smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[C@H](C)NC(=O)[C@@H](C)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000090068681 185280661 /nfs/dbraw/zinc/28/06/61/185280661.db2.gz JYUGMOLATXFDHE-ZENOOKHLSA-N 0 1 321.421 3.329 10 5 DGBEMN CC[C@H](N[C@H]1CCCN(C(C)C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000090068520 185280682 /nfs/dbraw/zinc/28/06/82/185280682.db2.gz MJOKVWQTGLQPRJ-HOTGVXAUSA-N 0 1 319.405 3.035 10 5 DGBEMN C[C@@H]1[C@@H](C(F)(F)F)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000470942586 244197326 /nfs/dbraw/zinc/19/73/26/244197326.db2.gz CRYJEJYHQFVUMX-MFKMUULPSA-N 0 1 318.295 3.246 10 5 DGBEMN O=[N+]([O-])c1ccc(-c2ccc(CNC3(CO)CC3)o2)c(Cl)c1 ZINC000120380189 195154943 /nfs/dbraw/zinc/15/49/43/195154943.db2.gz XGICOORYPHUHAF-UHFFFAOYSA-N 0 1 322.748 3.123 10 5 DGBEMN O=[N+]([O-])c1ccc(CN2CCCC[C@H]2c2nnc[nH]2)c(Cl)c1 ZINC000182395864 432186797 /nfs/dbraw/zinc/18/67/97/432186797.db2.gz MOUQSHWFDRYSFF-ZDUSSCGKSA-N 0 1 321.768 3.094 10 5 DGBEMN C[C@@H]1CC[C@H](C)N(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000072897664 431356376 /nfs/dbraw/zinc/35/63/76/431356376.db2.gz XIAASLOYXKCVSU-NEPJUHHUSA-N 0 1 316.361 3.265 10 5 DGBEMN COc1ccc(-c2[nH]c(=O)nc(-c3ccccc3)c2[N+](=O)[O-])cc1 ZINC000008492758 431398679 /nfs/dbraw/zinc/39/86/79/431398679.db2.gz AGAPMVPPQQIDSM-UHFFFAOYSA-N 0 1 323.308 3.433 10 5 DGBEMN C[C@@H]1CC[C@H](C)CN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000076149901 431532335 /nfs/dbraw/zinc/53/23/35/431532335.db2.gz ROHCFTSXYNVCFH-NWDGAFQWSA-N 0 1 316.361 3.265 10 5 DGBEMN CC1(C)CCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000077383046 431592359 /nfs/dbraw/zinc/59/23/59/431592359.db2.gz WNJKXIQVBGGERX-UHFFFAOYSA-N 0 1 302.334 3.019 10 5 DGBEMN CCc1noc(C)c1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000121051463 431740459 /nfs/dbraw/zinc/74/04/59/431740459.db2.gz VVFYEZTVAVSISG-UHFFFAOYSA-N 0 1 309.709 3.359 10 5 DGBEMN O=[N+]([O-])c1ccc(CN2CC[C@@]3(O)CCCC[C@H]3C2)c(Cl)c1 ZINC000248023411 432262258 /nfs/dbraw/zinc/26/22/58/432262258.db2.gz OERRFIXYULUQPN-BBRMVZONSA-N 0 1 324.808 3.375 10 5 DGBEMN O=C(CN1CCC[C@@H]2CCCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000245965430 432873527 /nfs/dbraw/zinc/87/35/27/432873527.db2.gz YXRYJSJXYABHKA-DZGCQCFKSA-N 0 1 317.389 3.188 10 5 DGBEMN CN(C)Cc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1F ZINC000301278034 433486688 /nfs/dbraw/zinc/48/66/88/433486688.db2.gz JILLVQRLDOCCOA-UHFFFAOYSA-N 0 1 303.337 3.408 10 5 DGBEMN CC[C@H](NCCOc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000185086265 323380570 /nfs/dbraw/zinc/38/05/70/323380570.db2.gz LBJLTBVOXFQCCK-NSHDSACASA-N 0 1 307.375 3.171 10 5 DGBEMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@H](OC(F)F)C1 ZINC000583097228 324313290 /nfs/dbraw/zinc/31/32/90/324313290.db2.gz XZJMNILVHKMEPU-OIOXUXFSSA-N 0 1 312.316 3.312 10 5 DGBEMN Cc1[nH]nc2cc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])ccc12 ZINC000091825626 662319932 /nfs/dbraw/zinc/31/99/32/662319932.db2.gz RJWIUBKXCQFHFQ-UHFFFAOYSA-N 0 1 314.276 3.171 10 5 DGBEMN Cc1[nH]nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3F)ccc12 ZINC000091834312 193115484 /nfs/dbraw/zinc/11/54/84/193115484.db2.gz MPEIIUARTQYAOP-UHFFFAOYSA-N 0 1 314.276 3.171 10 5 DGBEMN C[C@@H]1[C@H](C(F)(F)F)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000470954854 244199960 /nfs/dbraw/zinc/19/99/60/244199960.db2.gz CWOJUDGWRLVUBD-GHMZBOCLSA-N 0 1 318.295 3.246 10 5 DGBEMN CCc1nccn1[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000105896466 194162267 /nfs/dbraw/zinc/16/22/67/194162267.db2.gz KEIYHVHDXWHPOD-INIZCTEOSA-N 0 1 314.389 3.191 10 5 DGBEMN O=[N+]([O-])c1ccc(OCCCN2CCO[C@H]3CCCC[C@@H]32)cc1 ZINC000056494635 184013579 /nfs/dbraw/zinc/01/35/79/184013579.db2.gz XOOWINUPVVITSH-IRXDYDNUSA-N 0 1 320.389 3.007 10 5 DGBEMN O=[N+]([O-])c1c2cccnc2ccc1N1CCC(c2ccn[nH]2)CC1 ZINC000110414595 285079740 /nfs/dbraw/zinc/07/97/40/285079740.db2.gz MORPZZDVRNLWGZ-UHFFFAOYSA-N 0 1 323.356 3.250 10 5 DGBEMN O=[N+]([O-])c1ccccc1OCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000072237510 400375730 /nfs/dbraw/zinc/37/57/30/400375730.db2.gz HLEFVTFXKYRAPY-UHFFFAOYSA-N 0 1 314.276 3.098 10 5 DGBEMN O=[N+]([O-])c1ccc(-c2noc(CN3CCCC34CCC4)n2)cc1 ZINC000365639522 287156953 /nfs/dbraw/zinc/15/69/53/287156953.db2.gz QUQWYJBRUDBCDF-UHFFFAOYSA-N 0 1 314.345 3.163 10 5 DGBEMN C[C@H]1CC[C@H](C)N(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000076150425 431531224 /nfs/dbraw/zinc/53/12/24/431531224.db2.gz DYTABXKOOGZTOM-RYUDHWBXSA-N 0 1 316.361 3.265 10 5 DGBEMN C[C@H](NCc1cccnc1-n1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000173315116 432271762 /nfs/dbraw/zinc/27/17/62/432271762.db2.gz MSKXVUCKBCZSLO-ZDUSSCGKSA-N 0 1 323.356 3.026 10 5 DGBEMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](Oc2cccnc2)C1 ZINC000152503775 432337634 /nfs/dbraw/zinc/33/76/34/432337634.db2.gz UBEBNUSDLHJSBW-DYVFJYSZSA-N 0 1 313.357 3.204 10 5 DGBEMN O=[N+]([O-])c1ccccc1CN(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000245868484 432866694 /nfs/dbraw/zinc/86/66/94/432866694.db2.gz LSCRTQTYMICRCO-GJZGRUSLSA-N 0 1 322.430 3.081 10 5 DGBEMN Cc1cc(C[C@@H](C)Nc2nccc3c2cccc3[N+](=O)[O-])[nH]n1 ZINC000450398147 434153965 /nfs/dbraw/zinc/15/39/65/434153965.db2.gz WXXLPSZPRLINHS-SNVBAGLBSA-N 0 1 311.345 3.218 10 5 DGBEMN O=[N+]([O-])c1ccccc1CN1CCC[C@@H](c2nccs2)C1 ZINC000157011899 527401318 /nfs/dbraw/zinc/40/13/18/527401318.db2.gz DJDSVZRUNDOSJT-CYBMUJFWSA-N 0 1 303.387 3.431 10 5 DGBEMN O=[N+]([O-])c1cc(CN[C@H](CO)c2ccccc2)ccc1Cl ZINC000096630396 655678626 /nfs/dbraw/zinc/67/86/26/655678626.db2.gz VOIHPBDXONOYTJ-CQSZACIVSA-N 0 1 306.749 3.071 10 5 DGBEMN CCN(Cn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CCCCC1 ZINC000124328141 656234834 /nfs/dbraw/zinc/23/48/34/656234834.db2.gz YAOUJZTWXNPMFS-UHFFFAOYSA-N 0 1 319.361 3.115 10 5 DGBEMN O=[N+]([O-])c1cccc(N2CCN([C@H]3C[C@@H]3c3ccccc3)CC2)c1 ZINC000225573004 659076060 /nfs/dbraw/zinc/07/60/60/659076060.db2.gz VBYGNBSOVHSAAW-MOPGFXCFSA-N 0 1 323.396 3.273 10 5 DGBEMN O=C([O-])CC[N@@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000692446214 976482928 /nfs/dbraw/zinc/48/29/28/976482928.db2.gz RPXOGFJWMLCOQS-UHFFFAOYSA-N 0 1 314.341 3.072 10 5 DGBEMN Cc1ccc(-c2nc(COc3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000072236781 191079996 /nfs/dbraw/zinc/07/99/96/191079996.db2.gz HMUPTOLBHFGQHK-UHFFFAOYSA-N 0 1 310.313 3.267 10 5 DGBEMN O=C(CN1CCC[C@H]2CCCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000067132595 432026999 /nfs/dbraw/zinc/02/69/99/432026999.db2.gz YXRYJSJXYABHKA-HIFRSBDPSA-N 0 1 317.389 3.188 10 5 DGBEMN CC[C@@H]1CCCCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000125504437 284277285 /nfs/dbraw/zinc/27/72/85/284277285.db2.gz MUFZDAWESYHUBH-LLVKDONJSA-N 0 1 316.361 3.266 10 5 DGBEMN Cc1nccn1CCC[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000127286315 284333255 /nfs/dbraw/zinc/33/32/55/284333255.db2.gz LGYDJMMZENMQHC-CYBMUJFWSA-N 0 1 302.378 3.183 10 5 DGBEMN CCc1nccn1[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000105896668 194162710 /nfs/dbraw/zinc/16/27/10/194162710.db2.gz NLLNXUACUUHBIW-OAHLLOKOSA-N 0 1 314.389 3.191 10 5 DGBEMN C[C@@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)(C)C ZINC000114196319 400385208 /nfs/dbraw/zinc/38/52/08/400385208.db2.gz IZQPRWBYFMJCKW-SNVBAGLBSA-N 0 1 304.350 3.169 10 5 DGBEMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@H](C)c1nccn1C ZINC000594997168 401223687 /nfs/dbraw/zinc/22/36/87/401223687.db2.gz YWDSTQFVNYALSU-KIWPFMIBSA-N 0 1 300.362 3.082 10 5 DGBEMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H](C)c1nccn1C ZINC000594997170 401223988 /nfs/dbraw/zinc/22/39/88/401223988.db2.gz YWDSTQFVNYALSU-SUIFULHWSA-N 0 1 300.362 3.082 10 5 DGBEMN CCC[C@H](C)NC(=O)[C@@H](C)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000246986459 165555428 /nfs/dbraw/zinc/55/54/28/165555428.db2.gz JYUGMOLATXFDHE-WOSRLPQWSA-N 0 1 321.421 3.329 10 5 DGBEMN CC(C)c1[nH]nc(C(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)c1[N+](=O)[O-] ZINC000408173668 276041156 /nfs/dbraw/zinc/04/11/56/276041156.db2.gz MNRCNVYKIWHCEH-BDJLRTHQSA-N 0 1 320.393 3.094 10 5 DGBEMN C[C@H]1CC[C@H](C)N(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000076149899 431531141 /nfs/dbraw/zinc/53/11/41/431531141.db2.gz ROHCFTSXYNVCFH-RYUDHWBXSA-N 0 1 316.361 3.265 10 5 DGBEMN O=[N+]([O-])c1ccc(Cl)c(CN2CCCC[C@H]2c2nnc[nH]2)c1 ZINC000182742438 280364360 /nfs/dbraw/zinc/36/43/60/280364360.db2.gz BWDNTXHMGDIYLM-ZDUSSCGKSA-N 0 1 321.768 3.094 10 5 DGBEMN O=[N+]([O-])c1ccc(OCCCN2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000249692981 432353720 /nfs/dbraw/zinc/35/37/20/432353720.db2.gz XOOWINUPVVITSH-SJORKVTESA-N 0 1 320.389 3.007 10 5 DGBEMN CN(CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(Cl)nc1 ZINC000177624663 432643952 /nfs/dbraw/zinc/64/39/52/432643952.db2.gz ZJCJRVVMVBBRGJ-UHFFFAOYSA-N 0 1 321.764 3.154 10 5 DGBEMN Cc1ccc(Sc2nc(-c3ccncc3)n[nH]2)c([N+](=O)[O-])c1 ZINC000301827348 433743917 /nfs/dbraw/zinc/74/39/17/433743917.db2.gz PQJILDJAKUYOQO-UHFFFAOYSA-N 0 1 313.342 3.235 10 5 DGBEMN Cc1cc(C[C@H](C)Nc2nccc3c2cccc3[N+](=O)[O-])[nH]n1 ZINC000450398146 434154217 /nfs/dbraw/zinc/15/42/17/434154217.db2.gz WXXLPSZPRLINHS-JTQLQIEISA-N 0 1 311.345 3.218 10 5 DGBEMN Cc1c(COc2ccccc2-c2nnc[nH]2)cccc1[N+](=O)[O-] ZINC000158107664 525732980 /nfs/dbraw/zinc/73/29/80/525732980.db2.gz DQLSBYJSVSCKTD-UHFFFAOYSA-N 0 1 310.313 3.267 10 5 DGBEMN COC[C@@H](NCc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000733331890 574617143 /nfs/dbraw/zinc/61/71/43/574617143.db2.gz LRPFYNMLFHOPKU-MRXNPFEDSA-N 0 1 300.358 3.381 10 5 DGBEMN O=[N+]([O-])c1cccc(N2CCN([C@@H]3C[C@@H]3c3ccccc3)CC2)c1 ZINC000225572971 655787933 /nfs/dbraw/zinc/78/79/33/655787933.db2.gz VBYGNBSOVHSAAW-RTBURBONSA-N 0 1 323.396 3.273 10 5 DGBEMN Cc1c(C[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000237799837 202357444 /nfs/dbraw/zinc/35/74/44/202357444.db2.gz ZSHZULJRDUWJEQ-RCBQFDQVSA-N 0 1 318.373 3.121 10 5 DGBEMN O=[N+]([O-])c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)o1 ZINC000005351155 400087674 /nfs/dbraw/zinc/08/76/74/400087674.db2.gz HHJFUCDUZDFOFO-UHFFFAOYSA-N 0 1 300.230 3.153 10 5 DGBEMN O=[N+]([O-])c1cnc2c(c1)CN(C[C@H]1CCCCC1(F)F)CC2 ZINC000408456610 280382472 /nfs/dbraw/zinc/38/24/72/280382472.db2.gz JVZJTTVMBUJKQR-GFCCVEGCSA-N 0 1 311.332 3.173 10 5 DGBEMN CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@H]1CCCO1 ZINC000128041502 431986778 /nfs/dbraw/zinc/98/67/78/431986778.db2.gz RGFVSYFMNWFBSQ-CYBMUJFWSA-N 0 1 316.357 3.466 10 5 DGBEMN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000262308290 432482026 /nfs/dbraw/zinc/48/20/26/432482026.db2.gz PMFARUGTHADSNC-QWHCGFSZSA-N 0 1 306.362 3.233 10 5 DGBEMN C[C@@H]1CC[C@@](CO)(N(C)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000187952769 432694903 /nfs/dbraw/zinc/69/49/03/432694903.db2.gz UORSZWWMUBSBOP-IAQYHMDHSA-N 0 1 312.797 3.231 10 5 DGBEMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CCCc2nn(C)cc21 ZINC000560943250 435195968 /nfs/dbraw/zinc/19/59/68/435195968.db2.gz DWCJIYPNMIMLKX-LRDDRELGSA-N 0 1 314.389 3.365 10 5 DGBEMN