1Oc1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC000195287337 1123349480 /nfs/dbraw/zinc/34/94/80/1123349480.db2.gz RSCCPLLXPSHSID-UHFFFAOYSA-N -1 3 325.280 3.627 20 5 EHBDHM CCc1ccc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1F ZINC000302074159 1129766418 /nfs/dbraw/zinc/76/64/18/1129766418.db2.gz ICDISGRGSRLXJR-UHFFFAOYSA-N -1 3 344.389 3.505 20 5 EHBDHM C[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])c1ccc([N+](=O)[O-])cc1F ZINC000543579169 1129990661 /nfs/dbraw/zinc/99/06/61/1129990661.db2.gz QMPKOMJYYZIBMQ-MRVPVSSYSA-N -1 3 338.722 3.835 20 5 EHBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc2sccc2c([O-])c1 ZINC000788281269 1134107364 /nfs/dbraw/zinc/10/73/64/1134107364.db2.gz QFGAJRRXSLFOHE-UHFFFAOYSA-N 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EHBDHM O=c1[n-]ccc(N2CCC([C@H](F)c3ccccc3F)CC2)c1[N+](=O)[O-] ZINC000596229762 1034126487 /nfs/dbraw/zinc/12/64/87/1034126487.db2.gz FVSKRVPBKBWZBS-HNNXBMFYSA-N -1 3 349.337 3.762 20 5 EHBDHM Cc1ccc(CC2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)cc1C ZINC000596237381 1034130593 /nfs/dbraw/zinc/13/05/93/1034130593.db2.gz FPYZSPSSGCYEOP-UHFFFAOYSA-N -1 3 341.411 3.771 20 5 EHBDHM COc1cc(C(=O)[N-]c2c(F)cccc2Cl)c([N+](=O)[O-])cc1F ZINC001128010947 1128361080 /nfs/dbraw/zinc/36/10/80/1128361080.db2.gz JYVLRUMAEBMJAB-UHFFFAOYSA-N -1 3 342.685 3.787 20 5 EHBDHM O=C(Nc1cc(F)ccc1[O-])c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000153520486 1128440449 /nfs/dbraw/zinc/44/04/49/1128440449.db2.gz HXZZSELLKZZQAF-UHFFFAOYSA-N -1 3 344.220 3.711 20 5 EHBDHM Cc1cccc([O-])c1C(=O)Nc1cc2nc3ccccc3nc2cc1N ZINC001188649189 1134487617 /nfs/dbraw/zinc/48/76/17/1134487617.db2.gz UBMUVUPPRZLESA-UHFFFAOYSA-N -1 3 344.374 3.632 20 5 EHBDHM COc1cccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1Br ZINC001201222814 1135999824 /nfs/dbraw/zinc/99/98/24/1135999824.db2.gz SLZKGICCHYLBEZ-UHFFFAOYSA-N -1 3 339.145 3.815 20 5 EHBDHM COc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(Br)c1 ZINC001201222833 1135999963 /nfs/dbraw/zinc/99/99/63/1135999963.db2.gz SVJSGSZPAIKZQE-UHFFFAOYSA-N -1 3 339.145 3.815 20 5 EHBDHM CNc1cccc(Br)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201223257 1136000046 /nfs/dbraw/zinc/00/00/46/1136000046.db2.gz VDOLKRMBHFWUFQ-UHFFFAOYSA-N -1 3 338.161 3.848 20 5 EHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(N3CCSCC3)c(F)c2)c1 ZINC001201224443 1136000301 /nfs/dbraw/zinc/00/03/01/1136000301.db2.gz NOMMPUYATTULEH-UHFFFAOYSA-N -1 3 349.387 3.736 20 5 EHBDHM COc1c(F)ccc(F)c1C(=O)[N-]c1cccc([N+](=O)[O-])c1Cl ZINC000813247398 1136309277 /nfs/dbraw/zinc/30/92/77/1136309277.db2.gz WLFKEVGGRBKQPG-UHFFFAOYSA-N -1 3 342.685 3.787 20 5 EHBDHM Cc1ccc(C)c(CSc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000737324011 598386415 /nfs/dbraw/zinc/38/64/15/598386415.db2.gz XQLRZLABAURMJU-UHFFFAOYSA-N -1 3 341.396 3.684 20 5 EHBDHM Cc1ccc(C)c(CSc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000737324011 598386417 /nfs/dbraw/zinc/38/64/17/598386417.db2.gz XQLRZLABAURMJU-UHFFFAOYSA-N -1 3 341.396 3.684 20 5 EHBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CCCN2C(=O)[O-])C1 ZINC000825638941 604040050 /nfs/dbraw/zinc/04/00/50/604040050.db2.gz PLJJHKACEAYZPQ-YCPHGPKFSA-N -1 3 347.415 3.510 20 5 EHBDHM C[C@@H](NCc1ccc([C@H](C)NC(=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000825502972 605114750 /nfs/dbraw/zinc/11/47/50/605114750.db2.gz MSCLESOCVIDURD-OLZOCXBDSA-N -1 3 343.383 3.774 20 5 EHBDHM COC(=O)c1ccc([N+](=O)[O-])c([N-]c2csc3ccccc23)n1 ZINC000557645725 1014363855 /nfs/dbraw/zinc/36/38/55/1014363855.db2.gz AMOYHVQDBUROOQ-UHFFFAOYSA-N -1 3 329.337 3.735 20 5 EHBDHM CC[C@](NCc1cccc([N+](=O)[O-])c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595304788 980440678 /nfs/dbraw/zinc/44/06/78/980440678.db2.gz HVMUVXMYRWGPKM-QGZVFWFLSA-N -1 3 348.786 3.728 20 5 EHBDHM Cc1c(NC(=O)CCCc2ccc([O-])c(F)c2)cccc1[N+](=O)[O-] ZINC000468568673 1017597676 /nfs/dbraw/zinc/59/76/76/1017597676.db2.gz WZERWUNAPPTUCO-UHFFFAOYSA-N -1 3 332.331 3.709 20 5 EHBDHM Cc1cc([N+](=O)[O-])ccc1CN[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000426804271 1023057812 /nfs/dbraw/zinc/05/78/12/1023057812.db2.gz SRJWVXMGHQQHTE-INIZCTEOSA-N -1 3 348.786 3.862 20 5 EHBDHM Cc1ccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c([O-])c1 ZINC000098106696 1023207763 /nfs/dbraw/zinc/20/77/63/1023207763.db2.gz VPMISXPSKYFLSY-UHFFFAOYSA-N -1 3 328.368 3.660 20 5 EHBDHM C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)c2c([O-])cccc21 ZINC000186327491 1026502507 /nfs/dbraw/zinc/50/25/07/1026502507.db2.gz JMWLEEALIRTRBQ-SNVBAGLBSA-N -1 3 330.315 3.594 20 5 EHBDHM CCOc1cc(C)ccc1NCc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000892333540 1029687502 /nfs/dbraw/zinc/68/75/02/1029687502.db2.gz MLNLDMDEJHRQCS-UHFFFAOYSA-N -1 3 332.356 3.628 20 5 EHBDHM CC[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000596147164 1034093171 /nfs/dbraw/zinc/09/31/71/1034093171.db2.gz NEDGVLYUDBYDTC-HIFRSBDPSA-N -1 3 327.384 3.716 20 5 EHBDHM O=c1[n-]ccc(NCC2(c3ccc(F)cc3F)CCCC2)c1[N+](=O)[O-] ZINC000596200524 1034109884 /nfs/dbraw/zinc/10/98/84/1034109884.db2.gz PEOOIJBOEJZMTR-UHFFFAOYSA-N -1 3 349.337 3.898 20 5 EHBDHM CCc1ccc([C@H]2CCCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)cc1 ZINC000596229943 1034128622 /nfs/dbraw/zinc/12/86/22/1034128622.db2.gz SMWCCTJHEJEBPU-HNNXBMFYSA-N -1 3 327.384 3.642 20 5 EHBDHM Cc1cc(=O)[n-]c(C=Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000486121184 1039902759 /nfs/dbraw/zinc/90/27/59/1039902759.db2.gz BIFLMHJAHBSYHP-WAYWQWQTSA-N -1 3 340.364 3.693 20 5 EHBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1ncoc1-c1ccccc1 