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)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000090068681 185280660 /nfs/dbraw/zinc/28/06/60/185280660.db2.gz JYUGMOLATXFDHE-ZENOOKHLSA-N 1 0 321.421 3.329 10 5 DGBERO CC[C@H]([NH2+][C@H]1CCCN(C(C)C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000090068520 185280681 /nfs/dbraw/zinc/28/06/81/185280681.db2.gz MJOKVWQTGLQPRJ-HOTGVXAUSA-N 1 0 319.405 3.035 10 5 DGBERO C[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]1c1cccc(F)c1 ZINC000246287805 432117325 /nfs/dbraw/zinc/11/73/25/432117325.db2.gz XOHXFHQNNPHPAQ-BLLLJJGKSA-N 1 0 318.352 3.014 10 5 DGBERO COc1ccccc1/C=C/C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000105448203 284040319 /nfs/dbraw/zinc/04/03/19/284040319.db2.gz ZYJQCKPRDBKYCK-GQCTYLIASA-N 1 0 312.369 3.449 10 5 DGBERO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000470942586 244197320 /nfs/dbraw/zinc/19/73/20/244197320.db2.gz CRYJEJYHQFVUMX-MFKMUULPSA-N 1 0 318.295 3.246 10 5 DGBERO CC(C)[N@@H+]1CC[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000264944205 204291366 /nfs/dbraw/zinc/29/13/66/204291366.db2.gz SVFHILOJBOGVGM-LBPRGKRZSA-N 1 0 300.362 3.038 10 5 DGBERO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@@H]2CCOC2)c2ccccc2)c1 ZINC000490156776 245383928 /nfs/dbraw/zinc/38/39/28/245383928.db2.gz KIBFBDJDVDTQIV-KSSFIOAISA-N 1 0 312.369 3.310 10 5 DGBERO C[C@@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=[NH+]CCN1 ZINC000013585593 181865924 /nfs/dbraw/zinc/86/59/24/181865924.db2.gz NMSAVNXFCXMJJY-GFCCVEGCSA-N 1 0 311.341 3.031 10 5 DGBERO C[C@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])c3cnccc32)CC[N@@H+]1C ZINC000266239359 205208139 /nfs/dbraw/zinc/20/81/39/205208139.db2.gz KYHZLIAIZDVQSD-STQMWFEESA-N 1 0 314.389 3.062 10 5 DGBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1O ZINC000130179736 284435309 /nfs/dbraw/zinc/43/53/09/284435309.db2.gz ZYUYFSZWTZBVFS-SCNOPHJPSA-N 1 0 318.417 3.199 10 5 DGBERO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000269055366 207205336 /nfs/dbraw/zinc/20/53/36/207205336.db2.gz SCHBZGAQHGMPPT-CPUCHLNUSA-N 1 0 304.390 3.283 10 5 DGBERO O=[N+]([O-])c1ccc(F)cc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000302823829 285118009 /nfs/dbraw/zinc/11/80/09/285118009.db2.gz VORQDAKDIKQFDM-UHFFFAOYSA-N 1 0 307.369 3.046 10 5 DGBERO CC[C@H]([NH2+]C1CCC(NC(C)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000155235103 197034617 /nfs/dbraw/zinc/03/46/17/197034617.db2.gz AJNINOXDINIGGK-DQPZFDDXSA-N 1 0 319.405 3.083 10 5 DGBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3(CO)CC3)o2)c(Cl)c1 ZINC000120380189 195154941 /nfs/dbraw/zinc/15/49/41/195154941.db2.gz XGICOORYPHUHAF-UHFFFAOYSA-N 1 0 322.748 3.123 10 5 DGBERO CC(C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000069000796 400303817 /nfs/dbraw/zinc/30/38/17/400303817.db2.gz JRSVIRKDNCHYLW-GFCCVEGCSA-N 1 0 300.362 3.038 10 5 DGBERO Cc1cc(C)c([N+](=O)[O-])c(N2CCC(CCC[NH+](C)C)CC2)n1 ZINC000611617349 400429312 /nfs/dbraw/zinc/42/93/12/400429312.db2.gz HJESHWSPIDKHHP-UHFFFAOYSA-N 1 0 320.437 3.165 10 5 DGBERO Cc1cc(NC[C@H](C)c2ccncc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611930127 400464238 /nfs/dbraw/zinc/46/42/38/400464238.db2.gz VRMXXIBGRBZHPJ-LBPRGKRZSA-N 1 0 322.368 3.484 10 5 DGBERO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H]2C[NH+]2CCCCC2)n1 ZINC000614517858 400910533 /nfs/dbraw/zinc/91/05/33/400910533.db2.gz CEAHPDCSLJCGLI-HNNXBMFYSA-N 1 0 318.421 3.061 10 5 DGBERO C[C@H]([NH2+][C@@H](C)C1CCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000172169390 432199997 /nfs/dbraw/zinc/19/99/97/432199997.db2.gz WRTYCKDIIKGEDM-RYUDHWBXSA-N 1 0 305.378 3.090 10 5 DGBERO C[C@@H]([NH2+][C@@H](C)C1CCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000172170453 432201800 /nfs/dbraw/zinc/20/18/00/432201800.db2.gz IVIAYVPJVGRVIU-NWDGAFQWSA-N 1 0 305.378 3.090 10 5 DGBERO Cc1nccn1C[C@H]1CCC[N@H+]1[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000247193049 432211937 /nfs/dbraw/zinc/21/19/37/432211937.db2.gz WQJBPLXMJGRTAZ-CXAGYDPISA-N 1 0 314.389 3.325 10 5 DGBERO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247962769 432257013 /nfs/dbraw/zinc/25/70/13/432257013.db2.gz GKGWBQGWMJORQE-UNEWFSDZSA-N 1 0 303.406 3.072 10 5 DGBERO C[C@@H]([NH2+][C@H](C)C1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000172171017 274260116 /nfs/dbraw/zinc/26/01/16/274260116.db2.gz WRAPGLYGJQSBON-VXGBXAGGSA-N 1 0 305.378 3.090 10 5 DGBERO C[C@@H]1CCC[N@@H+]1C1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000154963537 274292786 /nfs/dbraw/zinc/29/27/86/274292786.db2.gz VONPKIIVCPWDID-LLVKDONJSA-N 1 0 324.812 3.096 10 5 DGBERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000175330517 276183245 /nfs/dbraw/zinc/18/32/45/276183245.db2.gz WUFRNBNPZCRTOR-AWEZNQCLSA-N 1 0 311.813 3.164 10 5 DGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248170119 278310694 /nfs/dbraw/zinc/31/06/94/278310694.db2.gz UPDIYJGJABLBEB-KMFMINBZSA-N 1 0 304.390 3.283 10 5 DGBERO C[C@@H]1CC[C@H](C)[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000072897664 431356360 /nfs/dbraw/zinc/35/63/60/431356360.db2.gz XIAASLOYXKCVSU-NEPJUHHUSA-N 1 0 316.361 3.265 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000074331061 431413360 /nfs/dbraw/zinc/41/33/60/431413360.db2.gz RHKPZUTUQFOJII-UHFFFAOYSA-N 1 0 321.421 3.142 10 5 DGBERO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000076149901 431532322 /nfs/dbraw/zinc/53/23/22/431532322.db2.gz ROHCFTSXYNVCFH-NWDGAFQWSA-N 1 0 316.361 3.265 10 5 DGBERO CC1(C)CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000077383046 431592344 /nfs/dbraw/zinc/59/23/44/431592344.db2.gz WNJKXIQVBGGERX-UHFFFAOYSA-N 1 0 302.334 3.019 10 5 DGBERO CC[C@H]([NH2+][C@@H]1CN(C(C)C)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000090918471 431897365 /nfs/dbraw/zinc/89/73/65/431897365.db2.gz NHSLSPWJJUZHFI-RRQGHBQHSA-N 1 0 305.422 3.364 10 5 DGBERO C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H]1CCCO1 ZINC000128065523 431987408 /nfs/dbraw/zinc/98/74/08/431987408.db2.gz DDMOPZAHKQCAPB-OAHLLOKOSA-N 1 0 316.357 3.466 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000183558478 432303481 /nfs/dbraw/zinc/30/34/81/432303481.db2.gz QZADEKVAENMGOL-OAHLLOKOSA-N 1 0 304.390 3.485 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000183558499 432303590 /nfs/dbraw/zinc/30/35/90/432303590.db2.gz QZADEKVAENMGOL-HNNXBMFYSA-N 1 0 304.390 3.485 10 5 DGBERO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c(Cl)c1 ZINC000248023411 432262246 /nfs/dbraw/zinc/26/22/46/432262246.db2.gz OERRFIXYULUQPN-BBRMVZONSA-N 1 0 324.808 3.375 10 5 DGBERO CC[C@H]([NH2+][C@H]1Cc2ccccc2[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000178360377 432725019 /nfs/dbraw/zinc/72/50/19/432725019.db2.gz OKJYLEMKMRPUHJ-BZSNNMDCSA-N 1 0 312.369 3.294 10 5 DGBERO C[C@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])c3cnccc32)CC[N@@H+]1C ZINC000266239357 432756444 /nfs/dbraw/zinc/75/64/44/432756444.db2.gz KYHZLIAIZDVQSD-QWHCGFSZSA-N 1 0 314.389 3.062 10 5 DGBERO O=C(C[N@@H+]1CCC[C@@H]2CCCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000245965430 432873523 /nfs/dbraw/zinc/87/35/23/432873523.db2.gz YXRYJSJXYABHKA-DZGCQCFKSA-N 1 0 317.389 3.188 10 5 DGBERO C[NH+](C)Cc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1F ZINC000301278034 433486677 /nfs/dbraw/zinc/48/66/77/433486677.db2.gz JILLVQRLDOCCOA-UHFFFAOYSA-N 1 0 303.337 3.408 10 5 DGBERO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)n1 ZINC000408172480 434547094 /nfs/dbraw/zinc/54/70/94/434547094.db2.gz WWUXAULGORQIPP-CABCVRRESA-N 1 0 318.421 3.058 10 5 DGBERO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCOCC1CCC1 ZINC000574096472 434949656 /nfs/dbraw/zinc/94/96/56/434949656.db2.gz NZWLHHSHOSFUDM-AWEZNQCLSA-N 1 0 306.406 3.322 10 5 DGBERO CC[NH+](CC)CC1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000462789497 434929104 /nfs/dbraw/zinc/92/91/04/434929104.db2.gz IVOJVOXSWOBLLS-UHFFFAOYSA-N 1 0 321.421 3.162 10 5 DGBERO COC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000531096487 435070405 /nfs/dbraw/zinc/07/04/05/435070405.db2.gz RXLYSCYNARJICZ-KRWDZBQOSA-N 1 0 314.385 3.251 10 5 DGBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)[C@H](C)OC ZINC000467390234 435119576 /nfs/dbraw/zinc/11/95/76/435119576.db2.gz UZLGQWYDJLRIHN-RWMBFGLXSA-N 1 0 312.435 3.479 10 5 DGBERO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)[nH]n1 ZINC000537962985 435474522 /nfs/dbraw/zinc/47/45/22/435474522.db2.gz TUHWNLGYGVSSED-YPMHNXCESA-N 1 0 302.378 3.217 10 5 DGBERO C[C@@H](CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000491053593 435698375 /nfs/dbraw/zinc/69/83/75/435698375.db2.gz OITPCFMKZYJOLU-KBXCAEBGSA-N 1 0 313.401 3.224 10 5 DGBERO CC[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000185086265 323380569 /nfs/dbraw/zinc/38/05/69/323380569.db2.gz LBJLTBVOXFQCCK-NSHDSACASA-N 1 0 307.375 3.171 10 5 DGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000583097228 324313287 /nfs/dbraw/zinc/31/32/87/324313287.db2.gz XZJMNILVHKMEPU-OIOXUXFSSA-N 1 0 312.316 3.312 10 5 DGBERO CC(C)C[N@@H+]1CCCC[C@H]1CNc1cc(CO)ccc1[N+](=O)[O-] ZINC000302069761 527970780 /nfs/dbraw/zinc/97/07/80/527970780.db2.gz VKPPWMHKLUHLDJ-HNNXBMFYSA-N 1 0 321.421 3.010 10 5 DGBERO CC1CC[NH+](C2CCC(Nc3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000443722083 528228404 /nfs/dbraw/zinc/22/84/04/528228404.db2.gz WNZBNKDGLGHKJQ-UHFFFAOYSA-N 1 0 318.421 3.445 10 5 DGBERO C[NH2+]CC1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000234354497 655723052 /nfs/dbraw/zinc/72/30/52/655723052.db2.gz BFQVCYJCKUOSOC-UHFFFAOYSA-N 1 0 318.204 3.337 10 5 DGBERO C[C@H]1C[C@H](C[NH3+])CN1c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000235697419 655923467 /nfs/dbraw/zinc/92/34/67/655923467.db2.gz VAFYKFMPUWJFAX-JGVFFNPUSA-N 1 0 304.177 3.075 10 5 DGBERO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(C(C)(C)C)cc1 ZINC000182607804 660066966 /nfs/dbraw/zinc/06/69/66/660066966.db2.gz MIAVKAGJAWNVJC-ZDUSSCGKSA-N 1 0 316.405 3.440 10 5 DGBERO CCOC[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000233777740 1202602896 /nfs/dbraw/zinc/60/28/96/1202602896.db2.gz ISSBRVMRYJZDDE-ZDUSSCGKSA-N 1 0 300.786 3.399 10 5 DGBERO CC[C@H](C)C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162170815 1203351940 /nfs/dbraw/zinc/35/19/40/1203351940.db2.gz XNNXAOJEWXTZCY-VIFPVBQESA-N 1 0 301.184 3.493 10 5 DGBERO C[N+]1(C/C=C/c2ccccc2)CCN(C(=O)c2ccccc2)CC1 ZINC000004109898 717097802 /nfs/dbraw/zinc/09/78/02/717097802.db2.gz DOANVELLCOCWEZ-DHZHZOJOSA-N 1 0 321.444 3.302 10 5 DGBERO O=[N+]([O-])c1cc(CN2CCCC[C@@H]([NH+]3CCCC3)C2)cs1 ZINC000107697512 432036446 /nfs/dbraw/zinc/03/64/46/432036446.db2.gz XGCFFOKRCZKQMG-CQSZACIVSA-N 1 0 309.435 3.107 10 5 DGBERO CCSc1nc2ccccc2c(NCC[N+](C)(C)CC)n1 ZINC000005337583 181230849 /nfs/dbraw/zinc/23/08/49/181230849.db2.gz CCJKWRDSCRHXNN-UHFFFAOYSA-N 1 0 305.471 3.250 10 5 DGBERO Cc1c(NC(=O)CC[NH2+][C@H](C)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000074317329 283795065 /nfs/dbraw/zinc/79/50/65/283795065.db2.gz JVAYTABHNIADBX-GFCCVEGCSA-N 1 0 307.394 3.256 10 5 DGBERO CC(C)(C)[C@H](O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543469 241164622 /nfs/dbraw/zinc/16/46/22/241164622.db2.gz BWSSDQXSQIUCIO-GOEBONIOSA-N 1 0 306.406 3.181 10 5 DGBERO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000470954854 244199953 /nfs/dbraw/zinc/19/99/53/244199953.db2.gz CWOJUDGWRLVUBD-GHMZBOCLSA-N 1 0 318.295 3.246 10 5 DGBERO C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H](C)C1 ZINC000246590969 432146696 /nfs/dbraw/zinc/14/66/96/432146696.db2.gz GROMNASWMZYMFM-STQMWFEESA-N 1 0 320.389 3.329 10 5 DGBERO CCc1nccn1[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000105896466 194162265 /nfs/dbraw/zinc/16/22/65/194162265.db2.gz KEIYHVHDXWHPOD-INIZCTEOSA-N 1 0 314.389 3.191 10 5 DGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(n2ccnc2)CC1 ZINC000109796586 194286351 /nfs/dbraw/zinc/28/63/51/194286351.db2.gz AZKQGLYXYAAEHG-ZDUSSCGKSA-N 1 0 300.362 3.189 10 5 DGBERO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCO[C@H]3CCCC[C@@H]32)cc1 ZINC000056494635 184013575 /nfs/dbraw/zinc/01/35/75/184013575.db2.gz XOOWINUPVVITSH-IRXDYDNUSA-N 1 0 320.389 3.007 10 5 DGBERO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)Cc1cc(C)n[nH]1 ZINC000468738314 533384716 /nfs/dbraw/zinc/38/47/16/533384716.db2.gz HAEUOKOQGMIJLP-OTAKNEKHSA-N 1 0 314.389 3.250 10 5 DGBERO CO[C@H]1CCC[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000619427448 400846441 /nfs/dbraw/zinc/84/64/41/400846441.db2.gz KTCSRDHBLIIVLB-RDJZCZTQSA-N 1 0 306.406 3.465 10 5 DGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCN1C(C)(C)C ZINC000594967877 401212470 /nfs/dbraw/zinc/21/24/70/401212470.db2.gz WWBOMVNYBDACHC-OOXMNIKJSA-N 1 0 317.433 3.461 10 5 DGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCO[C@@H]1CC1(F)F ZINC000594972073 401215064 /nfs/dbraw/zinc/21/50/64/401215064.db2.gz XTVIVAHSKVSRKZ-DPQIITEBSA-N 1 0 312.316 3.012 10 5 DGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCOC1(C)C ZINC000594993472 401222158 /nfs/dbraw/zinc/22/21/58/401222158.db2.gz ABSQVPZSKLESCR-CTXBLAANSA-N 1 0 304.390 3.403 10 5 DGBERO Cc1cc(NC[C@H]2CCC[N@H+]2C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359913036 286386944 /nfs/dbraw/zinc/38/69/44/286386944.db2.gz PTRFFXTXWMUKSS-SNVBAGLBSA-N 1 0 317.311 3.428 10 5 DGBERO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCCC34CCC4)n2)cc1 ZINC000365639522 287156945 /nfs/dbraw/zinc/15/69/45/287156945.db2.gz QUQWYJBRUDBCDF-UHFFFAOYSA-N 1 0 314.345 3.163 10 5 DGBERO CC(=O)c1cc([N+](=O)[O-])ccc1NC1CC([NH+]2CCCCC2)C1 ZINC000367819439 271080851 /nfs/dbraw/zinc/08/08/51/271080851.db2.gz RJULXOUNOJGMOO-UHFFFAOYSA-N 1 0 317.389 3.226 10 5 DGBERO C[C@H]1CC[C@H](C)[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000076150425 431531215 /nfs/dbraw/zinc/53/12/15/431531215.db2.gz DYTABXKOOGZTOM-RYUDHWBXSA-N 1 0 316.361 3.265 10 5 DGBERO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000116292266 431499766 /nfs/dbraw/zinc/49/97/66/431499766.db2.gz QZPKNKXOZYAEOE-OAHLLOKOSA-N 1 0 302.330 3.404 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC1(C)C ZINC000077382796 431590427 /nfs/dbraw/zinc/59/04/27/431590427.db2.gz LDISXVNBLKMEBM-UHFFFAOYSA-N 1 0 305.378 3.106 10 5 DGBERO COc1ccc2sc3c(C)ccc(NCC[NH3+])c3c(=O)c2c1 ZINC000102198938 431991852 /nfs/dbraw/zinc/99/18/52/431991852.db2.gz LPONDAOJTYWMCY-UHFFFAOYSA-N 1 0 314.410 3.102 10 5 DGBERO C[C@H]([NH2+]Cc1cccnc1-n1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000173315116 432271757 /nfs/dbraw/zinc/27/17/57/432271757.db2.gz MSKXVUCKBCZSLO-ZDUSSCGKSA-N 1 0 323.356 3.026 10 5 DGBERO C[N@@H+]1CC[C@]2(OC(=O)c3ccc([N+](=O)[O-])cc3)CCCC[C@H]2C1 ZINC000248023361 432261259 /nfs/dbraw/zinc/26/12/59/432261259.db2.gz KCSJHKGWIDSOMK-WMLDXEAASA-N 1 0 318.373 3.016 10 5 DGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152503775 432337626 /nfs/dbraw/zinc/33/76/26/432337626.db2.gz UBEBNUSDLHJSBW-DYVFJYSZSA-N 1 0 313.357 3.204 10 5 DGBERO COc1cnccc1[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000187050340 432642779 /nfs/dbraw/zinc/64/27/79/432642779.db2.gz FIXGYPNJPMIVPX-RYUDHWBXSA-N 1 0 301.346 3.410 10 5 DGBERO O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000245868484 432866691 /nfs/dbraw/zinc/86/66/91/432866691.db2.gz LSCRTQTYMICRCO-GJZGRUSLSA-N 1 0 322.430 3.081 10 5 DGBERO CCC[NH+]1CCC(Nc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000301614201 433636870 /nfs/dbraw/zinc/63/68/70/433636870.db2.gz HWULHWWMAJSPPQ-UHFFFAOYSA-N 1 0 311.357 3.029 10 5 DGBERO CC(=O)c1ccc(NC[C@@H]2CCC[N@H+]2CC(C)C)c([N+](=O)[O-])c1 ZINC000301844385 433753088 /nfs/dbraw/zinc/75/30/88/433753088.db2.gz LNNCALLMSTVWRD-HNNXBMFYSA-N 1 0 319.405 3.330 10 5 DGBERO Cc1ccc([C@H](C)[NH2+][C@@H](CO)CC2CCCC2)cc1[N+](=O)[O-] ZINC000511025834 294398852 /nfs/dbraw/zinc/39/88/52/294398852.db2.gz GEMIXPVGZVGQEY-XJKSGUPXSA-N 1 0 306.406 3.495 10 5 DGBERO C[NH2+]C(C)(C)CNc1cc(C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000461961933 434893858 /nfs/dbraw/zinc/89/38/58/434893858.db2.gz YJQDRYDNZBFJRE-UHFFFAOYSA-N 1 0 305.300 3.332 10 5 DGBERO Cc1cc(CC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)on1 ZINC000556920270 435039120 /nfs/dbraw/zinc/03/91/20/435039120.db2.gz GJLJIQSCFCLIPH-INIZCTEOSA-N 1 0 315.373 3.446 10 5 DGBERO CCO[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C12CCCC2 ZINC000583030556 324305175 /nfs/dbraw/zinc/30/51/75/324305175.db2.gz QRMYEBLAWISQRU-OLZOCXBDSA-N 1 0 310.419 3.484 10 5 DGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)C1CCCC1 ZINC000184647948 534339781 /nfs/dbraw/zinc/33/97/81/534339781.db2.gz KCCLEUYCWHGBSH-LBPRGKRZSA-N 1 0 305.378 3.010 10 5 DGBERO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000157011899 527401307 /nfs/dbraw/zinc/40/13/07/527401307.db2.gz DJDSVZRUNDOSJT-CYBMUJFWSA-N 1 0 303.387 3.431 10 5 DGBERO O=[N+]([O-])c1ccc(NCCCCCCC[NH+]2CCCC2)cn1 ZINC000735486377 574703625 /nfs/dbraw/zinc/70/36/25/574703625.db2.gz ADZALPXVIZJOKF-UHFFFAOYSA-N 1 0 306.410 3.448 10 5 DGBERO C[C@H]1CC[C@H](C)[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128760863 625221361 /nfs/dbraw/zinc/22/13/61/625221361.db2.gz DMNZUSIAUQPOAI-RYUDHWBXSA-N 1 0 323.368 3.183 10 5 DGBERO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)c2ccccc2)ccc1Cl ZINC000096630396 655678622 /nfs/dbraw/zinc/67/86/22/655678622.db2.gz VOIHPBDXONOYTJ-CQSZACIVSA-N 1 0 306.749 3.071 10 5 DGBERO C[C@@H]([NH3+])[C@H]1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000235170878 655822369 /nfs/dbraw/zinc/82/23/69/655822369.db2.gz HGTWZFNQZKTVQM-BDAKNGLRSA-N 1 0 318.204 3.465 10 5 DGBERO [NH3+][C@@H]1CC[C@H]2CN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)C[C@H]12 ZINC000312656344 656169985 /nfs/dbraw/zinc/16/99/85/656169985.db2.gz GOVPIJACQCJKHW-QOSJWCAFSA-N 1 0 316.188 3.075 10 5 DGBERO CC[N@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CCCCC1 ZINC000124328141 656234828 /nfs/dbraw/zinc/23/48/28/656234828.db2.gz YAOUJZTWXNPMFS-UHFFFAOYSA-N 1 0 319.361 3.115 10 5 DGBERO O=[N+]([O-])c1cccc(N2CC[NH+]([C@H]3C[C@@H]3c3ccccc3)CC2)c1 ZINC000225573004 659076044 /nfs/dbraw/zinc/07/60/44/659076044.db2.gz VBYGNBSOVHSAAW-MOPGFXCFSA-N 1 0 323.396 3.273 10 5 DGBERO O=[N+]([O-])c1ccc(N2CCC([C@@H]3CCC[NH2+]3)CC2)c(Cl)c1 ZINC000063201237 659372092 /nfs/dbraw/zinc/37/20/92/659372092.db2.gz JWDHXLNELFBYJJ-AWEZNQCLSA-N 1 0 309.797 3.217 10 5 DGBERO CCOC[C@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000188871447 1203233523 /nfs/dbraw/zinc/23/35/23/1203233523.db2.gz ZSHLADGZDKATOX-ZDUSSCGKSA-N 1 0 300.786 3.399 10 5 DGBERO Cc1ccc(CN2CCCC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000092785618 185341027 /nfs/dbraw/zinc/34/10/27/185341027.db2.gz OOPLMVPJPLMRFB-QGZVFWFLSA-N 1 0 317.433 3.354 10 5 DGBERO C[C@H]1[NH2+]CCC[C@H]1Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000229597031 201842632 /nfs/dbraw/zinc/84/26/32/201842632.db2.gz OYUBHAMJGCLABX-LDYMZIIASA-N 1 0 303.284 3.166 10 5 DGBERO O=C(C[N@@H+]1CCC[C@H]2CCCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000067132595 432026995 /nfs/dbraw/zinc/02/69/95/432026995.db2.gz YXRYJSJXYABHKA-HIFRSBDPSA-N 1 0 317.389 3.188 10 5 DGBERO CCC[N@H+](C)C[C@@H]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000081570646 192293213 /nfs/dbraw/zinc/29/32/13/192293213.db2.gz AGSXWFUKOVNWOP-GJZGRUSLSA-N 1 0 305.422 3.320 10 5 DGBERO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000470952178 244197267 /nfs/dbraw/zinc/19/72/67/244197267.db2.gz BFMJJXWEQPFQGV-MFKMUULPSA-N 1 0 302.296 3.410 10 5 DGBERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000015415244 182001181 /nfs/dbraw/zinc/00/11/81/182001181.db2.gz UKPKGAKNZBGCSU-MNOVXSKESA-N 1 0 304.350 3.340 10 5 DGBERO C[N@H+](CCNCc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCC1 ZINC000105497600 194107111 /nfs/dbraw/zinc/10/71/11/194107111.db2.gz DBPRUWDTIUIRRI-UHFFFAOYSA-N 1 0 311.813 3.212 10 5 DGBERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000105896668 194162704 /nfs/dbraw/zinc/16/27/04/194162704.db2.gz NLLNXUACUUHBIW-OAHLLOKOSA-N 1 0 314.389 3.191 10 5 DGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)CC[C@H]1C ZINC000245448812 252765021 /nfs/dbraw/zinc/76/50/21/252765021.db2.gz NEZNZFMAZVEVLP-TZMCWYRMSA-N 1 0 319.405 3.352 10 5 DGBERO COc1ccc(C[N@H+](C)CCc2ncc(C)s2)cc1[N+](=O)[O-] ZINC000157512313 197193111 /nfs/dbraw/zinc/19/31/11/197193111.db2.gz WWOCTIQMGNQFCK-UHFFFAOYSA-N 1 0 321.402 3.043 10 5 DGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000470173585 533406677 /nfs/dbraw/zinc/40/66/77/533406677.db2.gz CYYADEYOGJCEKM-PMXLPMHFSA-N 1 0 315.417 3.167 10 5 DGBERO Cc1cc(N[C@@H](C)C[C@H](C)[NH3+])c(Br)cc1[N+](=O)[O-] ZINC000320228758 400163844 /nfs/dbraw/zinc/16/38/44/400163844.db2.gz HFAOINOUHCXNID-IUCAKERBSA-N 1 0 316.199 3.203 10 5 DGBERO C[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)(C)C ZINC000114196319 400385202 /nfs/dbraw/zinc/38/52/02/400385202.db2.gz IZQPRWBYFMJCKW-SNVBAGLBSA-N 1 0 304.350 3.169 10 5 DGBERO O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[NH2+]2)cc1C(F)(F)F ZINC000044493132 400493782 /nfs/dbraw/zinc/49/37/82/400493782.db2.gz OURUJWHIBIIAIJ-JTQLQIEISA-N 1 0 303.284 3.168 10 5 DGBERO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCOCC1CCC1)C1CC1 ZINC000613242575 400680776 /nfs/dbraw/zinc/68/07/76/400680776.db2.gz FAUPNCYLXHVKJX-KRWDZBQOSA-N 1 0 318.417 3.322 10 5 DGBERO CCC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000078251475 400780933 /nfs/dbraw/zinc/78/09/33/400780933.db2.gz RCVKBGJCPPYDTF-UHFFFAOYSA-N 1 0 314.389 3.065 10 5 DGBERO CO[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000619428488 400846044 /nfs/dbraw/zinc/84/60/44/400846044.db2.gz FABZIPNUXXPBQC-ZIAGYGMSSA-N 1 0 312.797 3.338 10 5 DGBERO CC(=O)c1cc(NCCC[N@@H+](C)CC(C)C)ccc1[N+](=O)[O-] ZINC000593479675 400861202 /nfs/dbraw/zinc/86/12/02/400861202.db2.gz IDPZKNITCREJHL-UHFFFAOYSA-N 1 0 307.394 3.187 10 5 DGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)c1nccn1C ZINC000594997168 401223678 /nfs/dbraw/zinc/22/36/78/401223678.db2.gz YWDSTQFVNYALSU-KIWPFMIBSA-N 1 0 300.362 3.082 10 5 DGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)c1nccn1C ZINC000594997170 401223984 /nfs/dbraw/zinc/22/39/84/401223984.db2.gz YWDSTQFVNYALSU-SUIFULHWSA-N 1 0 300.362 3.082 10 5 DGBERO COc1cccc(CC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000361929571 286746168 /nfs/dbraw/zinc/74/61/68/286746168.db2.gz NWUOBSZRWASDRE-ZDUSSCGKSA-N 1 0 315.373 3.200 10 5 DGBERO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000246986459 165555422 /nfs/dbraw/zinc/55/54/22/165555422.db2.gz JYUGMOLATXFDHE-WOSRLPQWSA-N 1 0 321.421 3.329 10 5 DGBERO C[C@H]1C[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000182213258 432165801 /nfs/dbraw/zinc/16/58/01/432165801.db2.gz KPUMSXHHYIPWPH-AAEUAGOBSA-N 1 0 311.813 3.163 10 5 DGBERO C[C@@H]([NH2+][C@@H](C)C1CCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000172169406 432200636 /nfs/dbraw/zinc/20/06/36/432200636.db2.gz WRTYCKDIIKGEDM-NWDGAFQWSA-N 1 0 305.378 3.090 10 5 DGBERO C[C@@H]1CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000154941912 274292788 /nfs/dbraw/zinc/29/27/88/274292788.db2.gz XPRQQTAYDPUSKC-GFCCVEGCSA-N 1 0 307.369 3.187 10 5 DGBERO C[C@@H]1CCC[N@@H+]1C1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000154960584 274292822 /nfs/dbraw/zinc/29/28/22/274292822.db2.gz MKLNNYXIPSPHJZ-LLVKDONJSA-N 1 0 324.812 3.096 10 5 DGBERO C[N@@H+]1CC[C@]2(OC(=O)c3ccc([N+](=O)[O-])cc3)CCCC[C@@H]2C1 ZINC000000161306 431135527 /nfs/dbraw/zinc/13/55/27/431135527.db2.gz KCSJHKGWIDSOMK-RHSMWYFYSA-N 1 0 318.373 3.016 10 5 DGBERO C[C@H]1CC[C@H](C)[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000076149899 431531132 /nfs/dbraw/zinc/53/11/32/431531132.db2.gz ROHCFTSXYNVCFH-RYUDHWBXSA-N 1 0 316.361 3.265 10 5 DGBERO O=[N+]([O-])c1ccc2sc(SC[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000095092255 431921849 /nfs/dbraw/zinc/92/18/49/431921849.db2.gz KLGKYRFJXWLWQM-SECBINFHSA-N 1 0 309.416 3.296 10 5 DGBERO Cc1c(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000248056082 432264818 /nfs/dbraw/zinc/26/48/18/432264818.db2.gz XMIUFFWVESUOHI-RDJZCZTQSA-N 1 0 304.390 3.030 10 5 DGBERO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000249692981 432353714 /nfs/dbraw/zinc/35/37/14/432353714.db2.gz XOOWINUPVVITSH-SJORKVTESA-N 1 0 320.389 3.007 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000183577659 432305441 /nfs/dbraw/zinc/30/54/41/432305441.db2.gz XEZBWRDTPDPKDZ-ZBFHGGJFSA-N 1 0 322.430 3.048 10 5 DGBERO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000153907696 432455857 /nfs/dbraw/zinc/45/58/57/432455857.db2.gz WOYLCMRQYPNCFT-NWANDNLSSA-N 1 0 322.405 3.195 10 5 DGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000262307123 432480949 /nfs/dbraw/zinc/48/09/49/432480949.db2.gz PHPOHDZSJAUNGP-ZDUSSCGKSA-N 1 0 303.406 3.120 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1N1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000154892002 432527419 /nfs/dbraw/zinc/52/74/19/432527419.db2.gz LDDNWKJCNPOQMV-AWEZNQCLSA-N 1 0 303.406 3.356 10 5 DGBERO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(Cl)nc1 ZINC000177624663 432643947 /nfs/dbraw/zinc/64/39/47/432643947.db2.gz ZJCJRVVMVBBRGJ-UHFFFAOYSA-N 1 0 321.764 3.154 10 5 DGBERO CCC[N@H+](C)C[C@H]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245412263 432827640 /nfs/dbraw/zinc/82/76/40/432827640.db2.gz AGSXWFUKOVNWOP-HUUCEWRRSA-N 1 0 305.422 3.320 10 5 DGBERO COc1cnccc1[C@@H](C)NCc1ccc([N+](=O)[O-])cc1C ZINC000189548495 432798048 /nfs/dbraw/zinc/79/80/48/432798048.db2.gz HJAACJHHXHOSLY-GFCCVEGCSA-N 1 0 301.346 3.158 10 5 DGBERO COc1cc(F)c([N+](=O)[O-])c(NCC[NH+]2CCCCCC2)c1 ZINC000301527991 433594784 /nfs/dbraw/zinc/59/47/84/433594784.db2.gz OFHQTUQIPOLMAR-UHFFFAOYSA-N 1 0 311.357 3.030 10 5 DGBERO C[N@H+](CCSc1ccc([N+](=O)[O-])nc1)Cc1ccccc1 ZINC000450492841 434226648 /nfs/dbraw/zinc/22/66/48/434226648.db2.gz XFXZYRUEZSTPPA-UHFFFAOYSA-N 1 0 303.387 3.214 10 5 DGBERO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])nc2)C[N@@H+]1Cc1ccccc1 ZINC000398001425 434450445 /nfs/dbraw/zinc/45/04/45/434450445.db2.gz WLPJQIABSYNJLH-XJKSGUPXSA-N 1 0 312.373 3.065 10 5 DGBERO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])nc2)C[N@@H+]1Cc1ccccc1 ZINC000398001423 434452603 /nfs/dbraw/zinc/45/26/03/434452603.db2.gz WLPJQIABSYNJLH-CJNGLKHVSA-N 1 0 312.373 3.065 10 5 DGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](CO)CC1CCCC1 ZINC000554722109 434943381 /nfs/dbraw/zinc/94/33/81/434943381.db2.gz HBRLJEKPPRKBJB-UKRRQHHQSA-N 1 0 306.406 3.495 10 5 DGBERO CC(C)(O)CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000480712943 