C[C@H](NCc1ccccc1[N+](=O)[O-])c1ccc(-n2ccnn2)cc1 ZINC000182043661 323281069 /nfs/dbraw/zinc/28/10/69/323281069.db2.gz ATXLBHFCZKHTOE-ZDUSSCGKSA-N 0 1 323.356 3.026 10 5 DGBEMN Cc1cc([N+](=O)[O-])ccc1CN(C)Cc1ccc2c(c1)OCO2 ZINC000183240419 323330490 /nfs/dbraw/zinc/33/04/90/323330490.db2.gz GIESMWXDIQOLHW-UHFFFAOYSA-N 0 1 314.341 3.264 10 5 DGBEMN CC[C@@H](NCCOc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000185097075 323381624 /nfs/dbraw/zinc/38/16/24/323381624.db2.gz CTSIPTDLBVYSJO-CYBMUJFWSA-N 0 1 307.375 3.171 10 5 DGBEMN Cc1cc([N+](=O)[O-])ccc1C[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000263536100 658270700 /nfs/dbraw/zinc/27/07/00/658270700.db2.gz ZHCUVWZZLDAPHX-MAZHCROVSA-N 0 1 318.373 3.121 10 5 DGBEMN CC[C@H](NCC(=O)N(C(C)C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181560806 199317452 /nfs/dbraw/zinc/31/74/52/199317452.db2.gz CUMNNIZJVQVKPU-INIZCTEOSA-N 0 1 321.421 3.281 10 5 DGBEMN Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1ccccc1[N+](=O)[O-] ZINC000105895097 194160721 /nfs/dbraw/zinc/16/07/21/194160721.db2.gz ZMGSSFRDGQFOQW-MRXNPFEDSA-N 0 1 314.389 3.282 10 5 DGBEMN Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1ccccc1[N+](=O)[O-] ZINC000105895095 194160955 /nfs/dbraw/zinc/16/09/55/194160955.db2.gz ZMGSSFRDGQFOQW-INIZCTEOSA-N 0 1 314.389 3.282 10 5 DGBEMN Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000105894926 194161094 /nfs/dbraw/zinc/16/10/94/194161094.db2.gz XHFZVWNYMALQHI-INIZCTEOSA-N 0 1 314.389 3.282 10 5 DGBEMN Cc1cnn([C@H]2CCCN(Cc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000106221103 194190818 /nfs/dbraw/zinc/19/08/18/194190818.db2.gz REQODQSZQBNTEA-INIZCTEOSA-N 0 1 314.389 3.245 10 5 DGBEMN Cc1cccc(-c2nc(COc3ccccc3[N+](=O)[O-])n[nH]2)c1 ZINC000072237538 400375902 /nfs/dbraw/zinc/37/59/02/400375902.db2.gz UKELHDTZPGMNSM-UHFFFAOYSA-N 0 1 310.313 3.267 10 5 DGBEMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000247140544 432205133 /nfs/dbraw/zinc/20/51/33/432205133.db2.gz SVSOTLWMVGXBDU-GXTWGEPZSA-N 0 1 320.389 3.319 10 5 DGBEMN C[C@@H](NCc1cccnc1-n1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000173315131 432271636 /nfs/dbraw/zinc/27/16/36/432271636.db2.gz MSKXVUCKBCZSLO-CYBMUJFWSA-N 0 1 323.356 3.026 10 5 DGBEMN Cc1ccc2nc(CNC(=O)c3ccc([N+](=O)[O-])cc3C)[nH]c2c1 ZINC000174908760 432378081 /nfs/dbraw/zinc/37/80/81/432378081.db2.gz GYVSQCKRLNBAOT-UHFFFAOYSA-N 0 1 324.340 3.018 10 5 DGBEMN C[C@H](N[C@@H](C)c1cccs1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000192678934 432400049 /nfs/dbraw/zinc/40/00/49/432400049.db2.gz QJCPVQNJTRPKIV-QWRGUYRKSA-N 0 1 319.386 3.334 10 5 DGBEMN CCCCCNC(=O)[C@@H](C)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000178670242 432764791 /nfs/dbraw/zinc/76/47/91/432764791.db2.gz JBHISWFRMRXDPA-CZUORRHYSA-N 0 1 321.421 3.330 10 5 DGBEMN Cc1nc([C@H]2CCCCN2c2cc(C)c([N+](=O)[O-])cc2F)n[nH]1 ZINC000360067310 434501962 /nfs/dbraw/zinc/50/19/62/434501962.db2.gz WBXJAJPDQPVPAW-GFCCVEGCSA-N 0 1 319.340 3.200 10 5 DGBEMN CC1(C)CCCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000408413132 434571840 /nfs/dbraw/zinc/57/18/40/434571840.db2.gz CIILDEJZGFNLMS-UHFFFAOYSA-N 0 1 316.361 3.123 10 5 DGBEMN CCCN1CCC[C@@H]1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000443085033 528225940 /nfs/dbraw/zinc/22/59/40/528225940.db2.gz IULALXCVZODVRH-CYBMUJFWSA-N 0 1 302.334 3.192 10 5 DGBEMN CN(CCOc1cccc([N+](=O)[O-])c1)Cc1ccc(Cl)nc1 ZINC000174584484 659440574 /nfs/dbraw/zinc/44/05/74/659440574.db2.gz RGDQMTLSSVTERF-UHFFFAOYSA-N 0 1 321.764 3.154 10 5 DGBEMN CC(C)c1ccc(C[N@H+]2CCC[C@H](C(=O)[O-])[C@@H]2C)cc1[N+](=O)[O-] ZINC000263081648 1204334641 /nfs/dbraw/zinc/33/46/41/1204334641.db2.gz RPHSQMFLDDYMBP-WFASDCNBSA-N 0 1 320.389 3.403 10 5 DGBEMN COc1cc(=O)c2c(O)c(-c3ccc([N+](=O)[O-])cc3)coc-2c1 ZINC000090527699 185300683 /nfs/dbraw/zinc/30/06/83/185300683.db2.gz PEEOIEYZYGKGAG-UHFFFAOYSA-N 0 1 313.265 3.082 10 5 DGBEMN COc1ccc([N+](=O)[O-])cc1-c1n[nH]c(-c2cccs2)n1 ZINC000072237803 191081862 /nfs/dbraw/zinc/08/18/62/191081862.db2.gz YAEGWEILJCLIEX-UHFFFAOYSA-N 0 1 302.315 3.117 10 5 DGBEMN Cc1[nH]nc2cc(NC(=O)c3csc([N+](=O)[O-])c3)ccc12 ZINC000180328893 432084127 /nfs/dbraw/zinc/08/41/27/432084127.db2.gz CCOIQKXCWKPFSE-UHFFFAOYSA-N 0 1 302.315 3.093 10 5 DGBEMN C[C@H]1[C@H](C(F)(F)F)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000470955783 244199232 /nfs/dbraw/zinc/19/92/32/244199232.db2.gz OOYBXVWOCHPONP-GXFFZTMASA-N 0 1 318.295 3.246 10 5 DGBEMN CN(c1ccccc1)c1ncnc(Nc2ccccn2)c1[N+](=O)[O-] ZINC000040625323 183111155 /nfs/dbraw/zinc/11/11/55/183111155.db2.gz LCXHUFQSVHNJRM-UHFFFAOYSA-N 0 1 322.328 3.291 10 5 DGBEMN COCCCOC1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000122569111 195469075 /nfs/dbraw/zinc/46/90/75/195469075.db2.gz GKEYKCZGBWWRSO-AWEZNQCLSA-N 0 1 322.405 3.173 10 5 DGBEMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000247140558 432206256 /nfs/dbraw/zinc/20/62/56/432206256.db2.gz SVSOTLWMVGXBDU-TZMCWYRMSA-N 0 1 320.389 3.319 10 5 DGBEMN COc1ccc(OCCN(C)Cc2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000173491517 228281346 /nfs/dbraw/zinc/28/13/46/228281346.db2.gz MIUAHRPRFGQVDN-UHFFFAOYSA-N 0 1 320.345 3.016 10 5 DGBEMN C[C@@H]1CC[C@@H](C)N(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000076150427 431530738 /nfs/dbraw/zinc/53/07/38/431530738.db2.gz DYTABXKOOGZTOM-VXGBXAGGSA-N 0 1 316.361 3.265 10 5 DGBEMN Cc1cnn([C@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3C)C2)c1 ZINC000183334096 432283491 /nfs/dbraw/zinc/28/34/91/432283491.db2.gz CZEQVPDYGOBHBI-KRWDZBQOSA-N 0 1 314.389 3.245 10 5 DGBEMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178508592 