ZINC000609558519 1123608309 /nfs/dbraw/zinc/60/83/09/1123608309.db2.gz HTPTZCXWKNWLJZ-UHFFFAOYSA-N -1 3 327.271 3.641 20 5 EHBDHM COc1cc(F)c([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1F ZINC000163274921 1129926823 /nfs/dbraw/zinc/92/68/23/1129926823.db2.gz PIZLEBSSOMQZSV-UHFFFAOYSA-N -1 3 342.685 3.787 20 5 EHBDHM O=[N+]([O-])c1ccc(F)c(Nc2ccc(Br)cc2[O-])c1 ZINC001175737070 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O=C([N-]c1c2nsnc2ccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000174059351 1033699436 /nfs/dbraw/zinc/69/94/36/1033699436.db2.gz SKHHMFCBZHMVHP-UHFFFAOYSA-N -1 3 334.744 3.505 20 5 EHBDHM C[C@]1(c2ccccc2)CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596231244 1034128417 /nfs/dbraw/zinc/12/84/17/1034128417.db2.gz OIMNQPUQLLTBLH-SFHVURJKSA-N -1 3 327.384 3.644 20 5 EHBDHM CCC(CC)c1cc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2OC)on1 ZINC000172719495 1130155613 /nfs/dbraw/zinc/15/56/13/1130155613.db2.gz JBMJZTXTOWJXFH-UHFFFAOYSA-N -1 3 333.344 3.747 20 5 EHBDHM CCCC1CCC([N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CC1 ZINC001185876880 1134148534 /nfs/dbraw/zinc/14/85/34/1134148534.db2.gz BKUJCANSUGQJAR-UHFFFAOYSA-N -1 3 346.474 3.602 20 5 EHBDHM Cc1cc(S(=O)(=O)[N-]C(CC(C)C)CC(C)C)c([N+](=O)[O-])s1 ZINC001186665742 1134239750 /nfs/dbraw/zinc/23/97/50/1134239750.db2.gz BEJYPWMATXAAED-UHFFFAOYSA-N -1 3 348.490 3.704 20 5 EHBDHM O=c1ccnc([C@H]2CC[C@H](Nc3cc(Cl)ccc3[N+](=O)[O-])CC2)[n-]1 ZINC001187872117 1134397425 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EHBDHM COCCCOc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1F ZINC001201223243 1135999878 /nfs/dbraw/zinc/99/98/78/1135999878.db2.gz ZVXMTLMDAINZEG-UHFFFAOYSA-N -1 3 336.319 3.598 20 5 EHBDHM O=[N+]([O-])c1ccc(CSc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000826498187 609449806 /nfs/dbraw/zinc/44/98/06/609449806.db2.gz KNDGKZHYKQWFPS-UHFFFAOYSA-N -1 3 347.787 3.721 20 5 EHBDHM O=[N+]([O-])c1ccc(CSc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000826498187 609449808 /nfs/dbraw/zinc/44/98/08/609449808.db2.gz KNDGKZHYKQWFPS-UHFFFAOYSA-N -1 3 347.787 3.721 20 5 EHBDHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000901521653 980338318 /nfs/dbraw/zinc/33/83/18/980338318.db2.gz DJNLDFKPWZOAAE-GFCCVEGCSA-N -1 3 340.807 3.571 20 5 EHBDHM O=[N+]([O-])c1ccc([N-]S(=O)(=O)/C=C\c2cccc(Cl)c2)cc1 ZINC000588481501 1023909193 /nfs/dbraw/zinc/90/91/93/1023909193.db2.gz QNDDIFJXHXJTSQ-HJWRWDBZSA-N -1 3 338.772 3.661 20 5 EHBDHM CCCc1cc(=O)[n-]c(C(=Cc2ccc([N+](=O)[O-])c(OC)c2)CC)n1 ZINC000435338975 1024812425 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EHBDHM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ncccc1[O-] ZINC000341882588 1023529515 /nfs/dbraw/zinc/52/95/15/1023529515.db2.gz DAQIZVDFHLATHI-UHFFFAOYSA-N -1 3 347.396 3.840 20 5 EHBDHM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nncs1 ZINC000346358443 1024665246 /nfs/dbraw/zinc/66/52/46/1024665246.db2.gz XQSWTYPOKPWHCQ-UHFFFAOYSA-N -1 3 338.414 3.591 20 5 EHBDHM COc1ccc([N+](=O)[O-])cc1COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000021730150 1028943693 /nfs/dbraw/zinc/94/36/93/1028943693.db2.gz FLGXRUKZDULDFX-UHFFFAOYSA-N -1 3 345.138 3.595 20 5 EHBDHM O=C(Nc1cc(Cc2ccccc2)ccc1[O-])c1ccc([N+](=O)[O-])cn1 ZINC000532145222 1030438120 /nfs/dbraw/zinc/43/81/20/1030438120.db2.gz YJLTYQFVBZJCFQ-UHFFFAOYSA-N -1 3 349.346 3.539 20 5 EHBDHM Cc1cccc([C@H](CC(=O)[O-])NCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000904044081 1031661718 /nfs/dbraw/zinc/66/17/18/1031661718.db2.gz YQUVJZSDVMYRMA-INIZCTEOSA-N -1 3 328.368 3.517 20 5 EHBDHM COc1cccc(C2(CNc3cc[n-]c(=O)c3[N+](=O)[O-])CCCC2)c1 ZINC000596118904 1034083260 /nfs/dbraw/zinc/08/32/60/1034083260.db2.gz GDAXRBQTELYDJN-UHFFFAOYSA-N -1 3 343.383 3.628 20 5 EHBDHM Cc1ccc([C@H]2OCCC[C@H]2CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596145090 1034090369 /nfs/dbraw/zinc/09/03/69/1034090369.db2.gz QOGVCDUPOFGFBG-WMLDXEAASA-N -1 3 343.383 3.584 20 5 EHBDHM O=c1[n-]ccc(NCC2(c3ccc(F)cc3Cl)CC2)c1[N+](=O)[O-] ZINC000596176579 1034117695 /nfs/dbraw/zinc/11/76/95/1034117695.db2.gz JAFDGIHIANZZLD-UHFFFAOYSA-N -1 3 337.738 3.632 20 5 EHBDHM O=c1[n-]ccc(N[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000596102176 1037250216 /nfs/dbraw/zinc/25/02/16/1037250216.db2.gz QQDHXKZHQPPXRS-SKDRFNHKSA-N -1 3 339.273 3.682 20 5 EHBDHM CC(C)(C(=O)Nc1cc(Cl)ccc1[O-])c1ccccc1[N+](=O)[O-] ZINC000485505132 1039173634 /nfs/dbraw/zinc/17/36/34/1039173634.db2.gz NQFZUWSTDQBCHS-UHFFFAOYSA-N -1 3 334.759 3.870 20 5 EHBDHM CCc1cc(=O)[n-]c(CS[C@@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000486124066 1039907352 /nfs/dbraw/zinc/90/73/52/1039907352.db2.gz OFKDERCCWHGBAH-NSHDSACASA-N -1 3 333.413 3.956 20 5 EHBDHM Cc1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(C(F)(F)F)no2)cc1Cl ZINC001130341141 1135309789 /nfs/dbraw/zinc/30/97/89/1135309789.db2.gz CQOKOXPOWZAHKI-UHFFFAOYSA-N -1 3 349.652 3.816 20 5 EHBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ccc(F)c(F)c2F)c1 ZINC000338413769 1138903174 /nfs/dbraw/zinc/90/31/74/1138903174.db2.gz WSSYFEVFFKRYGN-UHFFFAOYSA-N -1 3 340.257 3.663 20 5 EHBDHM O=C([N-]c1ncc(-c2ccccc2F)s1)c1ccc([N+](=O)[O-])o1 ZINC000338498425 1138942388 /nfs/dbraw/zinc/94/23/88/1138942388.db2.gz DQGGTXSDBGQOTN-UHFFFAOYSA-N -1 3 333.300 3.703 20 5 EHBDHM C[C@H](N[C@@H](CCC(=O)[O-])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000827718452 600864292 /nfs/dbraw/zinc/86/42/92/600864292.db2.gz SHTBDJWJSJMMLU-GUYCJALGSA-N -1 3 328.368 3.852 20 5 EHBDHM Cc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000832921517 601369238 /nfs/dbraw/zinc/36/92/38/601369238.db2.gz