435391060 /nfs/dbraw/zinc/39/10/60/435391060.db2.gz LBKPGVYVQVCCMB-QGZVFWFLSA-N 1 0 314.385 3.435 10 5 DGBERO [NH3+]C[C@@H]1CC[C@@H](Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000382420859 323621456 /nfs/dbraw/zinc/62/14/56/323621456.db2.gz KDYXQAURQWHDSV-HTQZYQBOSA-N 1 0 304.177 3.441 10 5 DGBERO [NH3+]C[C@H]1CC[C@@H](Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000382420860 323621743 /nfs/dbraw/zinc/62/17/43/323621743.db2.gz KDYXQAURQWHDSV-JGVFFNPUSA-N 1 0 304.177 3.441 10 5 DGBERO CCCN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000157882413 521683413 /nfs/dbraw/zinc/68/34/13/521683413.db2.gz PGKPKXSOUKFXGH-UHFFFAOYSA-N 1 0 311.813 3.212 10 5 DGBERO COC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000733331890 574617142 /nfs/dbraw/zinc/61/71/42/574617142.db2.gz LRPFYNMLFHOPKU-MRXNPFEDSA-N 1 0 300.358 3.381 10 5 DGBERO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(C)(C)C ZINC000114196952 620989765 /nfs/dbraw/zinc/98/97/65/620989765.db2.gz KWESXGMFKWEHEW-SECBINFHSA-N 1 0 313.785 3.211 10 5 DGBERO CCN(Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000261979765 655656672 /nfs/dbraw/zinc/65/66/72/655656672.db2.gz RFUCGNXXWNOPGV-ZDUSSCGKSA-N 1 0 311.813 3.212 10 5 DGBERO O=[N+]([O-])c1cccc(N2CC[NH+]([C@@H]3C[C@@H]3c3ccccc3)CC2)c1 ZINC000225572971 655787930 /nfs/dbraw/zinc/78/79/30/655787930.db2.gz VBYGNBSOVHSAAW-RTBURBONSA-N 1 0 323.396 3.273 10 5 DGBERO CCOC[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000233778775 1202602984 /nfs/dbraw/zinc/60/29/84/1202602984.db2.gz VSCFSWHMKUAXIC-ZDUSSCGKSA-N 1 0 300.786 3.399 10 5 DGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000183880835 186227062 /nfs/dbraw/zinc/22/70/62/186227062.db2.gz PJOPRMTZLNENAP-ZFWWWQNUSA-N 1 0 320.389 3.131 10 5 DGBERO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)C2CCCC2)cccc1[N+](=O)[O-] ZINC000172169687 198051574 /nfs/dbraw/zinc/05/15/74/198051574.db2.gz OBFOUXORBYEJJQ-STQMWFEESA-N 1 0 319.405 3.399 10 5 DGBERO O=[N+]([O-])c1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cs1 ZINC000134880360 432087640 /nfs/dbraw/zinc/08/76/40/432087640.db2.gz CGSGRTWAFHLXHU-HIFRSBDPSA-N 1 0 321.446 3.105 10 5 DGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(CF)CCOCC1 ZINC000449488562 240240177 /nfs/dbraw/zinc/24/01/77/240240177.db2.gz IKAJYEKNTDVZHD-ZROIWOOFSA-N 1 0 322.380 3.354 10 5 DGBERO CCS[C@@H]1CCCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246318840 432118178 /nfs/dbraw/zinc/11/81/78/432118178.db2.gz RLXFTLXNVFLJTD-HZPDHXFCSA-N 1 0 324.446 3.236 10 5 DGBERO Cc1cnc(CC[N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000093807187 193310265 /nfs/dbraw/zinc/31/02/65/193310265.db2.gz AWMHZLNYAURQHE-UHFFFAOYSA-N 1 0 305.403 3.343 10 5 DGBERO C[C@H](Oc1ccccc1-c1cccc([N+](=O)[O-])c1)C1=[NH+]CCN1 ZINC000013585595 181865754 /nfs/dbraw/zinc/86/57/54/181865754.db2.gz NMSAVNXFCXMJJY-LBPRGKRZSA-N 1 0 311.341 3.031 10 5 DGBERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000129758726 284422566 /nfs/dbraw/zinc/42/25/66/284422566.db2.gz PXLUAKRVXJFGQY-GARXJVFOSA-N 1 0 318.417 3.463 10 5 DGBERO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000245510560 284819267 /nfs/dbraw/zinc/81/92/67/284819267.db2.gz WOYLCMRQYPNCFT-AEGPPILISA-N 1 0 322.405 3.195 10 5 DGBERO COc1ccccc1/C=C\C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000255371600 285150563 /nfs/dbraw/zinc/15/05/63/285150563.db2.gz ZYJQCKPRDBKYCK-XQRVVYSFSA-N 1 0 312.369 3.449 10 5 DGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000470182596 533382040 /nfs/dbraw/zinc/38/20/40/533382040.db2.gz MEKFYCCQDOHABD-JBQASTCHSA-N 1 0 316.401 3.499 10 5 DGBERO COc1cc(NCC2([NH+](C)C)CCCC2)c([N+](=O)[O-])cc1F ZINC000610715004 400295240 /nfs/dbraw/zinc/29/52/40/400295240.db2.gz GJQTYXOMKVXHGT-UHFFFAOYSA-N 1 0 311.357 3.029 10 5 DGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)C(C)(C)C ZINC000074317980 400504769 /nfs/dbraw/zinc/50/47/69/400504769.db2.gz VHKHCNQSSHJGAO-GFCCVEGCSA-N 1 0 307.394 3.256 10 5 DGBERO CC(C)c1ccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000174809934 400863286 /nfs/dbraw/zinc/86/32/86/400863286.db2.gz LQJFXLCHUFPNER-ZDUSSCGKSA-N 1 0 302.378 3.266 10 5 DGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1CCC(O)CC1 ZINC000594990810 401221020 /nfs/dbraw/zinc/22/10/20/401221020.db2.gz AMGYFZWKTVFACB-UKTHLTGXSA-N 1 0 304.390 3.139 10 5 DGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195505622 165371898 /nfs/dbraw/zinc/37/18/98/165371898.db2.gz AEGVBPWELOKLRZ-LBPRGKRZSA-N 1 0 300.362 3.259 10 5 DGBERO C[NH+](C)C1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000301900969 229970023 /nfs/dbraw/zinc/97/00/23/229970023.db2.gz ZPPXWCFEXCTRGG-UHFFFAOYSA-N 1 0 321.421 3.303 10 5 DGBERO Cc1cc(NCCC2(C)OCCO2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302145234 230121975 /nfs/dbraw/zinc/12/19/75/230121975.db2.gz HGHSGXGLFTWDFG-UHFFFAOYSA-N 1 0 317.345 3.016 10 5 DGBERO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CSCCS2)ccc1Cl ZINC000125224504 275033149 /nfs/dbraw/zinc/03/31/49/275033149.db2.gz HYDUKBRRSXLCNG-SNVBAGLBSA-N 1 0 318.851 3.186 10 5 DGBERO C[C@@H]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000262422551 277757542 /nfs/dbraw/zinc/75/75/42/277757542.db2.gz FCYOFJCJLWDXLD-MWLCHTKSSA-N 1 0 317.311 3.177 10 5 DGBERO CC(C)c1ccc(CN2CC[C@@H]([NH3+])C(C)(C)C2)cc1[N+](=O)[O-] ZINC000261669397 278036419 /nfs/dbraw/zinc/03/64/19/278036419.db2.gz IWXBIZQISMJTCH-MRXNPFEDSA-N 1 0 305.422 3.277 10 5 DGBERO C[C@H]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000262422549 278370022 /nfs/dbraw/zinc/37/00/22/278370022.db2.gz FCYOFJCJLWDXLD-GXSJLCMTSA-N 1 0 317.311 3.177 10 5 DGBERO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@H]1CCCCC1(F)F)CC2 ZINC000408456610 280382469 /nfs/dbraw/zinc/38/24/69/280382469.db2.gz JVZJTTVMBUJKQR-GFCCVEGCSA-N 1 0 311.332 3.173 10 5 DGBERO Cc1cc(C)c([N+](=O)[O-])c(N2CCC([NH+]3CCCCC3)CC2)n1 ZINC000408172264 280398218 /nfs/dbraw/zinc/39/82/18/280398218.db2.gz UTFBVONFORFVKV-UHFFFAOYSA-N 1 0 318.421 3.061 10 5 DGBERO CC[C@H]([NH2+]CCc1c(C)nn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000124218954 431886015 /nfs/dbraw/zinc/88/60/15/431886015.db2.gz IQZKSVPBOIHXEX-KRWDZBQOSA-N 1 0 316.405 3.229 10 5 DGBERO CC[C@H]([NH2+][C@@H](C)CC(=O)N(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000090918445 431897645 /nfs/dbraw/zinc/89/76/45/431897645.db2.gz CDERMUJSMAMJEX-BBRMVZONSA-N 1 0 321.421 3.283 10 5 DGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000182878785 281019693 /nfs/dbraw/zinc/01/96/93/281019693.db2.gz DADLMKPODSRQBQ-GDBMZVCRSA-N 1 0 303.406 3.134 10 5 DGBERO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@H]1CCCO1 ZINC000128041502 431986774 /nfs/dbraw/zinc/98/67/74/431986774.db2.gz RGFVSYFMNWFBSQ-CYBMUJFWSA-N 1 0 316.357 3.466 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000183361436 432286556 /nfs/dbraw/zinc/28/65/56/432286556.db2.gz WNZQKYDUOOSPFD-WBVHZDCISA-N 1 0 304.390 3.030 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000183577676 432305256 /nfs/dbraw/zinc/30/52/56/432305256.db2.gz XEZBWRDTPDPKDZ-HOCLYGCPSA-N 1 0 322.430 3.048 10 5 DGBERO CCC1(CC)CN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC[S@@]1=O ZINC000185244532 432483199 /nfs/dbraw/zinc/48/31/99/432483199.db2.gz SODIKGVFIGFHSP-XMHCIUCPSA-N 1 0 324.446 3.279 10 5 DGBERO CC[N@@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000194381012 432546271 /nfs/dbraw/zinc/54/62/71/432546271.db2.gz FAIPFCRKTWRLCU-GFCCVEGCSA-N 1 0 300.362 3.039 10 5 DGBERO Cc1ccc([C@@H](C)[NH2+]CCN2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000156615375 432601859 /nfs/dbraw/zinc/60/18/59/432601859.db2.gz ZQBHXCBOFSCMSY-LSDHHAIUSA-N 1 0 305.422 3.428 10 5 DGBERO C[C@H]1CC[C@](CO)([N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000188031882 432700023 /nfs/dbraw/zinc/70/00/23/432700023.db2.gz NURSXPGDEXKWLL-NHYWBVRUSA-N 1 0 312.797 3.231 10 5 DGBERO CC1(C)CC[C@@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)O1 ZINC000187865921 432690286 /nfs/dbraw/zinc/69/02/86/432690286.db2.gz ZAJHULMAHLMJFC-HOTGVXAUSA-N 1 0 318.417 3.463 10 5 DGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160649472 432734681 /nfs/dbraw/zinc/73/46/81/432734681.db2.gz UPDIYJGJABLBEB-FRFSOERESA-N 1 0 304.390 3.283 10 5 DGBERO CC(C)c1noc(CCC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000160815431 432743718 /nfs/dbraw/zinc/74/37/18/432743718.db2.gz FXKWDAZCJMICMN-GFCCVEGCSA-N 1 0 318.377 3.385 10 5 DGBERO C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1c1cccc(F)c1 ZINC000245411669 432828690 /nfs/dbraw/zinc/82/86/90/432828690.db2.gz XYOTUOBRPSZROO-MLGOLLRUSA-N 1 0 318.352 3.014 10 5 DGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000245515131 432839439 /nfs/dbraw/zinc/83/94/39/432839439.db2.gz DADLMKPODSRQBQ-ZBFHGGJFSA-N 1 0 303.406 3.134 10 5 DGBERO O=[N+]([O-])c1cc(CN2CC[NH+](C3CCCCC3)CC2)cs1 ZINC000163010923 432840927 /nfs/dbraw/zinc/84/09/27/432840927.db2.gz AQVTVEXWGKYYOU-UHFFFAOYSA-N 1 0 309.435 3.107 10 5 DGBERO Cc1ccc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c([N+](=O)[O-])c1 ZINC000301465151 433564930 /nfs/dbraw/zinc/56/49/30/433564930.db2.gz HEZFMNHMHUAVLK-CABCVRRESA-N 1 0 303.406 3.355 10 5 DGBERO CC[N@H+](C)[C@@H]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000302775382 433858738 /nfs/dbraw/zinc/85/87/38/433858738.db2.gz OIXQXAAHBCGWEY-LLVKDONJSA-N 1 0 317.311 3.144 10 5 DGBERO C[C@@H](Nc1ccc([N+](=O)[O-])nc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450435229 434181831 /nfs/dbraw/zinc/18/18/31/434181831.db2.gz OUTBXPXGOYYIED-CHWSQXEVSA-N 1 0 304.394 3.055 10 5 DGBERO CC[C@H](C)[NH2+][C@@H](CNc1ccc([N+](=O)[O-])nc1)c1ccco1 ZINC000450527626 434244316 /nfs/dbraw/zinc/24/43/16/434244316.db2.gz HYACTPQRXYVWRW-AAEUAGOBSA-N 1 0 304.350 3.124 10 5 DGBERO CC[NH2+][C@H](C)CNc1cc(C)c([N+](=O)[O-])cc1Br ZINC000395736280 434419439 /nfs/dbraw/zinc/41/94/39/434419439.db2.gz RBPMATNQEJCQHN-SECBINFHSA-N 1 0 316.199 3.076 10 5 DGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000560943250 435195964 /nfs/dbraw/zinc/19/59/64/435195964.db2.gz DWCJIYPNMIMLKX-LRDDRELGSA-N 1 0 314.389 3.365 10 5 DGBERO Cc1cc(CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)on1 ZINC000556920280 314788572 /nfs/dbraw/zinc/78/85/72/314788572.db2.gz GJLJIQSCFCLIPH-MRXNPFEDSA-N 1 0 315.373 3.446 10 5 DGBERO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(-n2ccnn2)cc1 ZINC000182043661 323281065 /nfs/dbraw/zinc/28/10/65/323281065.db2.gz ATXLBHFCZKHTOE-ZDUSSCGKSA-N 1 0 323.356 3.026 10 5 DGBERO Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000183489311 323339922 /nfs/dbraw/zinc/33/99/22/323339922.db2.gz PLVKUHQSGQEAEZ-GFCCVEGCSA-N 1 0 316.405 3.229 10 5 DGBERO CC[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000185097075 323381622 /nfs/dbraw/zinc/38/16/22/323381622.db2.gz CTSIPTDLBVYSJO-CYBMUJFWSA-N 1 0 307.375 3.171 10 5 DGBERO C[C@@H](CNc1ncc(Cl)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000434950188 534096494 /nfs/dbraw/zinc/09/64/94/534096494.db2.gz GZQWPPMEEBPVJU-MNOVXSKESA-N 1 0 312.801 3.318 10 5 DGBERO CCOc1cc(N2C[C@H]3CCC[N@@H+]3C[C@H]2CC)ccc1[N+](=O)[O-] ZINC000301968560 528314573 /nfs/dbraw/zinc/31/45/73/528314573.db2.gz YQFBLZJOIOLMLI-UKRRQHHQSA-N 1 0 319.405 3.057 10 5 DGBERO C[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(C)(C)C ZINC000129073430 625446136 /nfs/dbraw/zinc/44/61/36/625446136.db2.gz FRCMOVFIQIPCJY-SNVBAGLBSA-N 1 0 311.357 3.087 10 5 DGBERO C[C@@H]1C[C@H](C[NH3+])CN1c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000235280362 655865814 /nfs/dbraw/zinc/86/58/14/655865814.db2.gz VAFYKFMPUWJFAX-HTQZYQBOSA-N 1 0 304.177 3.075 10 5 DGBERO C[C@H]([NH3+])[C@H]1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000235501348 655915226 /nfs/dbraw/zinc/91/52/26/655915226.db2.gz HGTWZFNQZKTVQM-IUCAKERBSA-N 1 0 318.204 3.465 10 5 DGBERO O=[N+]([O-])c1cc(Cl)c(N2CC[C@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC000312323716 656128650 /nfs/dbraw/zinc/12/86/50/656128650.db2.gz CHPGLRJXGGMPOW-ZDUSSCGKSA-N 1 0 316.188 3.091 10 5 DGBERO [NH3+]CC[C@H]1CN(Cc2csc([N+](=O)[O-])c2)c2ccccc21 ZINC000063127311 656862222 /nfs/dbraw/zinc/86/22/22/656862222.db2.gz BNMDHZLWVBGUNE-LBPRGKRZSA-N 1 0 303.387 3.109 10 5 DGBERO C[C@@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C[C@H](C)[NH2+]1 ZINC000235645718 1202604776 /nfs/dbraw/zinc/60/47/76/1202604776.db2.gz DPPCDXBCMKCXDP-OCAPTIKFSA-N 1 0 304.177 3.088 10 5 DGBERO CCOC(=O)c1ccc2c(c1)N=C(C)[N@+]2(CC)C[C@H]1CCCO1 ZINC000249698826 717164679 /nfs/dbraw/zinc/16/46/79/717164679.db2.gz DJVUHFZYUPQOCP-QRWLVFNGSA-N 1 0 317.409 3.433 10 5 DGBERO CC[C@H]([NH2+]CC(=O)N(C(C)C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181560806 199317451 /nfs/dbraw/zinc/31/74/51/199317451.db2.gz CUMNNIZJVQVKPU-INIZCTEOSA-N 1 0 321.421 3.281 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000188281368 200221468 /nfs/dbraw/zinc/22/14/68/200221468.db2.gz WFOAVNZIGACFBH-KRWDZBQOSA-N 1 0 304.390 3.294 10 5 DGBERO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cn1 ZINC000435593231 238323999 /nfs/dbraw/zinc/32/39/99/238323999.db2.gz PMTVKXQGHWDJEL-HNNXBMFYSA-N 1 0 304.394 3.199 10 5 DGBERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000105895097 194160718 /nfs/dbraw/zinc/16/07/18/194160718.db2.gz ZMGSSFRDGQFOQW-MRXNPFEDSA-N 1 0 314.389 3.282 10 5 DGBERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000105895095 194160951 /nfs/dbraw/zinc/16/09/51/194160951.db2.gz ZMGSSFRDGQFOQW-INIZCTEOSA-N 1 0 314.389 3.282 10 5 DGBERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000105894926 194161089 /nfs/dbraw/zinc/16/10/89/194161089.db2.gz XHFZVWNYMALQHI-INIZCTEOSA-N 1 0 314.389 3.282 10 5 DGBERO Cc1cnn([C@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000106221103 194190814 /nfs/dbraw/zinc/19/08/14/194190814.db2.gz REQODQSZQBNTEA-INIZCTEOSA-N 1 0 314.389 3.245 10 5 DGBERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173445885 252658314 /nfs/dbraw/zinc/65/83/14/252658314.db2.gz LTVJTANNBIULNS-VXGBXAGGSA-N 1 0 316.405 3.227 10 5 DGBERO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC000123567707 285111999 /nfs/dbraw/zinc/11/19/99/285111999.db2.gz RXPPQZKSTOLVQV-CVEARBPZSA-N 1 0 322.430 3.081 10 5 DGBERO C[C@@H](C(=O)OC(C)(C)C)N(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255560782 285164231 /nfs/dbraw/zinc/16/42/31/285164231.db2.gz KQBXBFUDNYSNEY-KJJQSCHISA-N 1 0 320.389 3.270 10 5 DGBERO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000157597781 197200494 /nfs/dbraw/zinc/20/04/94/197200494.db2.gz CHWAOEJOEVMUAQ-NSHDSACASA-N 1 0 308.769 3.138 10 5 DGBERO CC(C)CC[C@@](C)(O)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255668234 285172569 /nfs/dbraw/zinc/17/25/69/285172569.db2.gz SIDMQBSXRMEHIE-BQLWYNFJSA-N 1 0 306.406 3.385 10 5 DGBERO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCCC[C@@H]2n2cccn2)cc1 ZINC000127846345 195914647 /nfs/dbraw/zinc/91/46/47/195914647.db2.gz HMDFHTWVANPLQS-IRXDYDNUSA-N 1 0 314.389 3.107 10 5 DGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC([NH+](C)C)CC1 ZINC000470182218 533406854 /nfs/dbraw/zinc/40/68/54/533406854.db2.gz KABZFLBUPCBIGN-SDNWHVSQSA-N 1 0 303.406 3.024 10 5 DGBERO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)Cc1cc(C)n[nH]1 ZINC000468738316 533408198 /nfs/dbraw/zinc/40/81/98/533408198.db2.gz HAEUOKOQGMIJLP-WHGQRRHOSA-N 1 0 314.389 3.250 10 5 DGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CCCC[C@H]1C ZINC000468637535 533408429 /nfs/dbraw/zinc/40/84/29/533408429.db2.gz JJZGEDSFZHBPNF-ASNKMWSDSA-N 1 0 317.433 3.462 10 5 DGBERO OC[C@H](O)C[NH2+]Cc1ccc2ccc3cccc4ccc1c2c34 ZINC000584614596 400086161 /nfs/dbraw/zinc/08/61/61/400086161.db2.gz RRROFOSTWMHDMA-QGZVFWFLSA-N 1 0 305.377 3.027 10 5 DGBERO O=[N+]([O-])[C@@]12C[N@H+](Cc3ccccc3)C[C@@H]1c1ccccc1CC2 ZINC000225911413 400959631 /nfs/dbraw/zinc/95/96/31/400959631.db2.gz YZFQDGILOOBLOO-MOPGFXCFSA-N 1 0 308.381 3.248 10 5 DGBERO CCC[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1cccc([N+](=O)[O-])c1 ZINC000252728625 165702308 /nfs/dbraw/zinc/70/23/08/165702308.db2.gz CBYWVXPHEJIRPC-QOKQMOMRSA-N 1 0 312.435 3.183 10 5 DGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000247140544 432205125 /nfs/dbraw/zinc/20/51/25/432205125.db2.gz SVSOTLWMVGXBDU-GXTWGEPZSA-N 1 0 320.389 3.319 10 5 DGBERO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247962766 432256273 /nfs/dbraw/zinc/25/62/73/432256273.db2.gz GKGWBQGWMJORQE-UKPHBRMFSA-N 1 0 303.406 3.072 10 5 DGBERO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](C)C2CCCC2)cccc1[N+](=O)[O-] ZINC000172169691 274664562 /nfs/dbraw/zinc/66/45/62/274664562.db2.gz OBFOUXORBYEJJQ-CHWSQXEVSA-N 1 0 319.405 3.399 10 5 DGBERO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)[C@@H](C)OC ZINC000467390235 276429090 /nfs/dbraw/zinc/42/90/90/276429090.db2.gz UZLGQWYDJLRIHN-XQQFMLRXSA-N 1 0 312.435 3.479 10 5 DGBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)[C@@H](C)OC ZINC000467390236 287910168 /nfs/dbraw/zinc/91/01/68/287910168.db2.gz UZLGQWYDJLRIHN-YNEHKIRRSA-N 1 0 312.435 3.479 10 5 DGBERO Cc1c(C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)cccc1[N+](=O)[O-] ZINC000128348645 431992070 /nfs/dbraw/zinc/99/20/70/431992070.db2.gz CWXQCZYHCFUXGY-WBVHZDCISA-N 1 0 314.389 3.373 10 5 DGBERO C[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000173315131 432271630 /nfs/dbraw/zinc/27/16/30/432271630.db2.gz MSKXVUCKBCZSLO-CYBMUJFWSA-N 1 0 323.356 3.026 10 5 DGBERO CCC[C@H]([NH2+]CC[C@@H](C)[S@](C)=O)c1cccc([N+](=O)[O-])c1 ZINC000252728626 432386810 /nfs/dbraw/zinc/38/68/10/432386810.db2.gz CBYWVXPHEJIRPC-RKFVTTHHSA-N 1 0 312.435 3.183 10 5 DGBERO C[C@H]([NH2+][C@@H](C)c1cccs1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000192678934 432400047 /nfs/dbraw/zinc/40/00/47/432400047.db2.gz QJCPVQNJTRPKIV-QWRGUYRKSA-N 1 0 319.386 3.334 10 5 DGBERO Cn1cc(C[NH2+]CC2(C)CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000175869727 432472891 /nfs/dbraw/zinc/47/28/91/432472891.db2.gz MTYZMLQJWXIPKF-UHFFFAOYSA-N 1 0 314.389 3.275 10 5 DGBERO Cn1cccc1[C@@H]1CCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000193794156 432499390 /nfs/dbraw/zinc/49/93/90/432499390.db2.gz URGDJHOGUZAFAE-INIZCTEOSA-N 1 0 303.337 3.410 10 5 DGBERO C[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000219171353 432661718 /nfs/dbraw/zinc/66/17/18/432661718.db2.gz HWPTVWCEABTNTR-LBPRGKRZSA-N 1 0 323.393 3.160 10 5 DGBERO CCCCCNC(=O)[C@@H](C)[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000178670242 432764787 /nfs/dbraw/zinc/76/47/87/432764787.db2.gz JBHISWFRMRXDPA-CZUORRHYSA-N 1 0 321.421 3.330 10 5 DGBERO C[NH+](C)[C@@H](CNc1cc(F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000302870926 433889645 /nfs/dbraw/zinc/88/96/45/433889645.db2.gz YVBCYHKQFLYBSC-INIZCTEOSA-N 1 0 303.337 3.449 10 5 DGBERO Cc1ccc([C@H](C)[NH2+][C@H](CO)CC2CCCC2)cc1[N+](=O)[O-] ZINC000511025831 294399202 /nfs/dbraw/zinc/39/92/02/294399202.db2.gz GEMIXPVGZVGQEY-BBRMVZONSA-N 1 0 306.406 3.495 10 5 DGBERO C[C@H](O)C[C@H](C)[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000541226265 314001225 /nfs/dbraw/zinc/00/12/25/314001225.db2.gz XKMWCXBZQURHDZ-DEYYWGMASA-N 1 0 314.385 3.433 10 5 DGBERO CC[N@@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000180994244 323243633 /nfs/dbraw/zinc/24/36/33/323243633.db2.gz RUCNAYSKXBBIME-NSHDSACASA-N 1 0 315.320 3.092 10 5 DGBERO C[C@H]([NH2+][C@@H](CC(N)=O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000182014078 323279661 /nfs/dbraw/zinc/27/96/61/323279661.db2.gz CHLMUYLDOUGAAO-LRDDRELGSA-N 1 0 319.405 3.070 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCC(=O)OC(C)(C)C ZINC000183371819 323335208 /nfs/dbraw/zinc/33/52/08/323335208.db2.gz VXAATCKZXZTSNE-UHFFFAOYSA-N 1 0 308.378 3.067 10 5 DGBERO C[C@@H]1C[C@H](C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CCO1 ZINC000583556627 324369264 /nfs/dbraw/zinc/36/92/64/324369264.db2.gz MDLFVQLIMTWPPN-UKRRQHHQSA-N 1 0 304.390 3.374 10 5 DGBERO CC[NH2+]CC1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000157908317 519914773 /nfs/dbraw/zinc/91/47/73/519914773.db2.gz SJGOQAKXOQMMRK-UHFFFAOYSA-N 1 0 311.813 3.070 10 5 DGBERO CCC[N@@H+]1CCC[C@@H]1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000443085033 528225925 /nfs/dbraw/zinc/22/59/25/528225925.db2.gz IULALXCVZODVRH-CYBMUJFWSA-N 1 0 302.334 3.192 10 5 DGBERO C[C@@H]1CC[C@@H](C)[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128761078 625221999 /nfs/dbraw/zinc/22/19/99/625221999.db2.gz DMNZUSIAUQPOAI-VXGBXAGGSA-N 1 0 323.368 3.183 10 5 DGBERO C[C@@H]1C[C@@H](C[NH3+])CN1c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000235385890 655886925 /nfs/dbraw/zinc/88/69/25/655886925.db2.gz VAFYKFMPUWJFAX-SFYZADRCSA-N 1 0 304.177 3.075 10 5 DGBERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000092628256 656163315 /nfs/dbraw/zinc/16/33/15/656163315.db2.gz IIYNFMXRWSRJON-CQSZACIVSA-N 1 0 311.813 3.164 10 5 DGBERO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccc(Cl)nc1 ZINC000174584484 659440564 /nfs/dbraw/zinc/44/05/64/659440564.db2.gz RGDQMTLSSVTERF-UHFFFAOYSA-N 1 0 321.764 3.154 10 5 DGBERO CCOC(=O)c1ccc2c(c1)N=C(C)[N@@+]2(CC)C[C@@H]1CCCO1 ZINC000249698825 717164522 /nfs/dbraw/zinc/16/45/22/717164522.db2.gz DJVUHFZYUPQOCP-MGPUTAFESA-N 1 0 317.409 3.433 10 5 DGBERO O=[N+]([O-])c1cnccc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000145008503 186036304 /nfs/dbraw/zinc/03/63/04/186036304.db2.gz GSGSNBADMHSRPA-UHFFFAOYSA-N 1 0 312.373 3.066 10 5 DGBERO C[NH+](C)C1(CNc2ncc(Cl)cc2[N+](=O)[O-])CCCCC1 ZINC000434953764 238257881 /nfs/dbraw/zinc/25/78/81/238257881.db2.gz CSBRAQMDXGVHLF-UHFFFAOYSA-N 1 0 312.801 3.320 10 5 DGBERO CC[C@@H]([NH2+]C[C@H]1CC2(CCC2)C(=O)O1)c1cccc([N+](=O)[O-])c1 ZINC000192161647 200829713 /nfs/dbraw/zinc/82/97/13/200829713.db2.gz YKEYCPABGCNNNC-HUUCEWRRSA-N 1 0 318.373 3.121 10 5 DGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC2(CCO)CC2)o1 ZINC000189996632 432109760 /nfs/dbraw/zinc/10/97/60/432109760.db2.gz BXHWTHQKTCWBNC-UHFFFAOYSA-N 1 0 316.357 3.107 10 5 DGBERO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000470955783 244199225 /nfs/dbraw/zinc/19/92/25/244199225.db2.gz OOYBXVWOCHPONP-GXFFZTMASA-N 1 0 318.295 3.246 10 5 DGBERO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000093638944 193278772 /nfs/dbraw/zinc/27/87/72/193278772.db2.gz IPYSIQWIIJLGJM-ZBFHGGJFSA-N 1 0 305.422 3.065 10 5 DGBERO CC(C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000266409273 205326602 /nfs/dbraw/zinc/32/66/02/205326602.db2.gz QLXSGBOOFPQYLJ-GFCCVEGCSA-N 1 0 300.362 3.038 10 5 DGBERO [NH3+][C@@H]1CN(Cc2ccc(Cl)cc2)c2ccc([N+](=O)[O-])cc21 ZINC000019795928 182151132 /nfs/dbraw/zinc/15/11/32/182151132.db2.gz VXFDCHDJSCBUEC-CQSZACIVSA-N 1 0 303.749 3.268 10 5 DGBERO Cc1ccc([C@H](C)[NH2+][C@@H]2CN(C(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000246450195 432132278 /nfs/dbraw/zinc/13/22/78/432132278.db2.gz PFJDEBPVEFPYHZ-IJEWVQPXSA-N 1 0 305.422 3.283 10 5 DGBERO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc2ccccc2c1 ZINC000181485406 432132603 /nfs/dbraw/zinc/13/26/03/432132603.db2.gz LIBPKELOPRAPFU-CYBMUJFWSA-N 1 0 310.357 3.295 10 5 DGBERO CC[N@H+](CCc1nccs1)Cc1cccc([N+](=O)[O-])c1C ZINC000159299057 197342897 /nfs/dbraw/zinc/34/28/97/197342897.db2.gz IHTWRMNJTVOLJI-UHFFFAOYSA-N 1 0 305.403 3.424 10 5 DGBERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000120711154 195221868 /nfs/dbraw/zinc/22/18/68/195221868.db2.gz ZDCLLHMDZSCQOY-VXGBXAGGSA-N 1 0 316.405 3.227 10 5 DGBERO COCCCOC1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000122569111 195469073 /nfs/dbraw/zinc/46/90/73/195469073.db2.gz GKEYKCZGBWWRSO-AWEZNQCLSA-N 1 0 322.405 3.173 10 5 DGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000470182599 533382140 /nfs/dbraw/zinc/38/21/40/533382140.db2.gz MEKFYCCQDOHABD-XVAUXJJVSA-N 1 0 316.401 3.499 10 5 DGBERO CCC(CC)(COC(=O)c1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000005064857 400086408 /nfs/dbraw/zinc/08/64/08/400086408.db2.gz HFTYAQLKWDMMKZ-UHFFFAOYSA-N 1 0 308.378 3.120 10 5 DGBERO CC(C)COC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000077397019 400714826 /nfs/dbraw/zinc/71/48/26/400714826.db2.gz CWZPELCCXIGQMF-UHFFFAOYSA-N 1 0 306.406 3.274 10 5 DGBERO CC(C)Oc1cc(N2CC[C@@]3(CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000215977477 400948524 /nfs/dbraw/zinc/94/85/24/400948524.db2.gz QVWJNPIUXQAZGV-KRWDZBQOSA-N 1 0 319.405 3.057 10 5 DGBERO Cn1cc2c(n1)CCC[C@H]2[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000619749275 400898756 /nfs/dbraw/zinc/89/87/56/400898756.db2.gz IJASDERXLKILGC-ZQMJAJRESA-N 1 0 312.373 3.009 10 5 DGBERO O=[N+]([O-])c1cnccc1N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000060375302 401112971 /nfs/dbraw/zinc/11/29/71/401112971.db2.gz VTMQGVFXBWQXID-HNNXBMFYSA-N 1 0 312.373 3.066 10 5 DGBERO Cc1nn(C)c(C)c1CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000177745555 164814373 /nfs/dbraw/zinc/81/43/73/164814373.db2.gz COQYPTQLVRBMCN-LBPRGKRZSA-N 1 0 316.405 3.147 10 5 DGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000247140558 432206248 /nfs/dbraw/zinc/20/62/48/432206248.db2.gz SVSOTLWMVGXBDU-TZMCWYRMSA-N 1 0 320.389 3.319 10 5 DGBERO Cc1ccc(C[NH2+][C@H]2CCOC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000136711588 196548812 /nfs/dbraw/zinc/54/88/12/196548812.db2.gz KPLMDJMIHLNTNI-HNNXBMFYSA-N 1 0 304.390 3.485 10 5 DGBERO COc1ccc(OCC[N@H+](C)Cc2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000173491517 228281339 /nfs/dbraw/zinc/28/13/39/228281339.db2.gz MIUAHRPRFGQVDN-UHFFFAOYSA-N 1 0 320.345 3.016 10 5 DGBERO C[C@@H]1CC[C@@H](C)[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000076150427 431530722 /nfs/dbraw/zinc/53/07/22/431530722.db2.gz DYTABXKOOGZTOM-VXGBXAGGSA-N 1 0 316.361 3.265 10 5 DGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCCC2)CC1 ZINC000045768172 431889165 /nfs/dbraw/zinc/88/91/65/431889165.db2.gz SMEAXFFXIQHCTN-AWEZNQCLSA-N 1 0 303.406 3.216 10 5 DGBERO CC[C@H]([NH2+][C@H]1CN(C(C)C)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000090918472 431897558 /nfs/dbraw/zinc/89/75/58/431897558.db2.gz NHSLSPWJJUZHFI-JQFCIGGWSA-N 1 0 305.422 3.364 10 5 DGBERO CC[C@H]([NH2+][C@H]1Cc2ccccc2[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000248130903 432270929 /nfs/dbraw/zinc/27/09/29/432270929.db2.gz OKJYLEMKMRPUHJ-OKZBNKHCSA-N 1 0 312.369 3.294 10 5 DGBERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173445875 432278942 /nfs/dbraw/zinc/27/89/42/432278942.db2.gz LTVJTANNBIULNS-RYUDHWBXSA-N 1 0 316.405 3.227 10 5 DGBERO Cc1cnn([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)c1 ZINC000183334096 432283486 /nfs/dbraw/zinc/28/34/86/432283486.db2.gz CZEQVPDYGOBHBI-KRWDZBQOSA-N 