432744927 /nfs/dbraw/zinc/74/49/27/432744927.db2.gz SVSOTLWMVGXBDU-JSGCOSHPSA-N 0 1 320.389 3.319 10 5 DGBEMN CC(=O)c1ccc2c(c1)CCN(Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000374331335 293384643 /nfs/dbraw/zinc/38/46/43/293384643.db2.gz PVNKMAZCQCOOCA-UHFFFAOYSA-N 0 1 324.380 3.398 10 5 DGBEMN Cc1ccc2nc(CNc3ncc(Cl)cc3[N+](=O)[O-])[nH]c2c1 ZINC000434948261 534506012 /nfs/dbraw/zinc/50/60/12/534506012.db2.gz VWPFYIGMGJCVJC-UHFFFAOYSA-N 0 1 317.736 3.440 10 5 DGBEMN Cc1cc([N+](=O)[O-])ccc1C[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000263536102 658270683 /nfs/dbraw/zinc/27/06/83/658270683.db2.gz ZHCUVWZZLDAPHX-WQVCFCJDSA-N 0 1 318.373 3.121 10 5 DGBEMN C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)C[C@H]1C ZINC000235371637 1202604427 /nfs/dbraw/zinc/60/44/27/1202604427.db2.gz LNJPIDLSQPAACH-NXEZZACHSA-N 0 1 313.195 3.445 10 5 DGBEMN O=[N+]([O-])c1ccc2[nH]c(CN3C[C@H]4CCCC[C@@H]4C3)nc2c1 ZINC000444649443 239312431 /nfs/dbraw/zinc/31/24/31/239312431.db2.gz JLUOHZCYJPNHPK-VXGBXAGGSA-N 0 1 300.362 3.093 10 5 DGBEMN Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000105894950 194160811 /nfs/dbraw/zinc/16/08/11/194160811.db2.gz XTTCYKXZIFEQIE-MRXNPFEDSA-N 0 1 314.389 3.282 10 5 DGBEMN C[C@@H]1CC[C@H](C)CN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000076150429 431532255 /nfs/dbraw/zinc/53/22/55/431532255.db2.gz DYTABXKOOGZTOM-NWDGAFQWSA-N 0 1 316.361 3.265 10 5 DGBEMN CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@@H]1CCCO1 ZINC000128041283 431986340 /nfs/dbraw/zinc/98/63/40/431986340.db2.gz RGFVSYFMNWFBSQ-ZDUSSCGKSA-N 0 1 316.357 3.466 10 5 DGBEMN Cc1cnn([C@@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3C)C2)c1 ZINC000183334122 432283871 /nfs/dbraw/zinc/28/38/71/432283871.db2.gz CZEQVPDYGOBHBI-QGZVFWFLSA-N 0 1 314.389 3.245 10 5 DGBEMN C[C@@H](N[C@@H](C)c1cccs1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000192675596 432399431 /nfs/dbraw/zinc/39/94/31/432399431.db2.gz ZSYIDOFGBQKDAF-WDEREUQCSA-N 0 1 319.386 3.334 10 5 DGBEMN CC(C)C[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000185426439 432499066 /nfs/dbraw/zinc/49/90/66/432499066.db2.gz BDAVXKNYCIAZTL-JTQLQIEISA-N 0 1 317.349 3.001 10 5 DGBEMN CCc1ccc([C@@H]2CCCCN2CCn2ccc([N+](=O)[O-])n2)o1 ZINC000176262367 432505890 /nfs/dbraw/zinc/50/58/90/432505890.db2.gz XERSWXNIEILRSJ-AWEZNQCLSA-N 0 1 318.377 3.174 10 5 DGBEMN CC[C@@H](N[C@@H]1CCCN(C(C)C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000178674690 432764598 /nfs/dbraw/zinc/76/45/98/432764598.db2.gz MJOKVWQTGLQPRJ-HZPDHXFCSA-N 0 1 319.405 3.035 10 5 DGBEMN Cc1ccc([C@H](C)CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000506487984 294271432 /nfs/dbraw/zinc/27/14/32/294271432.db2.gz QFUZWCGPGBFUKD-GFCCVEGCSA-N 0 1 314.341 3.142 10 5 DGBEMN CC[C@@H](NCCOc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000185086282 323380420 /nfs/dbraw/zinc/38/04/20/323380420.db2.gz LBJLTBVOXFQCCK-LLVKDONJSA-N 0 1 307.375 3.171 10 5 DGBEMN O=[N+]([O-])c1ccc(CNCc2cnn(Cc3ccccc3)c2)cc1 ZINC000075781816 1196420927 /nfs/dbraw/zinc/42/09/27/1196420927.db2.gz KCJCQCGWWDJDIJ-UHFFFAOYSA-N 0 1 322.368 3.129 10 5 DGBEMN C[C@H](NCc1ccc(CO)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000173347300 186178764 /nfs/dbraw/zinc/17/87/64/186178764.db2.gz FPFVYTAGOHRMKE-NSHDSACASA-N 0 1 304.321 3.077 10 5 DGBEMN C[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccs1 ZINC000179693344 186207038 /nfs/dbraw/zinc/20/70/38/186207038.db2.gz YLDJBKYYXLMOER-JTQLQIEISA-N 0 1 320.370 3.374 10 5 DGBEMN O=[N+]([O-])c1cccc([C@@H](N[C@@H]2CCCOC2)c2ccccc2)c1 ZINC000180491696 432088525 /nfs/dbraw/zinc/08/85/25/432088525.db2.gz HYOVXNRTUUWKPP-AEFFLSMTSA-N 0 1 312.369 3.453 10 5 DGBEMN Cc1[nH]nc2cc(NC(=O)CCc3cccc([N+](=O)[O-])c3)ccc12 ZINC000091826921 193112950 /nfs/dbraw/zinc/11/29/50/193112950.db2.gz MOPSGAVPFAQGBD-UHFFFAOYSA-N 0 1 324.340 3.351 10 5 DGBEMN Cc1[nH]nc2cc(NC(=O)c3cc(C)cc([N+](=O)[O-])c3)ccc12 ZINC000091835889 193115196 /nfs/dbraw/zinc/11/51/96/193115196.db2.gz CNSAGRFKOXBBAM-UHFFFAOYSA-N 0 1 310.313 3.340 10 5 DGBEMN Cc1ccccc1[C@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000045269385 400517305 /nfs/dbraw/zinc/51/73/05/400517305.db2.gz NJXKGCPPLOQZJX-NSHDSACASA-N 0 1 324.340 3.271 10 5 DGBEMN Cc1cc(NCc2ccc(F)c(CN(C)C)c2)ncc1[N+](=O)[O-] ZINC000074763571 400533683 /nfs/dbraw/zinc/53/36/83/400533683.db2.gz TTZAQLCECXOVCS-UHFFFAOYSA-N 0 1 318.352 3.111 10 5 DGBEMN CCCc1[nH]nc(C(=O)N2CCC(C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000172131304 432197625 /nfs/dbraw/zinc/19/76/25/432197625.db2.gz MCZVVRUJSHSPKD-UHFFFAOYSA-N 0 1 322.409 3.169 10 5 DGBEMN O=[N+]([O-])c1ccccc1CN(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000123575987 275039765 /nfs/dbraw/zinc/03/97/65/275039765.db2.gz LSCRTQTYMICRCO-CABCVRRESA-N 0 1 322.430 3.081 10 5 DGBEMN O=[N+]([O-])c1ccc(OCCCN2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000249692980 432353826 /nfs/dbraw/zinc/35/38/26/432353826.db2.gz XOOWINUPVVITSH-IAGOWNOFSA-N 0 1 320.389 3.007 10 5 DGBEMN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000192678944 432400023 /nfs/dbraw/zinc/40/00/23/432400023.db2.gz QJCPVQNJTRPKIV-MNOVXSKESA-N 0 1 319.386 3.334 10 5 DGBEMN C[C@@H](N[C@H](C)c1cccs1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000192678970 432400403 /nfs/dbraw/zinc/40/04/03/432400403.db2.gz QJCPVQNJTRPKIV-GHMZBOCLSA-N 0 1 319.386 3.334 10 5 DGBEMN O=[N+]([O-])c1cccc(OCCN2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000193214324 432457490 /nfs/dbraw/zinc/45/74/90/432457490.db2.gz FJQJFHURKRISRL-LLVKDONJSA-N 0 1 318.295 3.248 10 