RSEDJWDACSUFCO-BZNIZROVSA-N -1 3 332.331 3.519 20 5 EHBDHM O=C([O-])CCN(Cc1ccccc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000833234712 604786928 /nfs/dbraw/zinc/78/69/28/604786928.db2.gz VKXRHUSXBOTBIE-UHFFFAOYSA-N -1 3 348.786 3.725 20 5 EHBDHM Cc1ncc([N+](=O)[O-])cc1-c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436612351 1025947059 /nfs/dbraw/zinc/94/70/59/1025947059.db2.gz MNWKIZVMGSMPLP-UHFFFAOYSA-N -1 3 348.318 3.874 20 5 EHBDHM COc1c([O-])ccc(CNc2ccccc2OCC2CC2)c1[N+](=O)[O-] ZINC000892284955 1027002081 /nfs/dbraw/zinc/00/20/81/1027002081.db2.gz QLIRJTLMAUXIMB-UHFFFAOYSA-N -1 3 344.367 3.710 20 5 EHBDHM CC(C)Cn1cc([N-]c2ncc([N+](=O)[O-])cc2C(F)(F)F)cn1 ZINC000413164213 1027190073 /nfs/dbraw/zinc/19/00/73/1027190073.db2.gz HGIQOEZNDNRSFL-UHFFFAOYSA-N -1 3 329.282 3.605 20 5 EHBDHM Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000446948851 1029869370 /nfs/dbraw/zinc/86/93/70/1029869370.db2.gz DAPIVEGMOGMRQX-UHFFFAOYSA-N -1 3 340.788 3.666 20 5 EHBDHM C[C@H](CN(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000593734036 1033882255 /nfs/dbraw/zinc/88/22/55/1033882255.db2.gz KSZLCSPPXXPVED-CYBMUJFWSA-N -1 3 328.368 3.529 20 5 EHBDHM O=c1[n-]ccc(NCc2ccccc2OC2CCCC2)c1[N+](=O)[O-] ZINC000596081740 1034073414 /nfs/dbraw/zinc/07/34/14/1034073414.db2.gz JVVJPOYSTLQQPI-UHFFFAOYSA-N -1 3 329.356 3.629 20 5 EHBDHM O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125260252 1041927849 /nfs/dbraw/zinc/92/78/49/1041927849.db2.gz WKHJPUSMQFRSTA-UHFFFAOYSA-N -1 3 340.257 3.500 20 5 EHBDHM O=[N+]([O-])c1cccnc1[N-]c1cnn(Cc2ccc(Cl)cc2)c1 ZINC000301457722 1128346119 /nfs/dbraw/zinc/34/61/19/1128346119.db2.gz IDMPQEVSZLQBCD-UHFFFAOYSA-N -1 3 329.747 3.632 20 5 EHBDHM CC(C)(C)n1cc([N-]c2ncc([N+](=O)[O-])cc2C(F)(F)F)cn1 ZINC000413094751 1120255395 /nfs/dbraw/zinc/25/53/95/1120255395.db2.gz LTVGPTHIHOBJNJ-UHFFFAOYSA-N -1 3 329.282 3.704 20 5 EHBDHM CC(C)c1noc([N-]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)n1 ZINC000181855837 1125058972 /nfs/dbraw/zinc/05/89/72/1125058972.db2.gz YMHKYUQDKXUAPX-UHFFFAOYSA-N -1 3 328.328 3.973 20 5 EHBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1OC(F)F)c1sccc1F ZINC000338904110 1129991577 /nfs/dbraw/zinc/99/15/77/1129991577.db2.gz NQGCXXGBSXEKTR-UHFFFAOYSA-N -1 3 332.259 3.649 20 5 EHBDHM CN(Cc1c(Cl)cccc1Cl)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001185054995 1134019326 /nfs/dbraw/zinc/01/93/26/1134019326.db2.gz KQKZCMHMPVNHLQ-UHFFFAOYSA-N -1 3 328.155 3.639 20 5 EHBDHM Cc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)n(Cc2ccccc2F)n1 ZINC001199828466 1135933340 /nfs/dbraw/zinc/93/33/40/1135933340.db2.gz JFXPDIBBPWFQIC-UHFFFAOYSA-N -1 3 342.330 3.736 20 5 EHBDHM O=C([N-]c1cccc([N+](=O)[O-])c1Cl)c1cc(-c2cccnc2)on1 ZINC000813246070 1136308920 /nfs/dbraw/zinc/30/89/20/1136308920.db2.gz WBUBXPVWTPXXRX-UHFFFAOYSA-N -1 3 344.714 3.551 20 5 EHBDHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000736189754 599110891 /nfs/dbraw/zinc/11/08/91/599110891.db2.gz BUZCOFBHWNAHDF-SNVBAGLBSA-N -1 3 327.369 3.628 20 5 EHBDHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000736189754 599110893 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ZINC001187199778 1134308834 /nfs/dbraw/zinc/30/88/34/1134308834.db2.gz UHGGUAQKEXCQNX-UHFFFAOYSA-N -1 3 347.680 3.980 20 5 EHBDHM Cc1cc(N)c(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1Br ZINC001201221955 1135999756 /nfs/dbraw/zinc/99/97/56/1135999756.db2.gz GMAZSYWKNOHVSQ-UHFFFAOYSA-N -1 3 338.161 3.697 20 5 EHBDHM CCOC(=O)c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(Cl)c1 ZINC001201224101 1136000167 /nfs/dbraw/zinc/00/01/67/1136000167.db2.gz IEURJCFAGXXREX-UHFFFAOYSA-N -1 3 336.731 3.874 20 5 EHBDHM Nc1c2cccnc2c2ncccc2c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201224274 1136000426 /nfs/dbraw/zinc/00/04/26/1136000426.db2.gz KJLMCNAJEODJRN-UHFFFAOYSA-N -1 3 347.334 3.723 20 5 EHBDHM COc1cc(C(=O)[N-]c2cscc2Cl)c([N+](=O)[O-])cc1OC ZINC001133067437 1136153356 /nfs/dbraw/zinc/15/33/56/1136153356.db2.gz KDMSTNNJQQNLKF-UHFFFAOYSA-N -1 3 342.760 3.579 20 5 EHBDHM Cc1cc(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)c(C)s1 ZINC000800051922 1137895848 /nfs/dbraw/zinc/89/58/48/1137895848.db2.gz WJVQUUJBXBZIEB-UHFFFAOYSA-N -1 3 344.389 3.521 20 5 EHBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1cnc(-c2ccco2)s1 ZINC000349103134 1141638918 /nfs/dbraw/zinc/63/89/18/1141638918.db2.gz BPGGIZSCYICUOF-UHFFFAOYSA-N -1 3 333.300 3.703 20 5 EHBDHM CC[C@@H](N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000828982743 601380556 /nfs/dbraw/zinc/38/05/56/601380556.db2.gz IMEPESNTJJFHLS-HZPDHXFCSA-N -1 3 332.331 3.601 20 5 EHBDHM C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1ccc(C(=O)[O-])cc1F ZINC001589000544 984939943 /nfs/dbraw/zinc/93/99/43/984939943.db2.gz ABOKQFHOBLLPKQ-KPKJPENVSA-N -1 3 344.342 3.625 20 5 EHBDHM CC[C@H](N[C@@H](C(=O)[O-])c1ccccc1C)c1cccc([N+](=O)[O-])c1 ZINC001597349513 987485875 /nfs/dbraw/zinc/48/58/75/987485875.db2.gz MNMVAFCJUWEBDM-DLBZAZTESA-N -1 3 328.368 3.770 20 5 EHBDHM O=C([N-]c1cccc([N+](=O)[O-])c1Cl)c1ccc(Br)o1 ZINC000311945686 1017756320 /nfs/dbraw/zinc/75/63/20/1017756320.db2.gz LLMRZOOUISLQLH-UHFFFAOYSA-N -1 3 345.536 3.856 20 5 EHBDHM O=C([N-]c1c(F)cccc1Br)c1ccc([N+](=O)[O-])s1 ZINC000084246166 1023861063 /nfs/dbraw/zinc/86/10/63/1023861063.db2.gz WCDYVOWRYHRGTN-UHFFFAOYSA-N -1 3 345.149 3.810 20 5 EHBDHM CC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000508323273 1025035687 /nfs/dbraw/zinc/03/56/87/1025035687.db2.gz DVYFQJVEXLFLPL-INIZCTEOSA-N -1 3 348.424 3.661 20 5 EHBDHM Cc1ccc(C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c([O-])c1 ZINC000452896530 