1 0 314.389 3.245 10 5 DGBERO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000183363576 432286001 /nfs/dbraw/zinc/28/60/01/432286001.db2.gz PALBVRRYWHVXEW-RHSMWYFYSA-N 1 0 305.422 3.065 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000183360875 432287208 /nfs/dbraw/zinc/28/72/08/432287208.db2.gz QOSFZJRJQWVYBS-KRWDZBQOSA-N 1 0 317.433 3.354 10 5 DGBERO O=[N+]([O-])c1cnn(CC[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000174815999 432372441 /nfs/dbraw/zinc/37/24/41/432372441.db2.gz GHWSDPXEURHLBY-HNNXBMFYSA-N 1 0 320.780 3.186 10 5 DGBERO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000174815989 432373493 /nfs/dbraw/zinc/37/34/93/432373493.db2.gz GHWSDPXEURHLBY-OAHLLOKOSA-N 1 0 320.780 3.186 10 5 DGBERO C[C@H]1C[C@@H](N(C)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000154016543 432463818 /nfs/dbraw/zinc/46/38/18/432463818.db2.gz ATSNPRRHYOXJGS-AAEUAGOBSA-N 1 0 311.813 3.163 10 5 DGBERO COc1cnccc1[C@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000187050358 432642875 /nfs/dbraw/zinc/64/28/75/432642875.db2.gz FIXGYPNJPMIVPX-NEPJUHHUSA-N 1 0 301.346 3.410 10 5 DGBERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000178323301 432720572 /nfs/dbraw/zinc/72/05/72/432720572.db2.gz AOIOQJLQIDMPOY-INIZCTEOSA-N 1 0 314.389 3.073 10 5 DGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178508592 432744920 /nfs/dbraw/zinc/74/49/20/432744920.db2.gz SVSOTLWMVGXBDU-JSGCOSHPSA-N 1 0 320.389 3.319 10 5 DGBERO CC[N@@H+]1CC[C@H](N(C)Cc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000245422011 432829260 /nfs/dbraw/zinc/82/92/60/432829260.db2.gz IIJPSWOQHYXWQY-BBRMVZONSA-N 1 0 305.422 3.065 10 5 DGBERO CC(=O)c1ccc2c(c1)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000374331335 293384632 /nfs/dbraw/zinc/38/46/32/293384632.db2.gz PVNKMAZCQCOOCA-UHFFFAOYSA-N 1 0 324.380 3.398 10 5 DGBERO Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000301984801 433809789 /nfs/dbraw/zinc/80/97/89/433809789.db2.gz CGZMHGVPYLYQTD-AWEZNQCLSA-N 1 0 314.389 3.231 10 5 DGBERO C[C@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C[C@@H]1[NH+](C)C ZINC000302273483 433820347 /nfs/dbraw/zinc/82/03/47/433820347.db2.gz HUWNKFBACGTPRS-UFBFGSQYSA-N 1 0 318.204 3.288 10 5 DGBERO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H](CO)CC1CCCC1 ZINC000509453567 294352802 /nfs/dbraw/zinc/35/28/02/294352802.db2.gz ZJRKIDYAYPGSHB-DXWDOBMASA-N 1 0 304.390 3.139 10 5 DGBERO C[N@H+](CCOc1ccc(F)cc1)CCc1ccccc1[N+](=O)[O-] ZINC000511095564 435313382 /nfs/dbraw/zinc/31/33/82/435313382.db2.gz WMPBYFSTASBZHA-UHFFFAOYSA-N 1 0 318.348 3.287 10 5 DGBERO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)n1 ZINC000176203229 312774118 /nfs/dbraw/zinc/77/41/18/312774118.db2.gz JQERAIBGPHHXCS-OAHLLOKOSA-N 1 0 320.780 3.186 10 5 DGBERO CCC[NH+]1CCC(CNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000301274952 528189227 /nfs/dbraw/zinc/18/92/27/528189227.db2.gz LOQCVTDVKSVJFJ-UHFFFAOYSA-N 1 0 312.801 3.177 10 5 DGBERO C[NH2+][C@@H]1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000234415825 655733553 /nfs/dbraw/zinc/73/35/53/655733553.db2.gz NEDITUIIUPFHMM-MRVPVSSYSA-N 1 0 304.177 3.090 10 5 DGBERO CC(C)C[C@@H](C[NH+](C)C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000037166927 661217626 /nfs/dbraw/zinc/21/76/26/661217626.db2.gz GDZFHCUDRDOPCY-ZDUSSCGKSA-N 1 0 313.829 3.314 10 5 DGBERO C[C@@H]1C[C@H](N(C)Cc2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+]1C ZINC000172847795 659359680 /nfs/dbraw/zinc/35/96/80/659359680.db2.gz FSUFOJQAEKQXDY-DGCLKSJQSA-N 1 0 311.813 3.163 10 5 DGBERO [NH3+]CC[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)c2ccccc21 ZINC000063127309 659369423 /nfs/dbraw/zinc/36/94/23/659369423.db2.gz BNMDHZLWVBGUNE-GFCCVEGCSA-N 1 0 303.387 3.109 10 5 DGBERO C[C@@H]1C[NH+](Cc2cccc([N+](=O)[O-])c2Br)C[C@H]1C ZINC000235371637 1202604426 /nfs/dbraw/zinc/60/44/26/1202604426.db2.gz LNJPIDLSQPAACH-NXEZZACHSA-N 1 0 313.195 3.445 10 5 DGBERO C[C@@H]1[C@@H](Nc2ccncc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000309883242 231108167 /nfs/dbraw/zinc/10/81/67/231108167.db2.gz KGDBLVORHUVZRX-HIFRSBDPSA-N 1 0 312.373 3.065 10 5 DGBERO COc1cc2c(cc1O)[C@H](Cc1ccc(O)cc1)[N+](C)(C)CC2 ZINC000001854468 180899559 /nfs/dbraw/zinc/89/95/59/180899559.db2.gz CLWOXNLVWMXBRD-KRWDZBQOSA-O 1 0 314.405 3.023 10 5 biogenic DGBERO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(Cl)nc1 ZINC000080914276 192200991 /nfs/dbraw/zinc/20/09/91/192200991.db2.gz PMZLONVKIWYKOJ-UHFFFAOYSA-N 1 0 305.765 3.318 10 5 DGBERO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3C[C@H]4CCCC[C@@H]4C3)nc2c1 ZINC000444649443 239312428 /nfs/dbraw/zinc/31/24/28/239312428.db2.gz JLUOHZCYJPNHPK-VXGBXAGGSA-N 1 0 300.362 3.093 10 5 DGBERO C[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]1c1cccc(F)c1 ZINC000246287820 432116677 /nfs/dbraw/zinc/11/66/77/432116677.db2.gz XOHXFHQNNPHPAQ-MLGOLLRUSA-N 1 0 318.352 3.014 10 5 DGBERO C[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000246313522 432118777 /nfs/dbraw/zinc/11/87/77/432118777.db2.gz QZQVFPQAYQJCAT-JEBQAFNWSA-N 1 0 312.369 3.321 10 5 DGBERO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000470952176 244195330 /nfs/dbraw/zinc/19/53/30/244195330.db2.gz BFMJJXWEQPFQGV-GWCFXTLKSA-N 1 0 302.296 3.410 10 5 DGBERO CC(C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000266409276 205326357 /nfs/dbraw/zinc/32/63/57/205326357.db2.gz QLXSGBOOFPQYLJ-LBPRGKRZSA-N 1 0 300.362 3.038 10 5 DGBERO CC(C)[C@@H](C)[NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000016518489 182048549 /nfs/dbraw/zinc/04/85/49/182048549.db2.gz FEONYYWTCYKNIM-NXEZZACHSA-N 1 0 313.785 3.209 10 5 DGBERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000105894950 194160807 /nfs/dbraw/zinc/16/08/07/194160807.db2.gz XTTCYKXZIFEQIE-MRXNPFEDSA-N 1 0 314.389 3.282 10 5 DGBERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000105896454 194162415 /nfs/dbraw/zinc/16/24/15/194162415.db2.gz KDDNDPHHZIJRFO-MRXNPFEDSA-N 1 0 314.389 3.191 10 5 DGBERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000085638211 284807302 /nfs/dbraw/zinc/80/73/02/284807302.db2.gz GYUUCWIFYGRAOY-GFCCVEGCSA-N 1 0 322.409 3.063 10 5 DGBERO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158575092 197284655 /nfs/dbraw/zinc/28/46/55/197284655.db2.gz GKGWBQGWMJORQE-FRFSOERESA-N 1 0 303.406 3.072 10 5 DGBERO CC[N@@H+]1CCC[C@H]1CN(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000123378566 195574844 /nfs/dbraw/zinc/57/48/44/195574844.db2.gz LBEIPCIPWKNQPM-FSNWXROXSA-N 1 0 303.406 3.024 10 5 DGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C2(O)CC2)CC1 ZINC000593647538 400886507 /nfs/dbraw/zinc/88/65/07/400886507.db2.gz ARZOYPSTCJLLIE-SDNWHVSQSA-N 1 0 316.401 3.235 10 5 DGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCN1C(C)(C)C ZINC000594967876 401212608 /nfs/dbraw/zinc/21/26/08/401212608.db2.gz WWBOMVNYBDACHC-IDKBZEPQSA-N 1 0 317.433 3.461 10 5 DGBERO Cc1cc(CC[NH2+]Cc2ccccc2[N+](=O)[O-])cc(C)c1O ZINC000190393439 432152551 /nfs/dbraw/zinc/15/25/51/432152551.db2.gz SOVYLCKHDFBRBE-UHFFFAOYSA-N 1 0 300.358 3.250 10 5 DGBERO C[C@H]1C[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000182213228 432166398 /nfs/dbraw/zinc/16/63/98/432166398.db2.gz KPUMSXHHYIPWPH-WCQYABFASA-N 1 0 311.813 3.163 10 5 DGBERO Cc1nccn1C[C@@H]1CCC[N@H+]1[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000247193075 432211487 /nfs/dbraw/zinc/21/14/87/432211487.db2.gz WQJBPLXMJGRTAZ-DYVFJYSZSA-N 1 0 314.389 3.325 10 5 DGBERO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000076150429 431532244 /nfs/dbraw/zinc/53/22/44/431532244.db2.gz DYTABXKOOGZTOM-NWDGAFQWSA-N 1 0 316.361 3.265 10 5 DGBERO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]2c2ccco2)cc1 ZINC000116296160 431505187 /nfs/dbraw/zinc/50/51/87/431505187.db2.gz ILDSURFWRRDTIG-OAHLLOKOSA-N 1 0 302.330 3.404 10 5 DGBERO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[N@@H+](C3CCCC3)CC2)n1 ZINC000408171461 280398758 /nfs/dbraw/zinc/39/87/58/280398758.db2.gz JYAOXHSLCRAJMZ-UHFFFAOYSA-N 1 0 318.421 3.061 10 5 DGBERO COc1ccc([C@H](CNc2ccccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000025777835 431665084 /nfs/dbraw/zinc/66/50/84/431665084.db2.gz DICASZDMFDONOQ-KRWDZBQOSA-N 1 0 315.373 3.318 10 5 DGBERO COc1cc(NC2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000121221232 431756610 /nfs/dbraw/zinc/75/66/10/431756610.db2.gz QUQDAMJJYQVOAL-UHFFFAOYSA-N 1 0 311.357 3.027 10 5 DGBERO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@@H]1CCCO1 ZINC000128041283 431986337 /nfs/dbraw/zinc/98/63/37/431986337.db2.gz RGFVSYFMNWFBSQ-ZDUSSCGKSA-N 1 0 316.357 3.466 10 5 DGBERO Cc1c(C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)cccc1[N+](=O)[O-] ZINC000128348920 431991974 /nfs/dbraw/zinc/99/19/74/431991974.db2.gz CWXQCZYHCFUXGY-RDJZCZTQSA-N 1 0 314.389 3.373 10 5 DGBERO COc1cccc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173325907 432271328 /nfs/dbraw/zinc/27/13/28/432271328.db2.gz MOGHQEZIBPMJRU-ZDUSSCGKSA-N 1 0 300.358 3.497 10 5 DGBERO Cc1cnn([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)c1 ZINC000183334122 432283861 /nfs/dbraw/zinc/28/38/61/432283861.db2.gz CZEQVPDYGOBHBI-QGZVFWFLSA-N 1 0 314.389 3.245 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@](C)(O)C1CCCCC1 ZINC000191672207 432290730 /nfs/dbraw/zinc/29/07/30/432290730.db2.gz DVTXNVZQGOPXFH-QGZVFWFLSA-N 1 0 306.406 3.324 10 5 DGBERO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000128566744 431996471 /nfs/dbraw/zinc/99/64/71/431996471.db2.gz KMTCGOCQIJOOBF-HOCLYGCPSA-N 1 0 300.362 3.065 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000183577615 432305449 /nfs/dbraw/zinc/30/54/49/432305449.db2.gz XEZBWRDTPDPKDZ-GDBMZVCRSA-N 1 0 322.430 3.048 10 5 DGBERO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCN(CC)C2)cc1[N+](=O)[O-] ZINC000153130619 432385240 /nfs/dbraw/zinc/38/52/40/432385240.db2.gz XENAUHCLDYZCAB-DZGCQCFKSA-N 1 0 321.421 3.128 10 5 DGBERO C[C@@H]([NH2+][C@@H](C)c1cccs1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000192675596 432399423 /nfs/dbraw/zinc/39/94/23/432399423.db2.gz ZSYIDOFGBQKDAF-WDEREUQCSA-N 1 0 319.386 3.334 10 5 DGBERO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000192798569 432417124 /nfs/dbraw/zinc/41/71/24/432417124.db2.gz NIMLWOIQCWZKRI-LLVKDONJSA-N 1 0 319.386 3.336 10 5 DGBERO CCc1ccc([C@@H]2CCCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)o1 ZINC000176262367 432505882 /nfs/dbraw/zinc/50/58/82/432505882.db2.gz XERSWXNIEILRSJ-AWEZNQCLSA-N 1 0 318.377 3.174 10 5 DGBERO C[C@@H]1C[C@@H](N(C)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000154016457 432464355 /nfs/dbraw/zinc/46/43/55/432464355.db2.gz ATSNPRRHYOXJGS-YPMHNXCESA-N 1 0 311.813 3.163 10 5 DGBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3(CCO)CC3)o2)cc1 ZINC000186173991 432565277 /nfs/dbraw/zinc/56/52/77/432565277.db2.gz DXRLCTQIOQEZLM-UHFFFAOYSA-N 1 0 316.357 3.107 10 5 DGBERO C[C@H]1CCC[N@@H+]1C1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000154896183 432526994 /nfs/dbraw/zinc/52/69/94/432526994.db2.gz AXWQPBQSDJYNSX-LBPRGKRZSA-N 1 0 307.369 3.187 10 5 DGBERO CC1(C)CC[C@@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)O1 ZINC000187865980 432689605 /nfs/dbraw/zinc/68/96/05/432689605.db2.gz ZAJHULMAHLMJFC-JKSUJKDBSA-N 1 0 318.417 3.463 10 5 DGBERO CC[C@@H]([NH2+][C@@H]1CCCN(C(C)C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000178674690 432764589 /nfs/dbraw/zinc/76/45/89/432764589.db2.gz MJOKVWQTGLQPRJ-HZPDHXFCSA-N 1 0 319.405 3.035 10 5 DGBERO CC(C)c1noc(CCC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000160815302 432743817 /nfs/dbraw/zinc/74/38/17/432743817.db2.gz FXKWDAZCJMICMN-LBPRGKRZSA-N 1 0 318.377 3.385 10 5 DGBERO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(CC)C2)cc1[N+](=O)[O-] ZINC000245510926 432839215 /nfs/dbraw/zinc/83/92/15/432839215.db2.gz XENAUHCLDYZCAB-UKRRQHHQSA-N 1 0 321.421 3.128 10 5 DGBERO C[C@@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C[C@H]1[NH+](C)C ZINC000302273481 433820506 /nfs/dbraw/zinc/82/05/06/433820506.db2.gz HUWNKFBACGTPRS-PRHODGIISA-N 1 0 318.204 3.288 10 5 DGBERO CC1=CC[N@H+](CCNc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450438113 434179861 /nfs/dbraw/zinc/17/98/61/434179861.db2.gz KSCWWLBUWVJWGZ-UHFFFAOYSA-N 1 0 312.373 3.207 10 5 DGBERO [NH3+]C[C@H]1CC[C@H](Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000382420863 434278667 /nfs/dbraw/zinc/27/86/67/434278667.db2.gz KDYXQAURQWHDSV-YUMQZZPRSA-N 1 0 304.177 3.441 10 5 DGBERO Cc1nc(CN2CCc3c(cccc3[N+](=O)[O-])C2)c(C)s1 ZINC000536004003 435366374 /nfs/dbraw/zinc/36/63/74/435366374.db2.gz WZCYRNZTNSTLOU-UHFFFAOYSA-N 1 0 303.387 3.226 10 5 DGBERO C[C@H]1C[C@H](C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCO1 ZINC000569877733 435569451 /nfs/dbraw/zinc/56/94/51/435569451.db2.gz SOMVOSFXQAPNFP-DZGCQCFKSA-N 1 0 304.390 3.374 10 5 DGBERO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCOCC1CCC1)CCC2 ZINC000570010567 435579691 /nfs/dbraw/zinc/57/96/91/435579691.db2.gz RWMUDDDXBSAVKP-KRWDZBQOSA-N 1 0 304.390 3.379 10 5 DGBERO CC1=CCN(CC[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000545865279 314271439 /nfs/dbraw/zinc/27/14/39/314271439.db2.gz QJOKCLUZAGBDJF-MRXNPFEDSA-N 1 0 317.433 3.158 10 5 DGBERO CC(=O)NC1CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000573829308 315904250 /nfs/dbraw/zinc/90/42/50/315904250.db2.gz WORRJSDCJZREKN-GRTSSRMGSA-N 1 0 319.405 3.001 10 5 DGBERO CC[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000185086282 323380413 /nfs/dbraw/zinc/38/04/13/323380413.db2.gz LBJLTBVOXFQCCK-LLVKDONJSA-N 1 0 307.375 3.171 10 5 DGBERO C[C@@H]([NH3+])[C@@H]1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000235170950 655822333 /nfs/dbraw/zinc/82/23/33/655822333.db2.gz HGTWZFNQZKTVQM-RKDXNWHRSA-N 1 0 318.204 3.465 10 5 DGBERO [NH3+][C@@H]1CC[C@@H]2CN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)C[C@@H]12 ZINC000312656339 656169969 /nfs/dbraw/zinc/16/99/69/656169969.db2.gz GOVPIJACQCJKHW-JWKOBGCHSA-N 1 0 316.188 3.075 10 5 DGBERO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000067175863 1195603028 /nfs/dbraw/zinc/60/30/28/1195603028.db2.gz KVVHLVWUCHNLKS-HNNXBMFYSA-N 1 0 311.385 3.306 10 5 DGBERO O=[N+]([O-])c1ccc(C[NH2+]Cc2cnn(Cc3ccccc3)c2)cc1 ZINC000075781816 1196420922 /nfs/dbraw/zinc/42/09/22/1196420922.db2.gz KCJCQCGWWDJDIJ-UHFFFAOYSA-N 1 0 322.368 3.129 10 5 DGBERO CCOCC(C)(C)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000313722155 1199773078 /nfs/dbraw/zinc/77/30/78/1199773078.db2.gz WMELAZOQNUWZKZ-UHFFFAOYSA-N 1 0 300.786 3.401 10 5 DGBERO C[NH2+]C1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000237171203 529955824 /nfs/dbraw/zinc/95/58/24/529955824.db2.gz MENGQHYQELERBF-UHFFFAOYSA-N 1 0 319.408 3.212 10 5 DGBERO C[C@H]([NH2+]Cc1ccc(CO)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000173347300 186178762 /nfs/dbraw/zinc/17/87/62/186178762.db2.gz FPFVYTAGOHRMKE-NSHDSACASA-N 1 0 304.321 3.077 10 5 DGBERO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccs1 ZINC000179693344 186207037 /nfs/dbraw/zinc/20/70/37/186207037.db2.gz YLDJBKYYXLMOER-JTQLQIEISA-N 1 0 320.370 3.374 10 5 DGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718968 191221890 /nfs/dbraw/zinc/22/18/90/191221890.db2.gz SPVGFGAPGALVRZ-JKSUJKDBSA-N 1 0 317.433 3.464 10 5 DGBERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000180124464 199120624 /nfs/dbraw/zinc/12/06/24/199120624.db2.gz MMXDQGIUVROZHV-MRXNPFEDSA-N 1 0 314.389 3.073 10 5 DGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186844502 200020652 /nfs/dbraw/zinc/02/06/52/200020652.db2.gz XBNHCOIHGJJJHF-ZDUSSCGKSA-N 1 0 322.430 3.254 10 5 DGBERO O=[N+]([O-])c1cccc([C@@H]([NH2+][C@@H]2CCCOC2)c2ccccc2)c1 ZINC000180491696 432088521 /nfs/dbraw/zinc/08/85/21/432088521.db2.gz HYOVXNRTUUWKPP-AEFFLSMTSA-N 1 0 312.369 3.453 10 5 DGBERO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@H]2CCOC2)c2ccccc2)c1 ZINC000490156777 245384250 /nfs/dbraw/zinc/38/42/50/245384250.db2.gz KIBFBDJDVDTQIV-RDTXWAMCSA-N 1 0 312.369 3.310 10 5 DGBERO O=[N+]([O-])c1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cs1 ZINC000246423666 432129113 /nfs/dbraw/zinc/12/91/13/432129113.db2.gz CGSGRTWAFHLXHU-ZFWWWQNUSA-N 1 0 321.446 3.105 10 5 DGBERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000129758280 284422621 /nfs/dbraw/zinc/42/26/21/284422621.db2.gz PXLUAKRVXJFGQY-MMNPAVHPSA-N 1 0 318.417 3.463 10 5 DGBERO O=[N+]([O-])c1cc(CN2CCC[C@H]([NH+]3CCCC3)CC2)cs1 ZINC000157495960 197192005 /nfs/dbraw/zinc/19/20/05/197192005.db2.gz VGZAOCHQHZQDQR-AWEZNQCLSA-N 1 0 309.435 3.107 10 5 DGBERO CC[C@H]([NH2+][C@@H](C)CCn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000158928801 197312297 /nfs/dbraw/zinc/31/22/97/197312297.db2.gz DXSQLKWHPYBHDF-BBRMVZONSA-N 1 0 302.378 3.311 10 5 DGBERO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CC1(CCO)CC1 ZINC000188061725 285162023 /nfs/dbraw/zinc/16/20/23/285162023.db2.gz QMAYDZDNULNAPV-ZBFHGGJFSA-N 1 0 318.417 3.058 10 5 DGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC([C@H](C)O)CC1 ZINC000470171305 533406381 /nfs/dbraw/zinc/40/63/81/533406381.db2.gz IAIQUAAGSBTQDB-UELRPHRMSA-N 1 0 304.390 3.091 10 5 DGBERO Cc1cc(N[C@@H](C)C[C@@H](C)[NH3+])c(Br)cc1[N+](=O)[O-] ZINC000320228753 400163636 /nfs/dbraw/zinc/16/36/36/400163636.db2.gz HFAOINOUHCXNID-BDAKNGLRSA-N 1 0 316.199 3.203 10 5 DGBERO O=[N+]([O-])c1ccc(N2CCC(C[NH+]3CCCCCC3)CC2)cn1 ZINC000609797087 400192123 /nfs/dbraw/zinc/19/21/23/400192123.db2.gz DTDGPBOOLXGAJN-UHFFFAOYSA-N 1 0 318.421 3.082 10 5 DGBERO Cc1cc(NCc2ccc(F)c(C[NH+](C)C)c2)ncc1[N+](=O)[O-] ZINC000074763571 400533680 /nfs/dbraw/zinc/53/36/80/400533680.db2.gz TTZAQLCECXOVCS-UHFFFAOYSA-N 1 0 318.352 3.111 10 5 DGBERO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@H]1CCc3ccccc3C1)CC2 ZINC000612469091 400550608 /nfs/dbraw/zinc/55/06/08/400550608.db2.gz KOKNUKJOJGPFJG-AWEZNQCLSA-N 1 0 323.396 3.153 10 5 DGBERO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCOCC1CCC1)C1CC1 ZINC000613242576 400681112 /nfs/dbraw/zinc/68/11/12/400681112.db2.gz FAUPNCYLXHVKJX-QGZVFWFLSA-N 1 0 318.417 3.322 10 5 DGBERO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000187766527 165102732 /nfs/dbraw/zinc/10/27/32/165102732.db2.gz DVLNNWCESYOASQ-ZBFHGGJFSA-N 1 0 318.352 3.204 10 5 DGBERO O=[N+]([O-])c1cc(CN2CC[NH2+]Cc3ccccc32)ccc1Cl ZINC000262087032 165784277 /nfs/dbraw/zinc/78/42/77/165784277.db2.gz HSCIRPOVFIJHQC-UHFFFAOYSA-N 1 0 317.776 3.358 10 5 DGBERO Cc1cc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc(C)c1O ZINC000190391558 432150653 /nfs/dbraw/zinc/15/06/53/432150653.db2.gz OQBUYFITTCDMML-UHFFFAOYSA-N 1 0 300.358 3.250 10 5 DGBERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000172171008 274254468 /nfs/dbraw/zinc/25/44/68/274254468.db2.gz WRAPGLYGJQSBON-NEPJUHHUSA-N 1 0 305.378 3.090 10 5 DGBERO C[C@@H]([NH2+][C@H](C)C1CCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000172170459 274260242 /nfs/dbraw/zinc/26/02/42/274260242.db2.gz IVIAYVPJVGRVIU-VXGBXAGGSA-N 1 0 305.378 3.090 10 5 DGBERO [NH3+][C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000038050676 274956006 /nfs/dbraw/zinc/95/60/06/274956006.db2.gz HLVWLLNIRXAQSL-ZYHUDNBSSA-N 1 0 303.284 3.295 10 5 DGBERO [NH3+][C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000038050675 274961801 /nfs/dbraw/zinc/96/18/01/274961801.db2.gz HLVWLLNIRXAQSL-JQWIXIFHSA-N 1 0 303.284 3.295 10 5 DGBERO O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000123575987 275039760 /nfs/dbraw/zinc/03/97/60/275039760.db2.gz LSCRTQTYMICRCO-CABCVRRESA-N 1 0 322.430 3.081 10 5 DGBERO CCC[C@H]([NH2+]CCn1cc(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000124025364 431880860 /nfs/dbraw/zinc/88/08/60/431880860.db2.gz RLOFKKXREFQXDY-INIZCTEOSA-N 1 0 302.378 3.231 10 5 DGBERO Cc1c(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000128406215 431993669 /nfs/dbraw/zinc/99/36/69/431993669.db2.gz XMIUFFWVESUOHI-NVXWUHKLSA-N 1 0 304.390 3.030 10 5 DGBERO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000249692980 432353822 /nfs/dbraw/zinc/35/38/22/432353822.db2.gz XOOWINUPVVITSH-IAGOWNOFSA-N 1 0 320.389 3.007 10 5 DGBERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000192678944 432400020 /nfs/dbraw/zinc/40/00/20/432400020.db2.gz QJCPVQNJTRPKIV-MNOVXSKESA-N 1 0 319.386 3.334 10 5 DGBERO C[C@@H]([NH2+][C@H](C)c1cccs1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000192678970 432400400 /nfs/dbraw/zinc/40/04/00/432400400.db2.gz QJCPVQNJTRPKIV-GHMZBOCLSA-N 1 0 319.386 3.334 10 5 DGBERO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000193214324 432457478 /nfs/dbraw/zinc/45/74/78/432457478.db2.gz FJQJFHURKRISRL-LLVKDONJSA-N 1 0 318.295 3.248 10 5 DGBERO Cc1ccc(N2CCC([N@H+]3CCC[C@@H]3C)CC2)c([N+](=O)[O-])c1 ZINC000154942402 432529629 /nfs/dbraw/zinc/52/96/29/432529629.db2.gz VKTVKZYZQKLLLT-AWEZNQCLSA-N 1 0 303.406 3.356 10 5 DGBERO CC[N@@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000194380997 432546979 /nfs/dbraw/zinc/54/69/79/432546979.db2.gz FAIPFCRKTWRLCU-LBPRGKRZSA-N 1 0 300.362 3.039 10 5 DGBERO Cc1c([C@H](C)[NH2+]CCN2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000156621563 432602968 /nfs/dbraw/zinc/60/29/68/432602968.db2.gz NYUMCVGJQVBYQU-ZFWWWQNUSA-N 1 0 305.422 3.428 10 5 DGBERO Cc1ccc([C@H](C)[NH2+]CCN2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000156615550 432603229 /nfs/dbraw/zinc/60/32/29/432603229.db2.gz ZQBHXCBOFSCMSY-GJZGRUSLSA-N 1 0 305.422 3.428 10 5 DGBERO C[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000219171282 432662773 /nfs/dbraw/zinc/66/27/73/432662773.db2.gz HWPTVWCEABTNTR-GFCCVEGCSA-N 1 0 323.393 3.160 10 5 DGBERO CC[C@H]([NH2+][C@@H](C)C(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000178099248 432695038 /nfs/dbraw/zinc/69/50/38/432695038.db2.gz NIPFPMHCAJHTOH-LRDDRELGSA-N 1 0 319.405 3.083 10 5 DGBERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000229596822 432721995 /nfs/dbraw/zinc/72/19/95/432721995.db2.gz OWFWCUYEJBCVEV-WPRPVWTQSA-N 1 0 303.284 3.166 10 5 DGBERO Cc1cc(NC[C@@H]([NH3+])C(C)C)c(Br)cc1[N+](=O)[O-] ZINC000232720335 432737005 /nfs/dbraw/zinc/73/70/05/432737005.db2.gz NHTRMMRBHMDUAK-SNVBAGLBSA-N 1 0 316.199 3.061 10 5 DGBERO C[C@H](Nc1ccc([N+](=O)[O-])nc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450435242 434180985 /nfs/dbraw/zinc/18/09/85/434180985.db2.gz OUTBXPXGOYYIED-STQMWFEESA-N 1 0 304.394 3.055 10 5 DGBERO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCOCC1CCC1)CCC2 ZINC000570010568 435580369 /nfs/dbraw/zinc/58/03/69/435580369.db2.gz RWMUDDDXBSAVKP-QGZVFWFLSA-N 1 0 304.390 3.379 10 5 DGBERO CC[NH+](CC)CC1CCN(c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000549107241 435739620 /nfs/dbraw/zinc/73/96/20/435739620.db2.gz IFQVEMMGFLLWIS-UHFFFAOYSA-N 1 0 305.422 3.461 10 5 DGBERO CCO[C@@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C12CCCC2 ZINC000583030557 324304787 /nfs/dbraw/zinc/30/47/87/324304787.db2.gz QRMYEBLAWISQRU-QWHCGFSZSA-N 1 0 310.419 3.484 10 5 DGBERO CC(C)(CO)[NH2+]C[C@H](O)c1ccc2ccc3ccccc3c2c1 ZINC000584631905 337377030 /nfs/dbraw/zinc/37/70/30/337377030.db2.gz ZPCFNWZIKKUPLH-IBGZPJMESA-N 1 0 309.409 3.387 10 5 DGBERO C[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCCC1 ZINC000184637791 533941153 /nfs/dbraw/zinc/94/11/53/533941153.db2.gz VYWGSIYGAXMRQL-NSHDSACASA-N 1 0 316.361 3.313 10 5 DGBERO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CCSC2)c(Cl)c1 ZINC000704919567 660826442 /nfs/dbraw/zinc/82/64/42/660826442.db2.gz TWQLQHBAYCBKIQ-JTQLQIEISA-N 1 0 300.811 3.481 10 5 DGBERO C[C@H]1C[C@@H](C[NH3+])CN1c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000235668767 655922741 /nfs/dbraw/zinc/92/27/41/655922741.db2.gz VAFYKFMPUWJFAX-YUMQZZPRSA-N 1 0 304.177 3.075 10 5 DGBERO CN(CC(C)(C)C[NH3+])c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000093874705 656416643 /nfs/dbraw/zinc/41/66/43/656416643.db2.gz SXNXHOSXWWGQNL-UHFFFAOYSA-N 1 0 305.300 3.035 10 5 DGBERO CN(Cc1ccccc1[N+](=O)[O-])C[C@H](O)c1ccccc1Cl ZINC000046054150 659071084 /nfs/dbraw/zinc/07/10/84/659071084.db2.gz SEVUWBNXLNICOS-INIZCTEOSA-N 1 0 320.776 3.414 10 5 DGBERO C[C@@H]1[NH2+]CCC[C@H]1Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000229597025 659271851 /nfs/dbraw/zinc/27/18/51/659271851.db2.gz OYUBHAMJGCLABX-GZMMTYOYSA-N 1 0 303.284 3.166 10 5 DGBERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000092628272 662333468 /nfs/dbraw/zinc/33/34/68/662333468.db2.gz HPQHCLXSXOAXGT-ZDUSSCGKSA-N 1 0 311.813 3.164 10 5 DGBERO C[C@H]1C[NH+](Cc2cccc([N+](=O)[O-])c2Br)C[C@@H]1C ZINC000235668763 1202604699 /nfs/dbraw/zinc/60/46/99/1202604699.db2.gz LNJPIDLSQPAACH-UWVGGRQHSA-N 1 0 313.195 3.445 10 5 DGBERO CC[C@@H](C)C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162170689 1203351922 /nfs/dbraw/zinc/35/19/22/1203351922.db2.gz XNNXAOJEWXTZCY-SECBINFHSA-N 1 0 301.184 3.493 10 5 DGBERO Cc1c([C@H](C)[NH2+][C@H]2CN(C(C)C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000181282422 199275747 /nfs/dbraw/zinc/27/57/47/199275747.db2.gz LNLBKCSAPGHWJF-NOLJZWGESA-N 1 0 305.422 3.283 10 5 DGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)CC[C@@H]1C ZINC000072897252 191249587 /nfs/dbraw/zinc/24/95/87/191249587.db2.gz NEZNZFMAZVEVLP-OCCSQVGLSA-N 1 0 319.405 3.352 10 5 DGBERO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](C)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000072897159 191249631 /nfs/dbraw/zinc/24/96/31/191249631.db2.gz CEWYYWYRDBXMBJ-STQMWFEESA-N 1 0 319.405 3.352 10 5 DGBERO CC(CO)(CO)[NH2+]Cc1cc2cccc3ccc4cccc1c4c32 ZINC000005302065 181227843 /nfs/dbraw/zinc/22/78/43/181227843.db2.gz OSEYMSIUTZBMOP-UHFFFAOYSA-N 1 0 319.404 3.417 10 5 DGBERO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000184665170 199748334 /nfs/dbraw/zinc/74/83/34/199748334.db2.gz RKYJVBVTIODWNL-GFCCVEGCSA-N 1 0 305.378 3.092 10 5 DGBERO CC[NH2+]Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000237088637 202150077 /nfs/dbraw/zinc/15/00/77/202150077.db2.gz XQMHSDUYUTYOEV-UHFFFAOYSA-N 1 0 319.386 3.327 10 5 DGBERO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246198187 432105482 /nfs/dbraw/zinc/10/54/82/432105482.db2.gz NELZBYLQLQKFTR-CABCVRRESA-N 1 0 303.406 3.074 10 5 DGBERO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000470955782 244199692 /nfs/dbraw/zinc/19/96/92/244199692.db2.gz OOYBXVWOCHPONP-GWCFXTLKSA-N 1 0 318.295 3.246 10 5 DGBERO Cc1cccc(NC[C@@H]2CCN(c3ccccc3[N+](=O)[O-])C2)[nH+]1 ZINC000171365651 432126885 /nfs/dbraw/zinc/12/68/85/432126885.db2.gz OMLSYDHWACLDKB-AWEZNQCLSA-N 1 0 312.373 3.237 10 5 DGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(n2ccnc2)CC1 ZINC000109796589 194286888 /nfs/dbraw/zinc/28/68/88/194286888.db2.gz AZKQGLYXYAAEHG-CYBMUJFWSA-N 1 0 300.362 3.189 10 5 DGBERO