5 DGBEMN CC[C@H](N[C@@H](C)C(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000178099248 432695044 /nfs/dbraw/zinc/69/50/44/432695044.db2.gz NIPFPMHCAJHTOH-LRDDRELGSA-N 0 1 319.405 3.083 10 5 DGBEMN Cc1nc([C@@H]2CCCCN2c2cc(C)c([N+](=O)[O-])cc2F)n[nH]1 ZINC000360067311 434501874 /nfs/dbraw/zinc/50/18/74/434501874.db2.gz WBXJAJPDQPVPAW-LBPRGKRZSA-N 0 1 319.340 3.200 10 5 DGBEMN C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)C[C@@H]1C ZINC000235668763 1202604700 /nfs/dbraw/zinc/60/47/00/1202604700.db2.gz LNJPIDLSQPAACH-UWVGGRQHSA-N 0 1 313.195 3.445 10 5 DGBEMN C[C@H]1[C@@H](C(F)(F)F)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000470955782 244199702 /nfs/dbraw/zinc/19/97/02/244199702.db2.gz OOYBXVWOCHPONP-GWCFXTLKSA-N 0 1 318.295 3.246 10 5 DGBEMN Cc1cccc(NC[C@@H]2CCN(c3ccccc3[N+](=O)[O-])C2)n1 ZINC000171365651 432126890 /nfs/dbraw/zinc/12/68/90/432126890.db2.gz OMLSYDHWACLDKB-AWEZNQCLSA-N 0 1 312.373 3.237 10 5 DGBEMN Cc1nccn1CCC[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000127286045 284333367 /nfs/dbraw/zinc/33/33/67/284333367.db2.gz LGYDJMMZENMQHC-ZDUSSCGKSA-N 0 1 302.378 3.183 10 5 DGBEMN Cc1ccnc(Nc2ncnc(NC(C)(C)C)c2[N+](=O)[O-])c1 ZINC000040581501 183105364 /nfs/dbraw/zinc/10/53/64/183105364.db2.gz BRLXHRJYXAVURP-UHFFFAOYSA-N 0 1 302.338 3.042 10 5 DGBEMN CCN(CC)c1ncnc(Nc2cccnc2Cl)c1[N+](=O)[O-] ZINC000040608258 183108957 /nfs/dbraw/zinc/10/89/57/183108957.db2.gz XUUNXQWFUVENDA-UHFFFAOYSA-N 0 1 322.756 3.023 10 5 DGBEMN Cc1cccnc1Nc1ncnc(NC2CCCC2)c1[N+](=O)[O-] ZINC000040626042 183110551 /nfs/dbraw/zinc/11/05/51/183110551.db2.gz AJWNSFCAQOKCBV-UHFFFAOYSA-N 0 1 314.349 3.186 10 5 DGBEMN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000183372734 432286817 /nfs/dbraw/zinc/28/68/17/432286817.db2.gz FSWGKHRUZLXOEC-CQSZACIVSA-N 0 1 320.389 3.067 10 5 DGBEMN C[C@H]1CC[C@](CO)(N(C)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000187952844 432695321 /nfs/dbraw/zinc/69/53/21/432695321.db2.gz UORSZWWMUBSBOP-NHYWBVRUSA-N 0 1 312.797 3.231 10 5 DGBEMN Cc1ccc([C@H](C)NCc2ccc(CO)c(F)c2)cc1[N+](=O)[O-] ZINC000178562938 432753044 /nfs/dbraw/zinc/75/30/44/432753044.db2.gz BMGFOHJSEZSTJO-LBPRGKRZSA-N 0 1 318.348 3.385 10 5 DGBEMN CCC(CC)NC(=O)[C@@H](C)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000178670500 432764191 /nfs/dbraw/zinc/76/41/91/432764191.db2.gz SJHLZOSWKCSODU-MLGOLLRUSA-N 0 1 321.421 3.329 10 5 DGBEMN CC(=O)c1ccc(O)c(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000436864381 434142332 /nfs/dbraw/zinc/14/23/32/434142332.db2.gz YVVPXUUYVZYRKL-UHFFFAOYSA-N 0 1 320.326 3.125 10 5 DGBEMN C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccc(-n2ccnn2)cc1 ZINC000182043680 323280998 /nfs/dbraw/zinc/28/09/98/323280998.db2.gz ATXLBHFCZKHTOE-CYBMUJFWSA-N 0 1 323.356 3.026 10 5 DGBEMN CCn1cc(C2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000160465739 523358008 /nfs/dbraw/zinc/35/80/08/523358008.db2.gz ZSGJTJPMMGJJIH-UHFFFAOYSA-N 0 1 314.389 3.191 10 5 DGBEMN O=[N+]([O-])c1cccc([C@H](N[C@H]2CCCOC2)c2ccccc2)c1 ZINC000180491748 432088636 /nfs/dbraw/zinc/08/86/36/432088636.db2.gz HYOVXNRTUUWKPP-FUHWJXTLSA-N 0 1 312.369 3.453 10 5 DGBEMN C[C@H](CNc1ncc(Cl)cc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000434950187 238258627 /nfs/dbraw/zinc/25/86/27/238258627.db2.gz GZQWPPMEEBPVJU-GHMZBOCLSA-N 0 1 312.801 3.318 10 5 DGBEMN Cc1c(C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000261850165 203134566 /nfs/dbraw/zinc/13/45/66/203134566.db2.gz ZSHZULJRDUWJEQ-WQVCFCJDSA-N 0 1 318.373 3.121 10 5 DGBEMN Cc1c(C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000261850157 203134734 /nfs/dbraw/zinc/13/47/34/203134734.db2.gz ZSHZULJRDUWJEQ-MAZHCROVSA-N 0 1 318.373 3.121 10 5 DGBEMN CC[C@@H](NCC(=O)NCCC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181533725 432133671 /nfs/dbraw/zinc/13/36/71/432133671.db2.gz MTYJLMJEBRGGHW-OAHLLOKOSA-N 0 1 321.421 3.188 10 5 DGBEMN CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C(C)(C)c1ccccc1 ZINC000586834338 400165354 /nfs/dbraw/zinc/16/53/54/400165354.db2.gz CQQJPGKZLZPEBU-UHFFFAOYSA-N 0 1 314.341 3.308 10 5 DGBEMN COC1=C(c2ccc([N+](=O)[O-])c(OC(C)C)c2)CCN(C)C1 ZINC000215975240 400948838 /nfs/dbraw/zinc/94/88/38/400948838.db2.gz HPBOIYVWGLCJBL-UHFFFAOYSA-N 0 1 306.362 3.075 10 5 DGBEMN CC(=O)c1ccc(NCCN2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000079914507 400906450 /nfs/dbraw/zinc/90/64/50/400906450.db2.gz WWNAJLOCNHSEST-GFCCVEGCSA-N 0 1 305.378 3.084 10 5 DGBEMN O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2Cc3ccccc3C3(CC3)C2)c1 ZINC000186222247 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Cc1cccnc1Nc1ncnc(NC(C)(C)C)c1[N+](=O)[O-] ZINC000040581653 183105277 /nfs/dbraw/zinc/10/52/77/183105277.db2.gz PGQQOXFDUPKDBW-UHFFFAOYSA-N 0 1 302.338 3.042 10 5 DGBEMN CC(C)(C)Nc1ncnc(Nc2ccc(Cl)cn2)c1[N+](=O)[O-] ZINC000040581696 183105370 /nfs/dbraw/zinc/10/53/70/183105370.db2.gz VKTBGIPQRKWOQB-UHFFFAOYSA-N 0 1 322.756 3.387 10 5 DGBEMN CCN(CC)c1ncnc(Nc2ccc(Cl)cn2)c1[N+](=O)[O-] ZINC000040608034 183108827 /nfs/dbraw/zinc/10/88/27/183108827.db2.gz SMPSJJOHAGWERG-UHFFFAOYSA-N 0 1 322.756 3.023 10 5 DGBEMN O=[N+]([O-])c1ccc(NCc2nc3ccc(Cl)cc3[nH]2)cn1 ZINC000609802473 400193179 /nfs/dbraw/zinc/19/31/79/400193179.db2.gz XGTRNXSOSYBLMP-UHFFFAOYSA-N 0 1 303.709 3.132 10 5 DGBEMN O=C([O-])[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC12CCCCC2 ZINC000008698623 431406645 /nfs/dbraw/zinc/40/66/45/431406645.db2.gz XMYBPLKJINZODR-HNNXBMFYSA-N 0 1 318.373 3.062 10 5 DGBEMN C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248170120 432275065 /nfs/dbraw/zinc/27/50/65/432275065.db2.gz