1027086416 /nfs/dbraw/zinc/08/64/16/1027086416.db2.gz ZIVNCDHBABMRJR-OAHLLOKOSA-N -1 3 340.379 3.629 20 5 EHBDHM O=C([N-]c1nc2c(ccc3c2CCCC3)s1)c1ccc([N+](=O)[O-])o1 ZINC000505251447 1029408484 /nfs/dbraw/zinc/40/84/84/1029408484.db2.gz NWDCPVJDBFFJSZ-UHFFFAOYSA-N -1 3 343.364 3.929 20 5 EHBDHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000572980951 1030129435 /nfs/dbraw/zinc/12/94/35/1030129435.db2.gz XVBMJJKQEKDPQY-TZMCWYRMSA-N -1 3 330.359 3.818 20 5 EHBDHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596120415 1034084416 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329.747 3.881 20 5 EHBDHM O=[N+]([O-])/C=C/c1ccc(Nc2ncc(Br)cc2[O-])cc1 ZINC001175900299 1132793278 /nfs/dbraw/zinc/79/32/78/1132793278.db2.gz NRJKLDIYGASKPL-AATRIKPKSA-N -1 3 336.145 3.541 20 5 EHBDHM COc1cccc(-n2nc(C)cc2Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001199828415 1135933507 /nfs/dbraw/zinc/93/35/07/1135933507.db2.gz GVBCHXYYEBLJTD-UHFFFAOYSA-N -1 3 340.339 3.547 20 5 EHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2c(F)cccc2OC2CCOCC2)c1 ZINC001201229049 1135997164 /nfs/dbraw/zinc/99/71/64/1135997164.db2.gz ANJXZKLYLNHTLI-UHFFFAOYSA-N -1 3 348.330 3.741 20 5 EHBDHM Nc1ccc(OC(F)(F)F)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201230058 1135997251 /nfs/dbraw/zinc/99/72/51/1135997251.db2.gz WHFFDCJAZKDDLB-UHFFFAOYSA-N -1 3 329.234 3.525 20 5 EHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccccc2OCC(F)(F)F)c1 ZINC001201224935 1136000489 /nfs/dbraw/zinc/00/04/89/1136000489.db2.gz WSBBRFJKDGPIBT-UHFFFAOYSA-N -1 3 328.246 3.985 20 5 EHBDHM CCc1cccc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c1[O-] ZINC000748023907 1136633093 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1024898894 /nfs/dbraw/zinc/89/88/94/1024898894.db2.gz GZGAAFNYUXNTSE-UHFFFAOYSA-N -1 3 346.358 3.667 20 5 EHBDHM O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1cc([O-])ccc1Cl ZINC000346930702 1025322076 /nfs/dbraw/zinc/32/20/76/1025322076.db2.gz OBSVXNFBVQXQNY-UHFFFAOYSA-N -1 3 341.150 3.537 20 5 EHBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@H]1Cc1cccc(F)c1 ZINC000338923441 1026273887 /nfs/dbraw/zinc/27/38/87/1026273887.db2.gz VDTKFFIWSLHDQN-MRXNPFEDSA-N -1 3 330.359 3.647 20 5 EHBDHM O=[N+]([O-])c1cnc([N-]c2cnn(C3CCC3)c2)c(C(F)(F)F)c1 ZINC000897107216 1026367571 /nfs/dbraw/zinc/36/75/71/1026367571.db2.gz QZPWPLVUSTZMKL-UHFFFAOYSA-N -1 3 327.266 3.674 20 5 EHBDHM COc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])ccc1[N+](=O)[O-] ZINC000501947415 1027653612 /nfs/dbraw/zinc/65/36/12/1027653612.db2.gz KZAOSZLJZKHFSI-UHFFFAOYSA-N -1 3 344.367 3.859 20 5 EHBDHM Cc1c(CNC(=O)c2cc([O-])c3ccccc3c2)cccc1[N+](=O)[O-] ZINC000527470719 1030921691 /nfs/dbraw/zinc/92/16/91/1030921691.db2.gz PHKVQXZDNOZTLV-UHFFFAOYSA-N -1 3 336.347 3.692 20 5 EHBDHM CC(C)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccc(F)cc1Cl ZINC000596126058 1034082998 /nfs/dbraw/zinc/08/29/98/1034082998.db2.gz IDUDJBIGGBMRBJ-UHFFFAOYSA-N -1 3 339.754 3.878 20 5 EHBDHM O=c1[n-]ccc(NCCCO[C@H]2CCCc3ccccc32)c1[N+](=O)[O-] ZINC000596125917 1034084539 /nfs/dbraw/zinc/08/45/39/1034084539.db2.gz GCLFSYZYUMGMQU-INIZCTEOSA-N -1 3 343.383 3.592 20 5 EHBDHM O=c1[n-]ccc(N2CCC[C@H](CCCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596171370 1034117780 /nfs/dbraw/zinc/11/77/80/1034117780.db2.gz LRRSZXUYJOLUQM-INIZCTEOSA-N -1 3 341.411 3.935 20 5 EHBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cc(F)c(F)cc1Cl ZINC000058099924 1037509139 /nfs/dbraw/zinc/50/91/39/1037509139.db2.gz AENXQLNPJXTJFI-UHFFFAOYSA-N -1 3 330.649 3.918 20 5 EHBDHM COc1ccc(-c2ccc(C=Cc3nccc(=O)[n-]3)o2)c([N+](=O)[O-])c1 ZINC000764434014 1127493790 /nfs/dbraw/zinc/49/37/90/1127493790.db2.gz IRQLEENRTKXQEL-DAXSKMNVSA-N -1 3 339.307 3.529 20 5 EHBDHM Cc1cccc(-c2cnc([N-]C(=O)c3ccc([N+](=O)[O-])o3)s2)c1 ZINC000554110356 1128614852 /nfs/dbraw/zinc/61/48/52/1128614852.db2.gz WHYZKZVUNDJWNG-UHFFFAOYSA-N -1 3 329.337 3.872 20 5 EHBDHM CC(C)c1noc([N-]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000181857928 1125059219 /nfs/dbraw/zinc/05/92/19/1125059219.db2.gz LKBWZXAJMLOIOP-UHFFFAOYSA-N -1 3 328.328 3.973 20 5 EHBDHM COc1c([O-])ccc(CNc2ccc(C3CC3)cc2F)c1[N+](=O)[O-] ZINC001183473647 1133811361 /nfs/dbraw/zinc/81/13/61/1133811361.db2.gz ULDCWJVKAKJOSK-UHFFFAOYSA-N -1 3 332.331 3.938 20 5 EHBDHM CC(C)(C)NC(=O)c1ccccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201221905 1136000008 /nfs/dbraw/zinc/00/00/08/1136000008.db2.gz JVMKVHFWOCNREE-UHFFFAOYSA-N -1 3 329.356 3.572 20 5 EHBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000128400744 1137778215 /nfs/dbraw/zinc/77/82/15/1137778215.db2.gz DIKOQAXNODLXOG-UHFFFAOYSA-N -1 3 339.666 3.548 20 5 EHBDHM Cc1c([N-]C(=O)c2ccc(F)c(F)c2F)c(F)ccc1[N+](=O)[O-] ZINC000800152542 1137899928 /nfs/dbraw/zinc/89/99/28/1137899928.db2.gz UZYMKINKDPPWBN-UHFFFAOYSA-N -1 3 328.221 3.712 20 5 EHBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1ccc(Br)s1 ZINC000040214777 213281536 /nfs/dbraw/zinc/28/15/36/213281536.db2.gz IVNSTSAVDSHPTB-UHFFFAOYSA-N -1 3 345.149 3.810 20 5 EHBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CCCN2C(=O)[O-])C1 ZINC000825638939 604039364 /nfs/dbraw/zinc/03/93/64/604039364.db2.gz PLJJHKACEAYZPQ-IIAWOOMASA-N -1 3 347.415 3.510 20 5 EHBDHM C[C@@H](NCc1ccc([C@@H](C)NC(=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000825503888 604304273 /nfs/dbraw/zinc/30/42/73/604304273.db2.gz ZBQUOIFSRMLEQE-CHWSQXEVSA-N -1 3 343.383 3.774 20 5 EHBDHM CC[C@@](NCc1ccc(Cl)c([N+](=O)[O-])c1)(C(=O)[O-])c1ccccc1 ZINC000828989090 604788135 /nfs/dbraw/zinc/78/81/35/604788135.db2.gz PNCCCTRFPURTKD-KRWDZBQOSA-N -1 3 348.786 3.728 20 5 EHBDHM