UPDIYJGJABLBEB-UKPHBRMFSA-N 0 1 304.390 3.283 10 5 DGBEMN C[C@@H]1CC[C@@H](C)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000174475326 432351054 /nfs/dbraw/zinc/35/10/54/432351054.db2.gz YQWSRZAAPDRBCY-VXGBXAGGSA-N 0 1 306.362 3.082 10 5 DGBEMN Cc1ccc([C@@H](C)CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000506487985 294271461 /nfs/dbraw/zinc/27/14/61/294271461.db2.gz QFUZWCGPGBFUKD-LBPRGKRZSA-N 0 1 314.341 3.142 10 5 DGBEMN COCCC1(C)CN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000459633784 434643057 /nfs/dbraw/zinc/64/30/57/434643057.db2.gz LUTZUBNJRGPORX-NTEUORMPSA-N 0 1 304.390 3.357 10 5 DGBEMN Cc1ccnc(C2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000371835409 434757290 /nfs/dbraw/zinc/75/72/90/434757290.db2.gz SLGXGVZTMAFJDH-UHFFFAOYSA-N 0 1 312.373 3.073 10 5 DGBEMN CCCN1CCC[C@@H]1c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000443102369 528225615 /nfs/dbraw/zinc/22/56/15/528225615.db2.gz OOYCZPMVMKBREZ-CYBMUJFWSA-N 0 1 302.334 3.192 10 5 DGBEMN Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000263536099 658270900 /nfs/dbraw/zinc/27/09/00/658270900.db2.gz ZHCUVWZZLDAPHX-KCXAZCMYSA-N 0 1 318.373 3.121 10 5 DGBEMN C[C@H](CNc1ncc(Cl)cc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000434950190 238258595 /nfs/dbraw/zinc/25/85/95/238258595.db2.gz GZQWPPMEEBPVJU-WDEREUQCSA-N 0 1 312.801 3.318 10 5 DGBEMN Cc1[nH]nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3C)ccc12 ZINC000091824840 193113103 /nfs/dbraw/zinc/11/31/03/193113103.db2.gz WTVGJBJTSWKWKF-UHFFFAOYSA-N 0 1 310.313 3.340 10 5 DGBEMN Cc1[nH]nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3C)ccc12 ZINC000091834770 193115661 /nfs/dbraw/zinc/11/56/61/193115661.db2.gz YANGQMYCEVZGTC-UHFFFAOYSA-N 0 1 310.313 3.340 10 5 DGBEMN Cc1nc([C@@H](Nc2ccccc2[N+](=O)[O-])c2ccccc2)n[nH]1 ZINC000057840304 401032083 /nfs/dbraw/zinc/03/20/83/401032083.db2.gz OGWWBPWTZQUWOQ-HNNXBMFYSA-N 0 1 309.329 3.223 10 5 DGBEMN CC(C)C[C@H](CO)N(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000185332309 165001029 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CC[C@@H](NCC(=O)N(C(C)C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181560820 199317519 /nfs/dbraw/zinc/31/75/19/199317519.db2.gz CUMNNIZJVQVKPU-MRXNPFEDSA-N 0 1 321.421 3.281 10 5 DGBEMN O=[N+]([O-])c1ccc(OCCN2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000065208702 432011067 /nfs/dbraw/zinc/01/10/67/432011067.db2.gz QIGSDRDTOCHIRP-NSHDSACASA-N 0 1 318.295 3.248 10 5 DGBEMN CCCn1cc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000080347393 192150840 /nfs/dbraw/zinc/15/08/40/192150840.db2.gz UWWNMHDIDLDWPW-UHFFFAOYSA-N 0 1 302.378 3.226 10 5 DGBEMN COc1ccc(-c2n[nH]c(-c3cccs3)n2)cc1[N+](=O)[O-] ZINC000072237736 191080919 /nfs/dbraw/zinc/08/09/19/191080919.db2.gz NRCLOVNBMGRZAK-UHFFFAOYSA-N 0 1 302.315 3.117 10 5 DGBEMN COc1ccc(-c2nc(-c3cccc(C)c3)n[nH]2)cc1[N+](=O)[O-] ZINC000072237732 191080114 /nfs/dbraw/zinc/08/01/14/191080114.db2.gz BSGKOZCEMZQLPJ-UHFFFAOYSA-N 0 1 310.313 3.364 10 5 DGBEMN COc1ccc(-c2n[nH]c(-c3cccc(C)c3)n2)cc1[N+](=O)[O-] ZINC000072237732 191080115 /nfs/dbraw/zinc/08/01/15/191080115.db2.gz BSGKOZCEMZQLPJ-UHFFFAOYSA-N 0 1 310.313 3.364 10 5 DGBEMN C[C@@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)(C)C ZINC000074316898 400504145 /nfs/dbraw/zinc/50/41/45/400504145.db2.gz ZQFQGBYPFPFQNC-SNVBAGLBSA-N 0 1 304.350 3.169 10 5 DGBEMN C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccs1 ZINC000044653057 431875825 /nfs/dbraw/zinc/87/58/25/431875825.db2.gz DIQKQSDLNYZRDS-MRVPVSSYSA-N 0 1 316.342 3.024 10 5 DGBEMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](Oc2cccnc2)C1 ZINC000152503688 432337141 /nfs/dbraw/zinc/33/71/41/432337141.db2.gz UBEBNUSDLHJSBW-GUYCJALGSA-N 0 1 313.357 3.204 10 5 DGBEMN CCc1ccc([C@H]2CCCCN2CCn2cc([N+](=O)[O-])cn2)o1 ZINC000174874107 432375644 /nfs/dbraw/zinc/37/56/44/432375644.db2.gz BEQXODAWOYAHQL-OAHLLOKOSA-N 0 1 318.377 3.174 10 5 DGBEMN C[C@@H]1CC[C@](CO)(N(C)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000187952820 432695750 /nfs/dbraw/zinc/69/57/50/432695750.db2.gz UORSZWWMUBSBOP-ABAIWWIYSA-N 0 1 312.797 3.231 10 5 DGBEMN 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Cc1ccc(CN2CC[C@@H](C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000179960678 323218486 /nfs/dbraw/zinc/21/84/86/323218486.db2.gz JSWXYUOGPRYXCQ-CQSZACIVSA-N 0 1 320.389 3.067 10 5 DGBEMN CCCN1CCC[C@H]1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000443085035 528237510 /nfs/dbraw/zinc/23/75/10/528237510.db2.gz IULALXCVZODVRH-ZDUSSCGKSA-N 0 1 302.334 3.192 10 5 DGBEMN Cc1ccc(-c2nc(COc3ccccc3[N+](=O)[O-])n[nH]2)cc1 ZINC000072237537 191080419 /nfs/dbraw/zinc/08/04/19/191080419.db2.gz KKPQWSBVINQBJS-UHFFFAOYSA-N 0 1 310.313 3.267 10 5 DGBEMN O=[N+]([O-])c1cccc([C@@H](N[C@H]2CCCOC2)c2ccccc2)c1 ZINC000180491733 432088405 /nfs/dbraw/zinc/08/84/05/432088405.db2.gz HYOVXNRTUUWKPP-WMZOPIPTSA-N 0 1 312.369 3.453 10 5 DGBEMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000135123282 432100542 /nfs/dbraw/zinc/10/05/42/432100542.db2.gz BSJHEKPJNUHXRK-JTQLQIEISA-N 0 1 316.361 3.106 10 5 DGBEMN C[C@@H]1[C@@H](C(F)(F)F)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000470954855 244198376 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CC[C@@H](NCC(=O)Nc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000177909755 432672839 /nfs/dbraw/zinc/67/28/39/432672839.db2.gz OQUMPXKYCPRTHM-MRXNPFEDSA-N 0 1 313.357 3.274 10 5 DGBEMN CCCCCNC(=O)[C@H](C)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000178670257 432764647 /nfs/dbraw/zinc/76/46/47/432764647.db2.gz