Cc1ccc([N+](=O)[O-])c(Oc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000822270855 606721815 /nfs/dbraw/zinc/72/18/15/606721815.db2.gz AMYIKQSFRZULBL-UHFFFAOYSA-N -1 3 331.719 3.529 20 5 EHBDHM Cc1ccc([N+](=O)[O-])c(Oc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822270855 606721817 /nfs/dbraw/zinc/72/18/17/606721817.db2.gz AMYIKQSFRZULBL-UHFFFAOYSA-N -1 3 331.719 3.529 20 5 EHBDHM O=[N+]([O-])c1ccc(Cl)c(CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738361038 945263703 /nfs/dbraw/zinc/26/37/03/945263703.db2.gz SVTOSXYVPQOAGF-UHFFFAOYSA-N -1 3 347.787 3.721 20 5 EHBDHM O=[N+]([O-])c1ccc(Cl)c(CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738361038 945263708 /nfs/dbraw/zinc/26/37/08/945263708.db2.gz SVTOSXYVPQOAGF-UHFFFAOYSA-N -1 3 347.787 3.721 20 5 EHBDHM CC(C)(NCc1ccc(C(=O)[O-])c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC001590871292 990776974 /nfs/dbraw/zinc/77/69/74/990776974.db2.gz MGYKGWUTEVSYOE-UHFFFAOYSA-N -1 3 348.786 3.971 20 5 EHBDHM C[C@H](N[C@@H](C(=O)[O-])c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC001593189062 994107879 /nfs/dbraw/zinc/10/78/79/994107879.db2.gz DAAGEFSALUOGSD-ZUZCIYMTSA-N -1 3 334.759 3.725 20 5 EHBDHM C[C@@H](N[C@H](C(=O)[O-])c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC001593189059 994108307 /nfs/dbraw/zinc/10/83/07/994108307.db2.gz DAAGEFSALUOGSD-BMIGLBTASA-N -1 3 334.759 3.725 20 5 EHBDHM O=[N+]([O-])c1cnccc1Sc1nnc([N-]c2ccccc2F)s1 ZINC000066796611 1017734045 /nfs/dbraw/zinc/73/40/45/1017734045.db2.gz XDSQZKXHBFJLMB-UHFFFAOYSA-N -1 3 349.372 3.875 20 5 EHBDHM CCc1c([N-]C(=O)c2ccc([N+](=O)[O-])cc2F)onc1C(F)(F)F ZINC000356798755 1023093950 /nfs/dbraw/zinc/09/39/50/1023093950.db2.gz SPOSFXFQPZYBQC-UHFFFAOYSA-N -1 3 347.224 3.555 20 5 EHBDHM Cc1ccc([C@H](C)NC(=O)c2cc([O-])ccc2Cl)cc1[N+](=O)[O-] ZINC000551453091 1025314281 /nfs/dbraw/zinc/31/42/81/1025314281.db2.gz DUDUPPGXOJUWLD-JTQLQIEISA-N -1 3 334.759 3.753 20 5 EHBDHM O=[N+]([O-])c1ccc([O-])cc1CN[C@H]1CCC[C@H]1OCc1ccccc1 ZINC000339185692 1026419056 /nfs/dbraw/zinc/41/90/56/1026419056.db2.gz QIFUBISRPRIGIQ-PKOBYXMFSA-N -1 3 342.395 3.528 20 5 EHBDHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000572980950 1030127438 /nfs/dbraw/zinc/12/74/38/1030127438.db2.gz XVBMJJKQEKDPQY-OCCSQVGLSA-N -1 3 330.359 3.818 20 5 EHBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1cc(-c2ccccc2)on1 ZINC000063446835 1033342752 /nfs/dbraw/zinc/34/27/52/1033342752.db2.gz SGBLILOOTZLKOQ-UHFFFAOYSA-N -1 3 327.271 3.641 20 5 EHBDHM O=c1[n-]ccc(N2CCC[C@H](c3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000596184513 1034102125 /nfs/dbraw/zinc/10/21/25/1034102125.db2.gz AXMYRCZZBXKLIG-LBPRGKRZSA-N -1 3 331.347 3.609 20 5 EHBDHM O=c1[n-]ccc(N2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c1[N+](=O)[O-] ZINC000596225739 1034126436 /nfs/dbraw/zinc/12/64/36/1034126436.db2.gz GRWUCJBQNYTAHI-QDMKHBRRSA-N -1 3 325.368 3.610 20 5 EHBDHM CCc1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c([O-])c1 ZINC000188486531 1034581258 /nfs/dbraw/zinc/58/12/58/1034581258.db2.gz UXRXTFLJUFECKQ-UHFFFAOYSA-N -1 3 340.379 3.668 20 5 EHBDHM CCc1cc(=O)[n-]c(CSCc2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000490897006 1040808562 /nfs/dbraw/zinc/80/85/62/1040808562.db2.gz DYITZKTYBZPTNN-UHFFFAOYSA-N -1 3 339.804 3.740 20 5 EHBDHM C[C@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000765648317 1127718580 /nfs/dbraw/zinc/71/85/80/1127718580.db2.gz TWUFOHYIOITDOQ-JTQLQIEISA-N -1 3 338.285 3.703 20 5 EHBDHM O=c1ccnc(C=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[n-]1 ZINC000131725095 1128722938 /nfs/dbraw/zinc/72/29/38/1128722938.db2.gz CCOZHYDRLVYMDW-ZZXKWVIFSA-N -1 3 343.726 3.762 20 5 EHBDHM Cc1cc(-c2csc([N-]C(=O)c3ccc([N+](=O)[O-])o3)n2)c(C)o1 ZINC000194252809 1121818107 /nfs/dbraw/zinc/81/81/07/1121818107.db2.gz WYEZWYZJOXVVOB-UHFFFAOYSA-N -1 3 333.325 3.773 20 5 EHBDHM O=C(Oc1cccc2ccccc21)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000916852774 1122375783 /nfs/dbraw/zinc/37/57/83/1122375783.db2.gz MATNUNLMDUHWDD-UHFFFAOYSA-N -1 3 333.303 3.844 20 5 EHBDHM O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1cc(-c2ccco2)[n-]n1 ZINC000734890992 1131289804 /nfs/dbraw/zinc/28/98/04/1131289804.db2.gz OPBDCUKDNPASIZ-UHFFFAOYSA-N -1 3 347.714 3.588 20 5 EHBDHM O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1cc(-c2ccco2)n[n-]1 ZINC000734890992 1131289807 /nfs/dbraw/zinc/28/98/07/1131289807.db2.gz OPBDCUKDNPASIZ-UHFFFAOYSA-N -1 3 347.714 3.588 20 5 EHBDHM O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1cc(-c2ccco2)[n-]n1 ZINC000746068127 1132365296 /nfs/dbraw/zinc/36/52/96/1132365296.db2.gz YVTVHOSXVVNYCZ-UHFFFAOYSA-N -1 3 347.714 3.588 20 5 EHBDHM O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1cc(-c2ccco2)n[n-]1 ZINC000746068127 1132365301 /nfs/dbraw/zinc/36/53/01/1132365301.db2.gz YVTVHOSXVVNYCZ-UHFFFAOYSA-N -1 3 347.714 3.588 20 5 EHBDHM Cc1cc([N+](=O)[O-])c(F)c(C(=O)[N-]c2nc(CC(C)C)co2)c1F ZINC001180596575 1133397253 /nfs/dbraw/zinc/39/72/53/1133397253.db2.gz SMFLFKRFGBJYSU-UHFFFAOYSA-N -1 3 339.298 3.620 20 5 EHBDHM COc1c([O-])ccc(CN2CC[C@H](C)c3ccccc32)c1[N+](=O)[O-] ZINC001180723080 1133411493 /nfs/dbraw/zinc/41/14/93/1133411493.db2.gz AJZQSGXRJBUQEP-LBPRGKRZSA-N -1 3 328.368 3.823 20 5 EHBDHM Cc1c(COC(=O)CCCc2ccc([O-])c(F)c2)cccc1[N+](=O)[O-] ZINC000787845608 1134046998 /nfs/dbraw/zinc/04/69/98/1134046998.db2.gz PYBQWTMEGGRSRE-UHFFFAOYSA-N -1 3 347.342 3.814 20 5 EHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(Cl)nc2Br)c1 ZINC001199814593 1135930992 /nfs/dbraw/zinc/93/09/92/1135930992.db2.gz LHLJQVNWEDAYPR-UHFFFAOYSA-N -1 3 344.552 3.855 20 5 EHBDHM O=C([N-]c1cc(Cl)cnc1Cl)c1c(F)cccc1[N+](=O)[O-] ZINC001273837205 1135952886 /nfs/dbraw/zinc/95/28/86/1135952886.db2.gz VFABSMLVTUEMLQ-UHFFFAOYSA-N -1 3 330.102 3.688 20 5 EHBDHM CCc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1c(C)noc1C(F)(F)F ZINC000813291863 1136312353 /nfs/dbraw/zinc/31/23/53/1136312353.db2.gz DGTCDHCAWOMFMQ-UHFFFAOYSA-N -1 3 343.261 3.725 20 5 EHBDHM O=[N+]([O-])c1cc(Br)ccc1NCc1ccc([O-])c(F)c1 ZINC000217493781 1136588864 /nfs/dbraw/zinc/58/88/64/1136588864.db2.gz RJOPEWWJSUCTEN-UHFFFAOYSA-N -1 3 341.136 3.814 20 5 EHBDHM CCC(CC)c1nnc([N-]C(=O)c2cc(C)ccc2[N+](=O)[O-])s1 ZINC000152123425 1139074221 /nfs/dbraw/zinc/07/42/21/1139074221.db2.gz XBXSLKUDJLPUPQ-UHFFFAOYSA-N -1 3 334.401 3.911 20 5 EHBDHM Cc1ccc([O-])c(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000175610228 1016455055 /nfs/dbraw/zinc/45/50/55/1016455055.db2.gz WBICGUIEXBTFAV-UHFFFAOYSA-N -1 3 340.257 3.880 20 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/nfs/dbraw/zinc/02/07/68/1026020768.db2.gz SUENEVLHJNTSCG-UHFFFAOYSA-N -1 3 347.758 3.906 20 5 EHBDHM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cc([O-])ccc1Cl ZINC000550978383 1030850654 /nfs/dbraw/zinc/85/06/54/1030850654.db2.gz QYZOYYRSYNHIDB-UHFFFAOYSA-N -1 3 348.786 3.707 20 5 EHBDHM C[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000596203688 1034109798 /nfs/dbraw/zinc/10/97/98/1034109798.db2.gz JWPVETXEWKJQBD-VIFPVBQESA-N -1 3 341.289 3.930 20 5 EHBDHM Cc1cc([N+](=O)[O-])ccc1CN[C@H](CCC(=O)[O-])c1ccccc1 ZINC000417589968 1040045132 /nfs/dbraw/zinc/04/51/32/1040045132.db2.gz AXGYCSRYRNOVKL-QGZVFWFLSA-N -1 3 328.368 3.599 20 5 EHBDHM Cc1cccc(C(=O)[N-]c2nc(-c3cccs3)ns2)c1[N+](=O)[O-] ZINC000182125632 1043858931 /nfs/dbraw/zinc/85/89/31/1043858931.db2.gz SOEDSIDWVBVIRK-UHFFFAOYSA-N -1 3 346.393 3.736 20 5 EHBDHM CC(=O)c1ccc2nc([N-]C(=O)c3ccc([N+](=O)[O-])s3)sc2c1 ZINC001128146340 1128738110 /nfs/dbraw/zinc/73/81/10/1128738110.db2.gz CFKLGGLDTKIGBG-UHFFFAOYSA-N -1 3 347.377 3.721 20 5 EHBDHM O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1cc(Cl)c(Cl)[n-]1 ZINC000919046141 1122966823 /nfs/dbraw/zinc/96/68/23/1122966823.db2.gz FRFSRCIUERLDGD-UHFFFAOYSA-N -1 3 333.102 3.726 20 5 EHBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1OC(F)F)c1scnc1Cl ZINC000920081487 1123282263 /nfs/dbraw/zinc/28/22/63/1123282263.db2.gz XVZVZFUFTCPDCB-UHFFFAOYSA-N -1 3 349.702 3.558 20 5 EHBDHM Cc1ccc(-c2cc(C(=O)O[C@H](C)c3ccc([N+](=O)[O-])cc3)n[n-]2)o1 ZINC000920154788 1123316237 /nfs/dbraw/zinc/31/62/37/1123316237.db2.gz DEXCTXSGDGEAOK-LLVKDONJSA-N -1 3 341.323 3.804 20 5 EHBDHM Cc1ccc(-c2cc(C(=O)O[C@H](C)c3ccc([N+](=O)[O-])cc3)[n-]n2)o1 ZINC000920154788 1123316240 /nfs/dbraw/zinc/31/62/40/1123316240.db2.gz DEXCTXSGDGEAOK-LLVKDONJSA-N -1 3 341.323 3.804 20 5 EHBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc([O-])c2ccccc2c1 ZINC000353343148 1129918914 /nfs/dbraw/zinc/91/89/14/1129918914.db2.gz GMUZFYBCZGRZLB-UHFFFAOYSA-N -1 3 336.347 3.726 20 5 EHBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)CCCC(C)C)c(F)cc1[N+](=O)[O-] ZINC001184533825 1133950375 /nfs/dbraw/zinc/95/03/75/1133950375.db2.gz IQBJWBHDCBGVRT-LBPRGKRZSA-N -1 3 346.424 3.535 20 5 EHBDHM Cc1ccc([N+](=O)[O-])cc1OCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001188636120 1134491447 /nfs/dbraw/zinc/49/14/47/1134491447.db2.gz YACXLSCHZXUGDR-UHFFFAOYSA-N -1 3 337.335 3.645 20 5 EHBDHM Cc1cn(-c2ccc(Nc3cc([O-])cc([N+](=O)[O-])c3)cc2F)cn1 ZINC001201224895 1136000309 /nfs/dbraw/zinc/00/03/09/1136000309.db2.gz VQVKCMLUMOTSJE-UHFFFAOYSA-N -1 3 328.303 3.677 20 5 EHBDHM CSc1ccsc1C(=O)[N-]c1cc([N+](=O)[O-])c(F)cc1F ZINC000107096728 1136160051 /nfs/dbraw/zinc/16/00/51/1136160051.db2.gz ABFXSDPNLOKDHJ-UHFFFAOYSA-N -1 3 330.337 3.909 20 5 EHBDHM Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H](CC(=O)[O-])c1cccs1 ZINC000871879059 1137562110 /nfs/dbraw/zinc/56/21/10/1137562110.db2.gz XQTUCDMHHLNGSU-ZDUSSCGKSA-N -1 3 334.397 3.579 20 5 EHBDHM CSc1ccc([O-])c(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC001626139049 1137948231 /nfs/dbraw/zinc/94/82/31/1137948231.db2.gz JPSJOKXZMMXYIT-SNVBAGLBSA-N -1 3 332.381 3.513 20 5 EHBDHM Cc1oc([N-]C(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)nc1C1CC1 ZINC000887241115 1138245966 /nfs/dbraw/zinc/24/59/66/1138245966.db2.gz FGLAHORTTLFDQO-UHFFFAOYSA-N -1 3 337.282 3.608 20 5 EHBDHM CCCCCc1nnc([N-]C(=O)c2c(C)cccc2[N+](=O)[O-])s1 ZINC000183793113 1140058878 /nfs/dbraw/zinc/05/88/78/1140058878.db2.gz GSOQGJIAOKNHIR-UHFFFAOYSA-N -1 3 334.401 3.740 20 5 EHBDHM Cc1ccc(Cl)cc1Oc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822239813 599083346 /nfs/dbraw/zinc/08/33/46/599083346.db2.gz FUWAEOBVCFHJJR-UHFFFAOYSA-N -1 3 331.719 3.529 20 5 EHBDHM Cc1ccc(Cl)cc1Oc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822239813 599083349 /nfs/dbraw/zinc/08/33/49/599083349.db2.gz FUWAEOBVCFHJJR-UHFFFAOYSA-N -1 3 331.719 3.529 20 5 EHBDHM CC(C)(C(=O)[O-])[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000833413619 605182849 /nfs/dbraw/zinc/18/28/49/605182849.db2.gz IWFOGXBZPOUJMJ-INIZCTEOSA-N -1 3 328.368 3.537 20 5 EHBDHM C[C@@](NCc1ccc(C2CC2)cc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000901940110 980641278 /nfs/dbraw/zinc/64/12/78/980641278.db2.gz MGQXEWFDVKDJEK-IBGZPJMESA-N -1 3 340.379 3.562 20 5 EHBDHM CC[C@@H](NCc1ccc(C(=O)[O-])c(C)c1)c1cccc([N+](=O)[O-])c1 ZINC001597291533 987378471 /nfs/dbraw/zinc/37/84/71/987378471.db2.gz KURRSDUMLFVLEE-QGZVFWFLSA-N -1 3 328.368 3.842 20 5 EHBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccsc2Cl)c1 ZINC000437676825 1022047347 /nfs/dbraw/zinc/04/73/47/1022047347.db2.gz LHMIWCQOQJZUJV-UHFFFAOYSA-N -1 3 346.817 3.727 20 5 EHBDHM Cc1cc(Cl)c(C(=O)[N-]c2nnc(C(C)C)s2)cc1[N+](=O)[O-] ZINC000294913688 