JBHISWFRMRXDPA-XJKSGUPXSA-N 0 1 321.421 3.330 10 5 DGBEMN Cc1c(CN2CC[C@H](C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000178523310 432746267 /nfs/dbraw/zinc/74/62/67/432746267.db2.gz PDYVCPNPVQAPOP-AWEZNQCLSA-N 0 1 320.389 3.067 10 5 DGBEMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC2(C1)CCCOC2 ZINC000459613380 434633186 /nfs/dbraw/zinc/63/31/86/434633186.db2.gz WXITTWWBKKHIBT-ZSOIEALJSA-N 0 1 302.374 3.111 10 5 DGBEMN CC[C@H](NCc1cccnc1N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000154770623 522660094 /nfs/dbraw/zinc/66/00/94/522660094.db2.gz BZWFMFZRWZSQAY-INIZCTEOSA-N 0 1 314.389 3.297 10 5 DGBEMN Cc1cc(C)cc([C@@H](O)CN(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000174724955 659540588 /nfs/dbraw/zinc/54/05/88/659540588.db2.gz LUFVAGYZVLTLJZ-SFHVURJKSA-N 0 1 314.385 3.377 10 5 DGBEMN CC[C@H](N[C@H](C)C(=O)NC(C)(C)CC)c1cccc([N+](=O)[O-])c1 ZINC000090068747 185280556 /nfs/dbraw/zinc/28/05/56/185280556.db2.gz YBCNHMMIGZGTAL-DOMZBBRYSA-N 0 1 321.421 3.329 10 5 DGBEMN O=[N+]([O-])c1c(Nc2ccccc2)ncnc1Nc1ccncc1 ZINC000040586383 183106269 /nfs/dbraw/zinc/10/62/69/183106269.db2.gz QQHGLWRIJFZFJE-UHFFFAOYSA-N 0 1 308.301 3.267 10 5 DGBEMN Cc1cc([N+](=O)[O-])cnc1Sc1nc(-c2cccs2)n[nH]1 ZINC000092584096 400183621 /nfs/dbraw/zinc/18/36/21/400183621.db2.gz MYLIVWCFQLQCGB-UHFFFAOYSA-N 0 1 319.371 3.296 10 5 DGBEMN CCCCCNC(=O)[C@@H](C)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000090068487 401253235 /nfs/dbraw/zinc/25/32/35/401253235.db2.gz JBHISWFRMRXDPA-CJNGLKHVSA-N 0 1 321.421 3.330 10 5 DGBEMN C[C@@H](NCc1ccc(CO)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178566363 164842640 /nfs/dbraw/zinc/84/26/40/164842640.db2.gz JTUCRYWDIDJCAC-LLVKDONJSA-N 0 1 304.321 3.077 10 5 DGBEMN CCCNC(=O)c1cccc2nc(-c3ccccc3[N+](=O)[O-])[nH]c21 ZINC000089195144 431860964 /nfs/dbraw/zinc/86/09/64/431860964.db2.gz CXLPWNLWKSJWQG-UHFFFAOYSA-N 0 1 324.340 3.278 10 5 DGBEMN O=[N+]([O-])c1ccccc1CN(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000245868491 432865957 /nfs/dbraw/zinc/86/59/57/432865957.db2.gz LSCRTQTYMICRCO-LSDHHAIUSA-N 0 1 322.430 3.081 10 5 DGBEMN CO[C@@H]1CN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)CC[C@H]1C ZINC000302554816 433826020 /nfs/dbraw/zinc/82/60/20/433826020.db2.gz KYAMPRRVWOCWSG-PIGZYNQJSA-N 0 1 315.373 3.313 10 5 DGBEMN O=[N+]([O-])c1ccc(F)cc1CN1CCC(C2CCOCC2)CC1 ZINC000372726914 434849817 /nfs/dbraw/zinc/84/98/17/434849817.db2.gz MZIXBPWPYYDLSI-UHFFFAOYSA-N 0 1 322.380 3.373 10 5 DGBEMN C[C@@H](NCc1ccc(CO)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000173347310 186178824 /nfs/dbraw/zinc/17/88/24/186178824.db2.gz FPFVYTAGOHRMKE-LLVKDONJSA-N 0 1 304.321 3.077 10 5 DGBEMN Cc1cccc(NC[C@H]2CCN(c3ccccc3[N+](=O)[O-])C2)n1 ZINC000171365654 432127805 /nfs/dbraw/zinc/12/78/05/432127805.db2.gz OMLSYDHWACLDKB-CQSZACIVSA-N 0 1 312.373 3.237 10 5 DGBEMN Cc1cccc(Nc2ncnc(NC(C)(C)C)c2[N+](=O)[O-])n1 ZINC000040581471 183105105 /nfs/dbraw/zinc/10/51/05/183105105.db2.gz DIUMUCINVFJXCU-UHFFFAOYSA-N 0 1 302.338 3.042 10 5 DGBEMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000093665702 400251784 /nfs/dbraw/zinc/25/17/84/400251784.db2.gz VYYWEOXRBGBXMG-MRXNPFEDSA-N 0 1 320.389 3.224 10 5 DGBEMN O=[N+]([O-])c1cccc(OCCN2CCC[C@H](C(F)(F)F)C2)c1 ZINC000058562960 401060295 /nfs/dbraw/zinc/06/02/95/401060295.db2.gz FJQJFHURKRISRL-NSHDSACASA-N 0 1 318.295 3.248 10 5 DGBEMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@H](C)c1nccn1C ZINC000594997167 401224046 /nfs/dbraw/zinc/22/40/46/401224046.db2.gz YWDSTQFVNYALSU-CNELAYHGSA-N 0 1 300.362 3.082 10 5 DGBEMN CCCCCNC(=O)[C@H](C)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000090068488 401253503 /nfs/dbraw/zinc/25/35/03/401253503.db2.gz JBHISWFRMRXDPA-BBRMVZONSA-N 0 1 321.421 3.330 10 5 DGBEMN CC(C)c1[nH]nc(C(=O)N2CC[C@]3(CC[C@H](C)C3)C2)c1[N+](=O)[O-] ZINC000408173676 278001071 /nfs/dbraw/zinc/00/10/71/278001071.db2.gz MNRCNVYKIWHCEH-ZBEGNZNMSA-N 0 1 320.393 3.094 10 5 DGBEMN COC(=O)[C@@H]1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000249068206 432335600 /nfs/dbraw/zinc/33/56/00/432335600.db2.gz KLLYXFDKUNKETO-UMVBOHGHSA-N 0 1 320.389 3.095 10 5 DGBEMN CC[C@H](N[C@H](C)C(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000178099267 432694326 /nfs/dbraw/zinc/69/43/26/432694326.db2.gz NIPFPMHCAJHTOH-WBMJQRKESA-N 0 1 319.405 3.083 10 5 DGBEMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)C[C@@H]1CC=CCC1 ZINC000544106727 314174052 /nfs/dbraw/zinc/17/40/52/314174052.db2.gz YLTKHJJKZYSJSB-CQSZACIVSA-N 0 1 317.389 3.130 10 5 DGBEMN Cc1c([C@@H](C)NCc2cccnc2N(C)C)cccc1[N+](=O)[O-] ZINC000154763714 525899778 /nfs/dbraw/zinc/89/97/78/525899778.db2.gz UGJGBSPQHLIINJ-CYBMUJFWSA-N 0 1 314.389 3.215 10 5 DGBEMN O=[N+]([O-])c1ccc(NC[C@@H]2CCN2Cc2ccccc2)c(F)c1 ZINC000715648399 1090669805 /nfs/dbraw/zinc/66/98/05/1090669805.db2.gz MOYMORRTXIHLNR-HNNXBMFYSA-N 0 1 315.348 3.420 10 5 DGBEMN Cc1ccc(CN2CCC(c3ccnn3C)CC2)cc1[N+](=O)[O-] ZINC000092810353 185342743 /nfs/dbraw/zinc/34/27/43/185342743.db2.gz JXHOBMYUIZJZRW-UHFFFAOYSA-N 0 1 314.389 3.016 10 5 DGBEMN Cc1[nH]nc2cc(NC(=O)c3ccc([N+](=O)[O-])s3)ccc12 ZINC000180321691 432083229 /nfs/dbraw/zinc/08/32/29/432083229.db2.gz LUDVRILRVDPHCM-UHFFFAOYSA-N 0 1 302.315 3.093 10 5 DGBEMN Cc1[nH]nc2cc(NC(=O)c3cc([N+](=O)[O-])c(C)s3)ccc12 ZINC000091825893 193113604 /nfs/dbraw/zinc/11/36/04/193113604.db2.gz UAYWEGKYMQWVHV-UHFFFAOYSA-N 0 1 316.342 3.402 10 5 DGBEMN O=[N+]([O-])c1c(Nc2ccncc2)ncnc1NC1CCCCC1 ZINC000040586299 183105549 /nfs/dbraw/zinc/10/55/49/183105549.db2.gz FXZHZGCJYUDTLB-UHFFFAOYSA-N 0 1 314.349 3.268 10 5 DGBEMN C[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)C ZINC000072632940 400394293 /nfs/dbraw/zinc/39/42/93/400394293.db2.gz MHHPGWTWMADWSI-SNVBAGLBSA-N 0 1 304.350 3.169 10 5 DGBEMN CC(=O)c1ccc(NCCN2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000079914510 400905786 /nfs/dbraw/zinc/90/57/86/400905786.db2.gz WWNAJLOCNHSEST-LBPRGKRZSA-N 0 1 305.378 3.084 10 5 DGBEMN Cc1cnn([C@H]2CCCN(Cc3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000123009421 431851406 /nfs/dbraw/zinc/85/14/06/431851406.db2.gz VJRXAYVIRFNYEH-INIZCTEOSA-N 0 1 314.389 3.245 10 5 DGBEMN C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccs1 ZINC000044653055 431876461 /nfs/dbraw/zinc/87/64/61/431876461.db2.gz DIQKQSDLNYZRDS-QMMMGPOBSA-N 0 1 316.342 3.024 10 5 DGBEMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1cccs1 ZINC000192870379 432424048 /nfs/dbraw/zinc/42/40/48/432424048.db2.gz XTUBZZFDSGTMJS-LLVKDONJSA-N 0 1 319.386 3.254 10 5 DGBEMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C)c1cccs1 ZINC000192870256 432424307 /nfs/dbraw/zinc/42/43/07/432424307.db2.gz JFCDTPKUQLBYAH-NSHDSACASA-N 0 1 319.386 3.254 10 5 DGBEMN O=[N+]([O-])c1ccc(OCCN2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000195194987 432610697 /nfs/dbraw/zinc/61/06/97/432610697.db2.gz QIGSDRDTOCHIRP-LLVKDONJSA-N 0 1 318.295 3.248 10 5 DGBEMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CCCc2nn(C)cc21 ZINC000560943252 314949352 /nfs/dbraw/zinc/94/93/52/314949352.db2.gz DWCJIYPNMIMLKX-WBMJQRKESA-N 0 1 314.389 3.365 10 5 DGBEMN O=[N+]([O-])c1cccc(CN2CCC[C@@H](c3nccs3)C2)c1 ZINC000156989049 527385940 /nfs/dbraw/zinc/38/59/40/527385940.db2.gz BBVVEZOZAJGWCR-CYBMUJFWSA-N 0 1 303.387 3.431 10 5 DGBEMN CC[C@@H](NCC(=O)N1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000181525446 432134547 /nfs/dbraw/zinc/13/45/47/432134547.db2.gz VCRCNZIQRQOMTR-MRXNPFEDSA-N 0 1 319.405 3.038 10 5 DGBEMN CC[C@H](NCC(=O)NCCC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181533704 432134788 /nfs/dbraw/zinc/13/47/88/432134788.db2.gz MTYJLMJEBRGGHW-HNNXBMFYSA-N 0 1 321.421 3.188 10 5 DGBEMN Cc1cccc(NC(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000137354715 284518221 /nfs/dbraw/zinc/51/82/21/284518221.db2.gz PTBSCCLBNVSHFH-ZDUSSCGKSA-N 0 1 313.357 3.193 10 5 DGBEMN O=[N+]([O-])c1cnc2c(c1)CN(C[C@@H]1CCCCC1(F)F)CC2 ZINC000408456611 285184062 /nfs/dbraw/zinc/18/40/62/285184062.db2.gz JVZJTTVMBUJKQR-LBPRGKRZSA-N 0 1 311.332 3.173 10 5 DGBEMN COc1cnccc1[C@H](C)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000438468850 533150665 /nfs/dbraw/zinc/15/06/65/533150665.db2.gz YKLXSMKLDPILFJ-VGVVRCBHSA-N 0 1 313.357 3.362 10 5 DGBEMN Cc1ccc(CN2CCC(Cn3cccn3)CC2)cc1[N+](=O)[O-] ZINC000122069512 195397514 /nfs/dbraw/zinc/39/75/14/195397514.db2.gz KAKWFGKHLPAMAK-UHFFFAOYSA-N 0 1 314.389 3.012 10 5 DGBEMN Cc1nc([C@H](Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)n[nH]1 ZINC000091479465 400122595 /nfs/dbraw/zinc/12/25/95/400122595.db2.gz WEXDJNBNIJLNNN-OAHLLOKOSA-N 0 1 309.329 3.223 10 5 DGBEMN Cc1cc(N2CCOCC3(CC3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000611931126 400465556 /nfs/dbraw/zinc/46/55/56/400465556.db2.gz URBHJXNNGCHMLD-UHFFFAOYSA-N 0 1 313.357 3.068 10 5 DGBEMN Cn1cc([C@H]2CCCN2C/C=C\c2ccccc2[N+](=O)[O-])cn1 ZINC000255324332 401103770 /nfs/dbraw/zinc/10/37/70/401103770.db2.gz DNOXMRDQTXQDOC-HQQUCIOCSA-N 0 1 312.373 3.179 10 5 DGBEMN CCC(CC)NC(=O)[C@@H](C)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000090068803 401253514 /nfs/dbraw/zinc/25/35/14/401253514.db2.gz SJHLZOSWKCSODU-WBMJQRKESA-N 0 1 321.421 3.329 10 5 DGBEMN O=[N+]([O-])c1cccc([C@@H](O)CN2CC=C(c3ccccc3)CC2)c1 ZINC000136808548 432163983 /nfs/dbraw/zinc/16/39/83/432163983.db2.gz XCSVOJZMWHHYAH-IBGZPJMESA-N 0 1 324.380 3.418 10 5 DGBEMN CC(C)c1[nH]nc(C(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)c1[N+](=O)[O-] ZINC000408173674 276041059 /nfs/dbraw/zinc/04/10/59/276041059.db2.gz MNRCNVYKIWHCEH-MEDUHNTESA-N 0 1 320.393 3.094 10 5 DGBEMN O=[N+]([O-])c1ccccc1OCCN1CCC[C@H]1c1ccco1 ZINC000116294892 431500594 /nfs/dbraw/zinc/50/05/94/431500594.db2.gz ZMXXBASOFJQVMJ-ZDUSSCGKSA-N 0 1 302.330 3.404 10 5 DGBEMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000192678804 432399542 /nfs/dbraw/zinc/39/95/42/432399542.db2.gz WEPKCJBLQKSLQO-MNOVXSKESA-N 0 1 319.386 3.334 10 5 DGBEMN C[C@@H](N[C@H](C)c1cccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000192678827 432399695 /nfs/dbraw/zinc/39/96/95/432399695.db2.gz WEPKCJBLQKSLQO-GHMZBOCLSA-N 0 1 319.386 3.334 10 5 DGBEMN CCC(CC)NC(=O)[C@H](C)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000178670519 432764867 /nfs/dbraw/zinc/76/48/67/432764867.db2.gz SJHLZOSWKCSODU-BLLLJJGKSA-N 0 1 321.421 3.329 10 5 DGBEMN CC[C@H](NCc1cccc(OC)n1)c1cccc([N+](=O)[O-])c1 ZINC000178755273 432775358 /nfs/dbraw/zinc/77/53/58/432775358.db2.gz HNFDRRSNPPYRMR-HNNXBMFYSA-N 0 1 301.346 3.239 10 5 DGBEMN O=[N+]([O-])c1c(F)cccc1NCCc1nc2ccc(F)cc2[nH]1 ZINC000301718510 433689140 /nfs/dbraw/zinc/68/91/40/433689140.db2.gz LLGUOCPBDWUYDX-UHFFFAOYSA-N 0 1 318.283 3.404 10 5 DGBEMN CC(C)C[C@@H](CO)N(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000185343689 323388395 /nfs/dbraw/zinc/38/83/95/323388395.db2.gz PVZABFCUWUFMIP-ZDUSSCGKSA-N 0 1 300.786 3.087 10 5 DGBEMN CCC(CC)(NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000110596871 1094988915 /nfs/dbraw/zinc/98/89/15/1094988915.db2.gz JWLCTXYAKLKSKT-CHWSQXEVSA-N 0 1 310.781 3.137 10 5 DGBEMN CC1(C)CCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000171067128 432100131 /nfs/dbraw/zinc/10/01/31/432100131.db2.gz 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