1025996344 /nfs/dbraw/zinc/99/63/44/1025996344.db2.gz BDSLYBFMZMMCCP-UHFFFAOYSA-N -1 3 340.792 3.784 20 5 EHBDHM CSc1cc(C)ccc1[N-]C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000413890017 1028648535 /nfs/dbraw/zinc/64/85/35/1028648535.db2.gz AMLBMYJIHKMWQI-UHFFFAOYSA-N -1 3 334.401 3.724 20 5 EHBDHM O=C(c1cc([O-])ccc1Cl)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000343168847 1029600674 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CC[C@H](c1ccccc1)N(CC(=O)[O-])Cc1ccc(F)cc1[N+](=O)[O-] ZINC001595362561 980772197 /nfs/dbraw/zinc/77/21/97/980772197.db2.gz JVRGAKHJHZHAPI-MRXNPFEDSA-N -1 3 346.358 3.772 20 5 EHBDHM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(-c3ccccc3)s2)c1 ZINC000610221305 1015099008 /nfs/dbraw/zinc/09/90/08/1015099008.db2.gz DKIOPJMVOSPJQK-UHFFFAOYSA-N -1 3 340.364 3.674 20 5 EHBDHM CC[C@H](N[C@H](C(=O)[O-])c1ccccc1C)c1cccc([N+](=O)[O-])c1 ZINC001597349514 987485937 /nfs/dbraw/zinc/48/59/37/987485937.db2.gz MNMVAFCJUWEBDM-IRXDYDNUSA-N -1 3 328.368 3.770 20 5 EHBDHM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001599841100 988832339 /nfs/dbraw/zinc/83/23/39/988832339.db2.gz LHJPCONMOGYJNJ-MEBBXXQBSA-N -1 3 334.759 3.725 20 5 EHBDHM Cc1cccc(C(=O)[N-]c2nnc(CCC(C)C)s2)c1[N+](=O)[O-] ZINC000597869461 1032709981 /nfs/dbraw/zinc/70/99/81/1032709981.db2.gz IBTXBVGIMRKKBU-UHFFFAOYSA-N -1 3 334.401 3.596 20 5 EHBDHM O=C([N-]c1ncc(Cc2cccc(F)c2)s1)c1ccc([N+](=O)[O-])o1 ZINC000046271113 1032722580 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Cc1ccc([C@@H](C)NC(=O)c2cc([O-])ccc2Cl)cc1[N+](=O)[O-] ZINC000551453092 1031347107 /nfs/dbraw/zinc/34/71/07/1031347107.db2.gz DUDUPPGXOJUWLD-SNVBAGLBSA-N -1 3 334.759 3.753 20 5 EHBDHM CC(C)Oc1ccc(CC[C@H](C)Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596087469 1034076892 /nfs/dbraw/zinc/07/68/92/1034076892.db2.gz COHRHIROFXLENZ-ZDUSSCGKSA-N -1 3 345.399 3.916 20 5 EHBDHM O=c1[n-]ccc(Nc2cccc(N3CCCCCC3)c2)c1[N+](=O)[O-] ZINC000596146888 1034092946 /nfs/dbraw/zinc/09/29/46/1034092946.db2.gz TUADZYBKSIGNLA-UHFFFAOYSA-N -1 3 328.372 3.819 20 5 EHBDHM O=C(Nc1ccccc1[O-])c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000051341493 1041539205 /nfs/dbraw/zinc/53/92/05/1041539205.db2.gz FDCWHBVLHATETH-UHFFFAOYSA-N -1 3 341.348 3.676 20 5 EHBDHM COc1ccc(Cl)c(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])c1 ZINC000124162171 1129584594 /nfs/dbraw/zinc/58/45/94/1129584594.db2.gz BOXLECLQVRVWIQ-UHFFFAOYSA-N -1 3 338.747 3.583 20 5 EHBDHM COc1c([O-])ccc(CN2CCc3c2cccc3Cl)c1[N+](=O)[O-] ZINC001180750622 1133410319 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344.367 3.859 20 5 EHBDHM CC[C@@](NCc1ccc([N+](=O)[O-])c(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC001595300966 980436322 /nfs/dbraw/zinc/43/63/22/980436322.db2.gz UUQGQEWPMDVMMX-KRWDZBQOSA-N -1 3 348.786 3.728 20 5 EHBDHM C[C@@](NCc1cccc(C2CC2)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000901933370 980638227 /nfs/dbraw/zinc/63/82/27/980638227.db2.gz APTRGSYJEIGUHU-IBGZPJMESA-N -1 3 340.379 3.562 20 5 EHBDHM CN(CCc1cccc([N+](=O)[O-])c1)[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001598501844 992444882 /nfs/dbraw/zinc/44/48/82/992444882.db2.gz MZDNBOHCOLLKKH-MRXNPFEDSA-N -1 3 348.786 3.548 20 5 EHBDHM C[C@H](SCc1cc(=O)[n-]c(C2CC2)n1)c1cccc([N+](=O)[O-])c1 ZINC000419582685 1020714584 /nfs/dbraw/zinc/71/45/84/1020714584.db2.gz GDHQARALKVTOPB-JTQLQIEISA-N -1 3 331.397 3.962 20 5 EHBDHM CCn1c2cc(C)ccc2nc1-c1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000436934535 1021395825 /nfs/dbraw/zinc/39/58/25/1021395825.db2.gz SZISFYURAKCHFS-UHFFFAOYSA-N -1 3 327.340 3.654 20 5 EHBDHM CCc1ccc([O-])c(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])c1 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Cc1cc([N-]S(=O)(=O)C2=Cc3ccccc3CC2)ccc1[N+](=O)[O-] ZINC000769671264 1133327647 /nfs/dbraw/zinc/32/76/47/1133327647.db2.gz BBTATJACBOYILN-UHFFFAOYSA-N -1 3 344.392 3.632 20 5 EHBDHM Cc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)n(-c2cccc(F)c2)n1 ZINC001199818443 1135928652 /nfs/dbraw/zinc/92/86/52/1135928652.db2.gz ASKOHBZQGCHFKD-UHFFFAOYSA-N -1 3 328.303 3.677 20 5 EHBDHM Cc1cnn(-c2cccc(F)c2)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199828214 1135933412 /nfs/dbraw/zinc/93/34/12/1135933412.db2.gz CNZFDNALPXBQDK-UHFFFAOYSA-N -1 3 328.303 3.677 20 5 EHBDHM COC(=O)c1cccc2c(Nc3cc([O-])cc([N+](=O)[O-])c3)cccc12 ZINC001201230100 1135997177 /nfs/dbraw/zinc/99/71/77/1135997177.db2.gz YDTRMWDXQIRBID-UHFFFAOYSA-N -1 3 338.319 3.984 20 5 EHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc(F)c2OC[C@@H]2CCCO2)c1 ZINC001201229805 1135997291 /nfs/dbraw/zinc/99/72/91/1135997291.db2.gz SZWMCMHJMWTJCE-AWEZNQCLSA-N -1 3 348.330 3.741 20 5 EHBDHM CCOC(=O)CCc1cccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201230075 1135997399 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EHBDHM Cc1cc([C@H](NCc2ccc(C)c([N+](=O)[O-])c2)C(=O)[O-])ccc1Cl ZINC000426807587 1023052253 /nfs/dbraw/zinc/05/22/53/1023052253.db2.gz IAWOESHAMGJDQA-INIZCTEOSA-N -1 3 348.786 3.781 20 5 EHBDHM COc1cc(C)c(C)cc1NCc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000895331701 1024316399 /nfs/dbraw/zinc/31/63/99/1024316399.db2.gz VVMFZZZGRYKUFG-UHFFFAOYSA-N -1 3 332.356 3.547 20 5 EHBDHM O=[N+]([O-])c1cc(Br)ccc1SCc1ncccc1[O-] ZINC000514657048 1024641893 /nfs/dbraw/zinc/64/18/93/1024641893.db2.gz ZUHYILRIVLSZFO-UHFFFAOYSA-N -1 3 341.186 3.750 20 5 EHBDHM O=[N+]([O-])c1cc(Br)cnc1Sc1cccc([O-])c1 ZINC000130414847 1030674871 /nfs/dbraw/zinc/67/48/71/1030674871.db2.gz WPNPYNXMNVBAFM-UHFFFAOYSA-N -1 3 327.159 3.609 20 5 EHBDHM CC[C@H](C)Oc1cc(C)ccc1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596155498 1034084035 /nfs/dbraw/zinc/08/40/35/1034084035.db2.gz AZQKKLYADGBIMV-LBPRGKRZSA-N -1 3 331.372 3.793 20 5 EHBDHM O=c1[n-]ccc(Nc2ccc(COC3CCCC3)cc2)c1[N+](=O)[O-] ZINC000596134885 1034088121 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EHBDHM Cc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)c(C)s1 ZINC000788216665 1134095943 /nfs/dbraw/zinc/09/59/43/1134095943.db2.gz NWCIUYJEVJVSJD-UHFFFAOYSA-N -1 3 346.817 3.727 20 5 EHBDHM Cc1cc(N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)c(F)cc1[N+](=O)[O-] ZINC001187870567 1134396114 /nfs/dbraw/zinc/39/61/14/1134396114.db2.gz CYCPRVMGRPKMLE-HAQNSBGRSA-N -1 3 346.362 3.676 20 5 EHBDHM O=C([N-]c1ccnc(F)c1F)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001131428803 1135722234 /nfs/dbraw/zinc/72/22/34/1135722234.db2.gz JIACNPCZLJOOIJ-UHFFFAOYSA-N -1 3 347.199 3.539 20 5 EHBDHM COc1cccc(-n2ncc(C)c2Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001199828626 1135933611 /nfs/dbraw/zinc/93/36/11/1135933611.db2.gz OYFHGESGKAYNBP-UHFFFAOYSA-N -1 3 340.339 3.547 20 5 EHBDHM COc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1Br ZINC001201221545 1135999841 /nfs/dbraw/zinc/99/98/41/1135999841.db2.gz DKRIZZLVURQSQQ-UHFFFAOYSA-N -1 3 339.145 3.815 20 5 EHBDHM Cc1ccc([N+](=O)[O-])c(C)c1CNCc1cccc(CCC(=O)[O-])c1 ZINC000871876267 1137561851 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3.843 20 5 EHBDHM C[C@@H](NC(=O)[O-])c1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000825502973 605114723 /nfs/dbraw/zinc/11/47/23/605114723.db2.gz MSCLESOCVIDURD-QWHCGFSZSA-N -1 3 343.383 3.774 20 5 EHBDHM O=[N+]([O-])c1ccc(Cl)cc1CSc1ccccc1-c1nnn[n-]1 ZINC000823639942 606046229 /nfs/dbraw/zinc/04/62/29/606046229.db2.gz MYFHRCJPFWJHAN-UHFFFAOYSA-N -1 3 347.787 3.721 20 5 EHBDHM O=[N+]([O-])c1ccc(Cl)cc1CSc1ccccc1-c1nn[n-]n1 ZINC000823639942 606046232 /nfs/dbraw/zinc/04/62/32/606046232.db2.gz MYFHRCJPFWJHAN-UHFFFAOYSA-N -1 3 347.787 3.721 20 5 EHBDHM CC(C)c1ccc(CNc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000824347872 608867575 /nfs/dbraw/zinc/86/75/75/608867575.db2.gz QDBHBDUOHUHBRD-UHFFFAOYSA-N -1 3 338.371 3.510 20 5 EHBDHM CC(C)c1ccc(CNc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000824347872 608867576 /nfs/dbraw/zinc/86/75/76/608867576.db2.gz QDBHBDUOHUHBRD-UHFFFAOYSA-N -1 3 338.371 3.510 20 5 EHBDHM CC(C)CC[C@@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001574183890 950767702 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345.261 3.780 20 5 EHBDHM O=C([N-]OC1CCCC1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897306898 1027475427 /nfs/dbraw/zinc/47/54/27/1027475427.db2.gz CEBHMVFHEBNJKZ-UHFFFAOYSA-N -1 3 337.134 3.645 20 5 EHBDHM Cc1ccc(C)c(C2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)c1 ZINC000897537072 1029424913 /nfs/dbraw/zinc/42/49/13/1029424913.db2.gz KMYJRSNFXUJAQL-UHFFFAOYSA-N -1 3 327.384 3.696 20 5 EHBDHM Cc1cccc([O-])c1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000599148655 1033759928 /nfs/dbraw/zinc/75/99/28/1033759928.db2.gz JXIHBRIPFUBFHE-UHFFFAOYSA-N -1 3 328.368 3.660 20 5 EHBDHM O=c1cc(C=Cc2cc([N+](=O)[O-])ccc2OC(F)F)nc(C2CC2)[n-]1 ZINC000486075005 1039840218 /nfs/dbraw/zinc/84/02/18/1039840218.db2.gz LDNTVKPQOQBZDH-ARJAWSKDSA-N -1 3 349.293 3.740 20 5 EHBDHM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc([O-])c1F ZINC000184912539 1126710497 /nfs/dbraw/zinc/71/04/97/1126710497.db2.gz LKJRHUMTVOOUSU-LBPRGKRZSA-N -1 3 332.331 3.647 20 5 EHBDHM O=[N+]([O-])c1ccc([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000916105645 1122050297 /nfs/dbraw/zinc/05/02/97/1122050297.db2.gz XJGAIFFVBKTMHI-MDZDMXLPSA-N -1 3 338.772 3.661 20 5 EHBDHM Cc1ccc(-c2cc(C(=O)Oc3cc(Cl)ccc3[N+](=O)[O-])n[n-]2)o1 ZINC000921135157 1123469852 /nfs/dbraw/zinc/46/98/52/1123469852.db2.gz XUWGWFAMDLVOGW-UHFFFAOYSA-N -1 3 347.714 3.759 20 5 EHBDHM Cc1ccc(-c2cc(C(=O)Oc3cc(Cl)ccc3[N+](=O)[O-])[n-]n2)o1 ZINC000921135157 1123469854 /nfs/dbraw/zinc/46/98/54/1123469854.db2.gz XUWGWFAMDLVOGW-UHFFFAOYSA-N -1 3 347.714 3.759 20 5 EHBDHM COc1cc(CNc2ccc3c(c2)CC(C)(C)O3)c([N+](=O)[O-])cc1[O-] ZINC000770601308 1133449663 /nfs/dbraw/zinc/44/96/63/1133449663.db2.gz MLZHOMFAWBGHCK-UHFFFAOYSA-N -1 3 344.367 3.635 20 5 EHBDHM COc1ccc(Cl)c(NCc2ccc([O-])c(OC)c2[N+](=O)[O-])c1 ZINC001181807381 1133530748 /nfs/dbraw/zinc/53/07/48/1133530748.db2.gz FHTALBZRIOEGRG-UHFFFAOYSA-N -1 3 338.747 3.583 20 5 EHBDHM COC(=O)c1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(Cl)s1 ZINC001199815267 1135930841 /nfs/dbraw/zinc/93/08/41/1135930841.db2.gz 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C[C@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000824649894 608416143 /nfs/dbraw/zinc/41/61/43/608416143.db2.gz NXFMSPDXRIXJHO-VIFPVBQESA-N -1 3 344.762 3.601 20 5 EHBDHM C[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820455061 945455505 /nfs/dbraw/zinc/45/55/05/945455505.db2.gz BVDXWITZMKSDGM-SECBINFHSA-N -1 3 344.762 3.601 20 5 EHBDHM C[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820455061 945455514 /nfs/dbraw/zinc/45/55/14/945455514.db2.gz BVDXWITZMKSDGM-SECBINFHSA-N -1 3 344.762 3.601 20 5 EHBDHM O=[N+]([O-])c1cccc(CSc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000826499722 948415499 /nfs/dbraw/zinc/41/54/99/948415499.db2.gz UMWIZTOZCGRCEW-UHFFFAOYSA-N -1 3 347.787 3.721 20 5 EHBDHM O=[N+]([O-])c1cccc(CSc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000826499722 948415504 /nfs/dbraw/zinc/41/55/04/948415504.db2.gz UMWIZTOZCGRCEW-UHFFFAOYSA-N -1 3 347.787 3.721 20 5 EHBDHM Cc1sc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000134157800 1018715395 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