COc1cc(C[NH2+]CCC2=CCCC2)c([N+](=O)[O-])cc1OC ZINC000120158589 195107757 /nfs/dbraw/zinc/10/77/57/195107757.db2.gz ZMCQGDYVDIKITN-UHFFFAOYSA-N 1 0 306.362 3.202 10 5 DGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000470181810 533407870 /nfs/dbraw/zinc/40/78/70/533407870.db2.gz HDHZTLGEYDYRCA-SOOMZGJCSA-N 1 0 317.433 3.413 10 5 DGBERO CC(C)(C)Oc1cc(N2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000611203256 400358194 /nfs/dbraw/zinc/35/81/94/400358194.db2.gz KHVGXVIJSDTJRR-AWEZNQCLSA-N 1 0 319.405 3.057 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)C(C)(C)C ZINC000074317320 400504938 /nfs/dbraw/zinc/50/49/38/400504938.db2.gz BMAUWFLCANZEBP-GFCCVEGCSA-N 1 0 307.394 3.256 10 5 DGBERO CC(C)CC[C@@](C)(O)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000124017649 400473236 /nfs/dbraw/zinc/47/32/36/400473236.db2.gz SIDMQBSXRMEHIE-DBWMJRBXSA-N 1 0 306.406 3.385 10 5 DGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCOC1(C)C ZINC000594993471 401222283 /nfs/dbraw/zinc/22/22/83/401222283.db2.gz ABSQVPZSKLESCR-BMQCOBNYSA-N 1 0 304.390 3.403 10 5 DGBERO COc1ccc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000136717651 432160888 /nfs/dbraw/zinc/16/08/88/432160888.db2.gz KPMBHQHRRDXVOW-CQSZACIVSA-N 1 0 320.389 3.185 10 5 DGBERO O=[N+]([O-])c1ccc(CN2CCC([NH+]3CCCC3)CC2)c(Cl)c1 ZINC000182066239 432156426 /nfs/dbraw/zinc/15/64/26/432156426.db2.gz NOFMAKPBTHVYKM-UHFFFAOYSA-N 1 0 323.824 3.308 10 5 DGBERO Cc1c([C@@H](C)[NH2+]CCN2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000247063975 432197951 /nfs/dbraw/zinc/19/79/51/432197951.db2.gz NYUMCVGJQVBYQU-UKRRQHHQSA-N 1 0 305.422 3.428 10 5 DGBERO CC[N@@H+]1CCC[C@@H]1CN(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000123378333 431863326 /nfs/dbraw/zinc/86/33/26/431863326.db2.gz LBEIPCIPWKNQPM-YXMGTMDOSA-N 1 0 303.406 3.024 10 5 DGBERO O=[N+]([O-])c1ccc2sc(SC[C@H]3CCC[NH2+]C3)nc2c1 ZINC000095092256 431922240 /nfs/dbraw/zinc/92/22/40/431922240.db2.gz KLGKYRFJXWLWQM-VIFPVBQESA-N 1 0 309.416 3.296 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000183372734 432286811 /nfs/dbraw/zinc/28/68/11/432286811.db2.gz FSWGKHRUZLXOEC-CQSZACIVSA-N 1 0 320.389 3.067 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@](C)(O)C1CCCCC1 ZINC000191672191 432290311 /nfs/dbraw/zinc/29/03/11/432290311.db2.gz DVTXNVZQGOPXFH-KRWDZBQOSA-N 1 0 306.406 3.324 10 5 DGBERO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000183154623 432263621 /nfs/dbraw/zinc/26/36/21/432263621.db2.gz XRUBNQBUGFODBY-SWLSCSKDSA-N 1 0 308.378 3.039 10 5 DGBERO Cc1c(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000248056080 432266643 /nfs/dbraw/zinc/26/66/43/432266643.db2.gz XMIUFFWVESUOHI-DOTOQJQBSA-N 1 0 304.390 3.030 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248666317 432311797 /nfs/dbraw/zinc/31/17/97/432311797.db2.gz WNZQKYDUOOSPFD-RDJZCZTQSA-N 1 0 304.390 3.030 10 5 DGBERO CC[NH+](CC)[C@H](C)CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000178339232 432721982 /nfs/dbraw/zinc/72/19/82/432721982.db2.gz IJPUKPUFRUNPPL-SNVBAGLBSA-N 1 0 317.336 3.338 10 5 DGBERO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000178670500 432764185 /nfs/dbraw/zinc/76/41/85/432764185.db2.gz SJHLZOSWKCSODU-MLGOLLRUSA-N 1 0 321.421 3.329 10 5 DGBERO C[NH+](C)C1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000301336904 433515080 /nfs/dbraw/zinc/51/50/80/433515080.db2.gz DIHLATAUVZLSFB-UHFFFAOYSA-N 1 0 317.311 3.144 10 5 DGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CC=C(C)CC1 ZINC000468623189 435128301 /nfs/dbraw/zinc/12/83/01/435128301.db2.gz XSUWUSCXRLNYMJ-VBKFSLOCSA-N 1 0 315.417 3.240 10 5 DGBERO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1(CCO)CCCCC1 ZINC000538410451 435500742 /nfs/dbraw/zinc/50/07/42/435500742.db2.gz VSOXJZJMGYASQA-SOFGYWHQSA-N 1 0 304.390 3.283 10 5 DGBERO CC[NH+](CC)CC1CCN(c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000547957894 314408150 /nfs/dbraw/zinc/40/81/50/314408150.db2.gz FIEFVGPTLKTBNH-UHFFFAOYSA-N 1 0 305.422 3.461 10 5 DGBERO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(-n2ccnn2)cc1 ZINC000182043680 323280991 /nfs/dbraw/zinc/28/09/91/323280991.db2.gz ATXLBHFCZKHTOE-CYBMUJFWSA-N 1 0 323.356 3.026 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000183363456 323335361 /nfs/dbraw/zinc/33/53/61/323335361.db2.gz AFMNMZZJOXJMQP-AEFFLSMTSA-N 1 0 317.433 3.350 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@](C)(CO)C1CCCCC1 ZINC000183480865 323340096 /nfs/dbraw/zinc/34/00/96/323340096.db2.gz LQRQBPOELXYHNC-KRWDZBQOSA-N 1 0 306.406 3.324 10 5 DGBERO CCn1cc(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000160465739 523357999 /nfs/dbraw/zinc/35/79/99/523357999.db2.gz ZSGJTJPMMGJJIH-UHFFFAOYSA-N 1 0 314.389 3.191 10 5 DGBERO [NH3+][C@@H]1CC[C@H]2CN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)C[C@@H]12 ZINC000312656342 656167656 /nfs/dbraw/zinc/16/76/56/656167656.db2.gz GOVPIJACQCJKHW-LPBBDHJYSA-N 1 0 316.188 3.075 10 5 DGBERO COCC(C)(C)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000718697397 662260309 /nfs/dbraw/zinc/26/03/09/662260309.db2.gz XDMOEUIAVHUSNE-UHFFFAOYSA-N 1 0 300.786 3.401 10 5 DGBERO O=[N+]([O-])c1cccc(CN2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000107697149 432037169 /nfs/dbraw/zinc/03/71/69/432037169.db2.gz CMCVMAKKNYLGGZ-KRWDZBQOSA-N 1 0 303.406 3.045 10 5 DGBERO C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc([N+](=O)[O-])cc1 ZINC000131793900 432038686 /nfs/dbraw/zinc/03/86/86/432038686.db2.gz JCCKBLYOVFDCOX-IICXIOTHSA-N 1 0 303.406 3.261 10 5 DGBERO CC[C@H](NC(=O)CCCCCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000236992157 202111888 /nfs/dbraw/zinc/11/18/88/202111888.db2.gz QMUPGIYXNWPRHO-HNNXBMFYSA-N 1 0 307.394 3.071 10 5 DGBERO O=[N+]([O-])c1cccc([C@H]([NH2+][C@H]2CCCOC2)c2ccccc2)c1 ZINC000180491748 432088634 /nfs/dbraw/zinc/08/86/34/432088634.db2.gz HYOVXNRTUUWKPP-FUHWJXTLSA-N 1 0 312.369 3.453 10 5 DGBERO C[C@H](CNc1ncc(Cl)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000434950187 238258624 /nfs/dbraw/zinc/25/86/24/238258624.db2.gz GZQWPPMEEBPVJU-GHMZBOCLSA-N 1 0 312.801 3.318 10 5 DGBERO O=C(CC[NH2+][C@H]1CCC12CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000451458719 241130439 /nfs/dbraw/zinc/13/04/39/241130439.db2.gz OZDKRODYXJPOJJ-HNNXBMFYSA-N 1 0 317.389 3.236 10 5 DGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CCCC[C@H]1C ZINC000468637537 244055804 /nfs/dbraw/zinc/05/58/04/244055804.db2.gz JJZGEDSFZHBPNF-RTYFKUQISA-N 1 0 317.433 3.462 10 5 DGBERO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000246352592 432121670 /nfs/dbraw/zinc/12/16/70/432121670.db2.gz WFRXJXUIGRLSET-SJLPKXTDSA-N 1 0 312.369 3.118 10 5 DGBERO CC(C)[C@H](C)[NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000016518490 182048413 /nfs/dbraw/zinc/04/84/13/182048413.db2.gz FEONYYWTCYKNIM-VHSXEESVSA-N 1 0 313.785 3.209 10 5 DGBERO CC[C@@H]([NH2+]CC(=O)NCCC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181533725 432133665 /nfs/dbraw/zinc/13/36/65/432133665.db2.gz MTYJLMJEBRGGHW-OAHLLOKOSA-N 1 0 321.421 3.188 10 5 DGBERO CC[NH2+][C@@H](C)CCc1ccc([N+](=O)[O-])cc1Br ZINC000037948141 182941841 /nfs/dbraw/zinc/94/18/41/182941841.db2.gz OMOZOZGOTVCNDM-VIFPVBQESA-N 1 0 301.184 3.288 10 5 DGBERO CC[C@@H](CCc1ccc([N+](=O)[O-])cc1Br)[NH2+]C ZINC000037948675 182942182 /nfs/dbraw/zinc/94/21/82/182942182.db2.gz WVWHVMBBVPAQJF-JTQLQIEISA-N 1 0 301.184 3.288 10 5 DGBERO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000269055363 207204919 /nfs/dbraw/zinc/20/49/19/207204919.db2.gz SCHBZGAQHGMPPT-CKEIUWERSA-N 1 0 304.390 3.283 10 5 DGBERO CCOc1cc(N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000092656916 400190260 /nfs/dbraw/zinc/19/02/60/400190260.db2.gz UUXHIBBOXDTIES-HIFRSBDPSA-N 1 0 321.421 3.160 10 5 DGBERO CCOc1cc(N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000092656917 400190395 /nfs/dbraw/zinc/19/03/95/400190395.db2.gz UUXHIBBOXDTIES-UKRRQHHQSA-N 1 0 321.421 3.160 10 5 DGBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](C)c1ccncc1 ZINC000610517781 400269259 /nfs/dbraw/zinc/26/92/59/400269259.db2.gz QUPFUKOCKUCAFZ-ZDUSSCGKSA-N 1 0 315.373 3.282 10 5 DGBERO COC1=C(c2ccc([N+](=O)[O-])c(OC(C)C)c2)CC[N@H+](C)C1 ZINC000215975240 400948823 /nfs/dbraw/zinc/94/88/23/400948823.db2.gz HPBOIYVWGLCJBL-UHFFFAOYSA-N 1 0 306.362 3.075 10 5 DGBERO CC(=O)c1ccc(NCC[N@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000079914507 400906447 /nfs/dbraw/zinc/90/64/47/400906447.db2.gz WWNAJLOCNHSEST-GFCCVEGCSA-N 1 0 305.378 3.084 10 5 DGBERO CC[C@@H]([NH2+]CCN1CC=C(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000358216763 286000049 /nfs/dbraw/zinc/00/00/49/286000049.db2.gz ANRJTXQVHXGUFC-QGZVFWFLSA-N 1 0 303.406 3.288 10 5 DGBERO C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)C(C)(C)C[NH+](C)C ZINC000085688195 401173689 /nfs/dbraw/zinc/17/36/89/401173689.db2.gz VNFOTDZUVGUNSE-VIFPVBQESA-N 1 0 300.790 3.031 10 5 DGBERO C[C@H](CSc1ccc(Br)cc1[N+](=O)[O-])[NH+](C)C ZINC000358850053 286169166 /nfs/dbraw/zinc/16/91/66/286169166.db2.gz FYKJYNLACSJNEI-MRVPVSSYSA-N 1 0 319.224 3.400 10 5 DGBERO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2Cc3ccccc3C3(CC3)C2)c1 ZINC000186222247 165033758 /nfs/dbraw/zinc/03/37/58/165033758.db2.gz HAKUQSDEMYKBHR-SFHVURJKSA-N 1 0 324.380 3.176 10 5 DGBERO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150836517 432195320 /nfs/dbraw/zinc/19/53/20/432195320.db2.gz NELZBYLQLQKFTR-HUUCEWRRSA-N 1 0 303.406 3.074 10 5 DGBERO Cc1ccc([C@H](C)[NH2+]C[C@H](O)CC2CCCC2)cc1[N+](=O)[O-] ZINC000191062682 432215342 /nfs/dbraw/zinc/21/53/42/432215342.db2.gz RFDLBQQXBCYRSP-XJKSGUPXSA-N 1 0 306.406 3.495 10 5 DGBERO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c(Cl)c1 ZINC000128512471 227009316 /nfs/dbraw/zinc/00/93/16/227009316.db2.gz OERRFIXYULUQPN-CZUORRHYSA-N 1 0 324.808 3.375 10 5 DGBERO O=[N+]([O-])c1cccc([C@H]([NH2+][C@@H]2CCCOC2)c2ccccc2)c1 ZINC000180491713 263574265 /nfs/dbraw/zinc/57/42/65/263574265.db2.gz HYOVXNRTUUWKPP-SJLPKXTDSA-N 1 0 312.369 3.453 10 5 DGBERO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH+]3CCCCCC3)C2)cc1 ZINC000301997512 275036204 /nfs/dbraw/zinc/03/62/04/275036204.db2.gz UJYDNFXNJQRCLE-QGZVFWFLSA-N 1 0 303.406 3.440 10 5 DGBERO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1CCCO1 ZINC000128025502 431986364 /nfs/dbraw/zinc/98/63/64/431986364.db2.gz DRBXKLKRMWBATI-HNNXBMFYSA-N 1 0 316.357 3.466 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000183349567 432285448 /nfs/dbraw/zinc/28/54/48/432285448.db2.gz LQDRJNVLDFBBAI-INIZCTEOSA-N 1 0 300.362 3.354 10 5 DGBERO Cc1cc([C@](C)(O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)c(C)o1 ZINC000183482879 432296873 /nfs/dbraw/zinc/29/68/73/432296873.db2.gz JVJOOSPNNTTZNH-QGZVFWFLSA-N 1 0 318.373 3.110 10 5 DGBERO CC[C@H]([NH2+]C1CCC(C(=O)OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000192444267 432374960 /nfs/dbraw/zinc/37/49/60/432374960.db2.gz DSJKQPGSUYIBNO-PXCJXSSVSA-N 1 0 320.389 3.367 10 5 DGBERO CCc1ccc([C@@H]2CCCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)o1 ZINC000174874093 432375232 /nfs/dbraw/zinc/37/52/32/432375232.db2.gz BEQXODAWOYAHQL-HNNXBMFYSA-N 1 0 318.377 3.174 10 5 DGBERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000192675586 432400378 /nfs/dbraw/zinc/40/03/78/432400378.db2.gz ZSYIDOFGBQKDAF-MNOVXSKESA-N 1 0 319.386 3.334 10 5 DGBERO CCc1ccc([C@H]2CCCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)o1 ZINC000176262387 432505848 /nfs/dbraw/zinc/50/58/48/432505848.db2.gz XERSWXNIEILRSJ-CQSZACIVSA-N 1 0 318.377 3.174 10 5 DGBERO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cnc(-c3ccccc3)[nH]2)cc1 ZINC000176835263 432556533 /nfs/dbraw/zinc/55/65/33/432556533.db2.gz JDLGNDDJLJPBSL-UHFFFAOYSA-N 1 0 322.368 3.317 10 5 DGBERO CC(C)[N@@+]1(C)[C@@H]2CC[C@H]1C[C@@H](C(=O)[C@H](CO)c1ccccc1)C2 ZINC000263583935 432559656 /nfs/dbraw/zinc/55/96/56/432559656.db2.gz FPHNWKCKNIVGKU-TWHPPBISSA-N 1 0 316.465 3.128 10 5 DGBERO CC[N@@H+]1CCC[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000194380642 432546871 /nfs/dbraw/zinc/54/68/71/432546871.db2.gz USLJODVOBBXYOU-LBPRGKRZSA-N 1 0 300.362 3.039 10 5 DGBERO Clc1ccccc1-c1csc(C[N+]23CCN(CC2)CC3)n1 ZINC000186861671 432633351 /nfs/dbraw/zinc/63/33/51/432633351.db2.gz LDPCSRDSDQITSR-UHFFFAOYSA-N 1 0 320.869 3.110 10 5 DGBERO CC1(C)CC[C@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)O1 ZINC000187865952 432689443 /nfs/dbraw/zinc/68/94/43/432689443.db2.gz ZAJHULMAHLMJFC-HZPDHXFCSA-N 1 0 318.417 3.463 10 5 DGBERO Cc1c(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000178523323 432747515 /nfs/dbraw/zinc/74/75/15/432747515.db2.gz PDYVCPNPVQAPOP-CQSZACIVSA-N 1 0 320.389 3.067 10 5 DGBERO CCOc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000245510561 432838813 /nfs/dbraw/zinc/83/88/13/432838813.db2.gz WOYLCMRQYPNCFT-QEJZJMRPSA-N 1 0 322.405 3.195 10 5 DGBERO O=C(CC[N@@H+]1CCCC12CCC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000373102486 433092091 /nfs/dbraw/zinc/09/20/91/433092091.db2.gz AEZDTFUOKVNZEC-UHFFFAOYSA-N 1 0 321.352 3.081 10 5 DGBERO CC(C)C[N@@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000301776653 433720392 /nfs/dbraw/zinc/72/03/92/433720392.db2.gz OPMBIPVRAFSBAN-LLVKDONJSA-N 1 0 312.801 3.176 10 5 DGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC2(C1)CCOCC2 ZINC000459625331 434634869 /nfs/dbraw/zinc/63/48/69/434634869.db2.gz UTXIVXSPKLNXAU-ZROIWOOFSA-N 1 0 302.374 3.111 10 5 DGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCOCC1CCC1 ZINC000574130483 434952768 /nfs/dbraw/zinc/95/27/68/434952768.db2.gz PWNNWOOERZVSRB-GXDHUFHOSA-N 1 0 304.390 3.404 10 5 DGBERO O=[N+]([O-])c1ccn(CC[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)n1 ZINC000176203241 312773870 /nfs/dbraw/zinc/77/38/70/312773870.db2.gz JQERAIBGPHHXCS-HNNXBMFYSA-N 1 0 320.780 3.186 10 5 DGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN1CC=C(C)CC1 ZINC000545868642 314271051 /nfs/dbraw/zinc/27/10/51/314271051.db2.gz WIBDAKFAQSKMCM-HNNXBMFYSA-N 1 0 303.406 3.206 10 5 DGBERO O=[N+]([O-])c1ccc(NC2CC[NH+](CC3CCCC3)CC2)cn1 ZINC000564163751 315160358 /nfs/dbraw/zinc/16/03/58/315160358.db2.gz DQDKHYIKKIPRHU-UHFFFAOYSA-N 1 0 304.394 3.056 10 5 DGBERO CCC[N@@H+]1CCC[C@H]1c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000443102372 528236944 /nfs/dbraw/zinc/23/69/44/528236944.db2.gz OOYCZPMVMKBREZ-ZDUSSCGKSA-N 1 0 302.334 3.192 10 5 DGBERO C[C@@H]1CC[C@H](C)[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128760623 625200172 /nfs/dbraw/zinc/20/01/72/625200172.db2.gz DMNZUSIAUQPOAI-NEPJUHHUSA-N 1 0 323.368 3.183 10 5 DGBERO [NH3+]CC[C@@H]1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000236182180 655948195 /nfs/dbraw/zinc/94/81/95/655948195.db2.gz XKZMDRHIPFWAPE-VIFPVBQESA-N 1 0 318.204 3.467 10 5 DGBERO CC[N@H+](CCc1nccs1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000179036609 657431290 /nfs/dbraw/zinc/43/12/90/657431290.db2.gz YFLDUPKXUULVKX-UHFFFAOYSA-N 1 0 309.366 3.255 10 5 DGBERO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@@H+]2C2CCCCC2)cn1 ZINC000435593232 238323384 /nfs/dbraw/zinc/32/33/84/238323384.db2.gz PMTVKXQGHWDJEL-OAHLLOKOSA-N 1 0 304.394 3.199 10 5 DGBERO CC(C)(C)[C@H](O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543468 241163582 /nfs/dbraw/zinc/16/35/82/241163582.db2.gz BWSSDQXSQIUCIO-GDBMZVCRSA-N 1 0 306.406 3.181 10 5 DGBERO CC[N@H+](CCc1nccs1)CCc1ccc([N+](=O)[O-])cc1 ZINC000159160195 197332229 /nfs/dbraw/zinc/33/22/29/197332229.db2.gz UCMWREXUASGLIP-UHFFFAOYSA-N 1 0 305.403 3.158 10 5 DGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(CCO)CCC1 ZINC000344976782 254320439 /nfs/dbraw/zinc/32/04/39/254320439.db2.gz JNERINZFUJVYJN-UVTDQMKNSA-N 1 0 304.390 3.140 10 5 DGBERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000120711313 195222277 /nfs/dbraw/zinc/22/22/77/195222277.db2.gz ZDCLLHMDZSCQOY-NWDGAFQWSA-N 1 0 316.405 3.227 10 5 DGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000470173583 533383355 /nfs/dbraw/zinc/38/33/55/533383355.db2.gz CYYADEYOGJCEKM-BLSFAOBESA-N 1 0 315.417 3.167 10 5 DGBERO OC[C@@H](O)C[NH2+]Cc1ccc2ccc3cccc4ccc1c2c34 ZINC000584614595 400086174 /nfs/dbraw/zinc/08/61/74/400086174.db2.gz RRROFOSTWMHDMA-KRWDZBQOSA-N 1 0 305.377 3.027 10 5 DGBERO Cc1cc(N[C@H](C)C[C@@H](C)[NH3+])c(Br)cc1[N+](=O)[O-] ZINC000320228760 400163662 /nfs/dbraw/zinc/16/36/62/400163662.db2.gz HFAOINOUHCXNID-RKDXNWHRSA-N 1 0 316.199 3.203 10 5 DGBERO O=[N+]([O-])c1ccccc1Nc1cnn(CC[NH+]2CCCCC2)c1 ZINC000092978342 400218643 /nfs/dbraw/zinc/21/86/43/400218643.db2.gz PEAMAFQUWYQSQH-UHFFFAOYSA-N 1 0 315.377 3.021 10 5 DGBERO Cc1cc(N2CCC[C@H]([NH+]3CCCCCC3)C2)ncc1[N+](=O)[O-] ZINC000074749501 400532862 /nfs/dbraw/zinc/53/28/62/400532862.db2.gz UWGOTLFOMLSNIN-HNNXBMFYSA-N 1 0 318.421 3.143 10 5 DGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCn2cc(C)nc2C1 ZINC000615837684 401161212 /nfs/dbraw/zinc/16/12/12/401161212.db2.gz XGPLIMQVCUASCO-MDWZMJQESA-N 1 0 312.373 3.019 10 5 DGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCn2cc(C)nc2C1 ZINC000615837678 401161345 /nfs/dbraw/zinc/16/13/45/401161345.db2.gz XGPLIMQVCUASCO-JYRVWZFOSA-N 1 0 312.373 3.019 10 5 DGBERO Cc1ccc([C@@H](C)[NH2+]CCN2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000247250543 432214276 /nfs/dbraw/zinc/21/42/76/432214276.db2.gz ZQBHXCBOFSCMSY-HUUCEWRRSA-N 1 0 305.422 3.428 10 5 DGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[N@@H+](C2CC2)CC1 ZINC000182716129 432220971 /nfs/dbraw/zinc/22/09/71/432220971.db2.gz MXNCINUTUJKQKG-CQSZACIVSA-N 1 0 303.406 3.134 10 5 DGBERO CC[N@H+](C)[C@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000302837508 276078708 /nfs/dbraw/zinc/07/87/08/276078708.db2.gz XPIXOJAZQQUKKO-VIFPVBQESA-N 1 0 318.204 3.432 10 5 DGBERO COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2)[NH+](C)C)cc1 ZINC000068838133 431145394 /nfs/dbraw/zinc/14/53/94/431145394.db2.gz RWJSYDKYOIJLOU-QGZVFWFLSA-N 1 0 315.373 3.318 10 5 DGBERO C[C@H]1C[C@H](N(C)Cc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123396892 431864364 /nfs/dbraw/zinc/86/43/64/431864364.db2.gz YXWUNAVUZAUUJP-SMDDNHRTSA-N 1 0 311.813 3.163 10 5 DGBERO O=[N+]([O-])c1ccc2sc(OCCC[C@H]3CCC[NH2+]C3)nc2c1 ZINC000095092087 431922015 /nfs/dbraw/zinc/92/20/15/431922015.db2.gz PBIYQHODHVZCQN-LLVKDONJSA-N 1 0 321.402 3.363 10 5 DGBERO O=[N+]([O-])c1ccc2sc(SCC3CC[NH2+]CC3)nc2c1 ZINC000095092259 431922197 /nfs/dbraw/zinc/92/21/97/431922197.db2.gz DNWUQKBGTATHNM-UHFFFAOYSA-N 1 0 309.416 3.296 10 5 DGBERO O=[N+]([O-])c1ccc2sc(SC[C@@H]3CCCC[NH2+]3)nc2c1 ZINC000095092251 431922401 /nfs/dbraw/zinc/92/24/01/431922401.db2.gz HDJZPSDRRAMZAQ-VIFPVBQESA-N 1 0 309.416 3.439 10 5 DGBERO CC(C)c1noc(CCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000173377149 432274442 /nfs/dbraw/zinc/27/44/42/432274442.db2.gz MCLIZKYERDPVRQ-LBPRGKRZSA-N 1 0 318.377 3.385 10 5 DGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248170120 432275059 /nfs/dbraw/zinc/27/50/59/432275059.db2.gz UPDIYJGJABLBEB-UKPHBRMFSA-N 1 0 304.390 3.283 10 5 DGBERO CCC[NH+]1CCC(N(C)Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183292889 432280188 /nfs/dbraw/zinc/28/01/88/432280188.db2.gz BNDMZMWJVGLBPD-UHFFFAOYSA-N 1 0 305.422 3.209 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1CN1CCCC[C@H]1c1ncc[nH]1 ZINC000183310955 432282719 /nfs/dbraw/zinc/28/27/19/432282719.db2.gz VFZNRFIFYZTPRO-HNNXBMFYSA-N 1 0 300.362 3.354 10 5 DGBERO Cc1cc([C@@](C)(O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)c(C)o1 ZINC000183482859 432297189 /nfs/dbraw/zinc/29/71/89/432297189.db2.gz JVJOOSPNNTTZNH-KRWDZBQOSA-N 1 0 318.373 3.110 10 5 DGBERO Cc1c(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000128406449 431993948 /nfs/dbraw/zinc/99/39/48/431993948.db2.gz XMIUFFWVESUOHI-WBVHZDCISA-N 1 0 304.390 3.030 10 5 DGBERO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000248630575 432308322 /nfs/dbraw/zinc/30/83/22/432308322.db2.gz PALBVRRYWHVXEW-WMLDXEAASA-N 1 0 305.422 3.065 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@](C)(O)c1ccc(F)cc1 ZINC000183634492 432311437 /nfs/dbraw/zinc/31/14/37/432311437.db2.gz DELSUSJCINLBFK-KRWDZBQOSA-N 1 0 318.348 3.040 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)CC[C@@H]1C ZINC000174009522 432314014 /nfs/dbraw/zinc/31/40/14/432314014.db2.gz WIGXDYUHQKEJAE-JSGCOSHPSA-N 1 0 319.405 3.352 10 5 DGBERO CCOc1ccc([C@H](C)[NH2+][C@H]2CCCN(CC)C2)cc1[N+](=O)[O-] ZINC000153130499 432385224 /nfs/dbraw/zinc/38/52/24/432385224.db2.gz XENAUHCLDYZCAB-ZFWWWQNUSA-N 1 0 321.421 3.128 10 5 DGBERO C[C@@H]1C[C@H](N(C)C/C=C\c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000255162974 432407891 /nfs/dbraw/zinc/40/78/91/432407891.db2.gz FMDWXMXQVFURNA-CSVMTYNTSA-N 1 0 303.406 3.023 10 5 DGBERO C[C@@H]1C[C@@H](N(C)C/C=C\c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000255162972 432408191 /nfs/dbraw/zinc/40/81/91/432408191.db2.gz FMDWXMXQVFURNA-CSVGXABCSA-N 1 0 303.406 3.023 10 5 DGBERO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000184665148 432417676 /nfs/dbraw/zinc/41/76/76/432417676.db2.gz RKYJVBVTIODWNL-LBPRGKRZSA-N 1 0 305.378 3.092 10 5 DGBERO C[C@H]1C[C@H](N(C)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000154016335 432464694 /nfs/dbraw/zinc/46/46/94/432464694.db2.gz ATSNPRRHYOXJGS-WCQYABFASA-N 1 0 311.813 3.163 10 5 DGBERO C[C@@H]1CCC[N@@H+]1C1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000154896078 432527540 /nfs/dbraw/zinc/52/75/40/432527540.db2.gz AXWQPBQSDJYNSX-GFCCVEGCSA-N 1 0 307.369 3.187 10 5 DGBERO CC[N@@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000194381050 432546507 /nfs/dbraw/zinc/54/65/07/432546507.db2.gz KKIPFBOJVHBLKP-GFCCVEGCSA-N 1 0 300.362 3.039 10 5 DGBERO Cc1cnc(CC[N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000157698398 432626269 /nfs/dbraw/zinc/62/62/69/432626269.db2.gz PNRGDCHEMUJVOM-UHFFFAOYSA-N 1 0 305.403 3.077 10 5 DGBERO C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H](C)C1 ZINC000178959882 432792198 /nfs/dbraw/zinc/79/21/98/432792198.db2.gz GROMNASWMZYMFM-QWHCGFSZSA-N 1 0 320.389 3.329 10 5 DGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000414566669 433728665 /nfs/dbraw/zinc/72/86/65/433728665.db2.gz FZFHCFIHHGLHRH-CRSTWVDOSA-N 1 0 304.390 3.139 10 5 DGBERO CC[C@H](C)[NH2+][C@H](CNc1ccc([N+](=O)[O-])nc1)c1ccco1 ZINC000450527628 434247065 /nfs/dbraw/zinc/24/70/65/434247065.db2.gz HYACTPQRXYVWRW-WCQYABFASA-N 1 0 304.350 3.124 10 5 DGBERO CC[NH+](CC)CCCC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000519558339 294774126 /nfs/dbraw/zinc/77/41/26/294774126.db2.gz NBCSKTOIPFYMHN-UHFFFAOYSA-N 1 0 320.437 3.328 10 5 DGBERO COCCC1(C)C[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000459633784 434643050 /nfs/dbraw/zinc/64/30/50/434643050.db2.gz LUTZUBNJRGPORX-NTEUORMPSA-N 1 0 304.390 3.357 10 5 DGBERO Cc1ccnc(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000371835409 434757283 /nfs/dbraw/zinc/75/72/83/434757283.db2.gz SLGXGVZTMAFJDH-UHFFFAOYSA-N 1 0 312.373 3.073 10 5 DGBERO COC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000539381180 435549485 /nfs/dbraw/zinc/54/94/85/435549485.db2.gz MEXAUKKQOOZYKZ-KRWDZBQOSA-N 1 0 318.348 3.254 10 5 DGBERO C[C@@H]1C[C@@H](C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCO1 ZINC000569877734 435569134 /nfs/dbraw/zinc/56/91/34/435569134.db2.gz SOMVOSFXQAPNFP-HIFRSBDPSA-N 1 0 304.390 3.374 10 5 DGBERO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1(CCO)CCCCC1 ZINC000538410452 313861872 /nfs/dbraw/zinc/86/18/72/313861872.db2.gz VSOXJZJMGYASQA-VURMDHGXSA-N 1 0 304.390 3.283 10 5 DGBERO CC[NH+](CC)CC1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000557420868 314804258 /nfs/dbraw/zinc/80/42/58/314804258.db2.gz WAYAIUAPFCRXAG-UHFFFAOYSA-N 1 0 309.385 3.292 10 5 DGBERO CC(=O)NC1CCC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000573829309 315904197 /nfs/dbraw/zinc/90/41/97/315904197.db2.gz WORRJSDCJZREKN-LRVUVFPRSA-N 1 0 319.405 3.001 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1CN1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000183312498 323333308 /nfs/dbraw/zinc/33/33/08/323333308.db2.gz UFFCDNQPJGPRDO-SFHVURJKSA-N 1 0 317.433 3.354 10 5 DGBERO C[C@H]1C[C@@H](C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CCO1 ZINC000583556628 324369171 /nfs/dbraw/zinc/36/91/71/324369171.db2.gz MDLFVQLIMTWPPN-ZFWWWQNUSA-N 1 0 304.390 3.374 10 5 DGBERO CCC[N@@H+]1CCC[C@@H]1c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000443102369 528225589 /nfs/dbraw/zinc/22/55/89/528225589.db2.gz OOYCZPMVMKBREZ-CYBMUJFWSA-N 1 0 302.334 3.192 10 5 DGBERO C[N@H+](CCNc1cc(F)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000302789638 546437514 /nfs/dbraw/zinc/43/75/14/546437514.db2.gz FIWQFVCTPXOAED-UHFFFAOYSA-N 1 0 303.337 3.278 10 5 DGBERO CC(C)[NH2+]CCCNc1cc(Br)ccc1[N+](=O)[O-] ZINC000700500979 660627245 /nfs/dbraw/zinc/62/72/45/660627245.db2.gz CDWPOFBMCKFQRA-UHFFFAOYSA-N 1 0 316.199 3.157 10 5 DGBERO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC[C@H]1CCSC1 ZINC000704919951 660826447 /nfs/dbraw/zinc/82/64/47/660826447.db2.gz WRVATGOCEUBETC-JTQLQIEISA-N 1 0 300.811 3.481 10 5 DGBERO C[NH2+][C@H]1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000234482341 655737408 /nfs/dbraw/zinc/73/74/08/655737408.db2.gz NEDITUIIUPFHMM-QMMMGPOBSA-N 1 0 304.177 3.090 10 5 DGBERO CCN(Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000261979763 657270962 /nfs/dbraw/zinc/27/09/62/657270962.db2.gz RFUCGNXXWNOPGV-CYBMUJFWSA-N 1 0 311.813 3.212 10 5 DGBERO CN(C)c1cccc(CN(C)Cc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000089923254 662250901 /nfs/dbraw/zinc/25/09/01/662250901.db2.gz RELFOWSMNXCRBB-UHFFFAOYSA-N 1 0 317.364 3.432 10 5 DGBERO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@]3(CC=CCC3)C2)c1 ZINC000246318682 662253936 /nfs/dbraw/zinc/25/39/36/662253936.db2.gz RKMPFMWFJYPLNS-QZTJIDSGSA-N 1 0 316.401 3.451 10 5 DGBERO CC(C)C[C@@H](C[NH+](C)C)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000232615862 1202601774 /nfs/dbraw/zinc/60/17/74/1202601774.db2.gz WDCYZIZCRWKUID-JTQLQIEISA-N 1 0 300.790 3.031 10 5 DGBERO CC(C)(C)C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162140528 1203245977 /nfs/dbraw/zinc/24/59/77/1203245977.db2.gz JLVOQLQIODIMPK-UHFFFAOYSA-N 1 0 301.184 3.493 10 5 DGBERO CCOC(=O)c1ccc2c(c1)N=C(C)[N@+]2(CC)CCCOC ZINC000249705277 717165180 /nfs/dbraw/zinc/16/51/80/717165180.db2.gz MOQZEXIWZUOYNS-IBGZPJMESA-N 1 0 305.398 3.291 10 5 DGBERO C[C@H](CNc1ncc(Cl)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000434950190 238258591 /nfs/dbraw/zinc/25/85/91/238258591.db2.gz GZQWPPMEEBPVJU-WDEREUQCSA-N 1 0 312.801 3.318 10 5 DGBERO Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000091553668 284001695 /nfs/dbraw/zinc/00/16/95/284001695.db2.gz KLLBJHJTHFOJET-LBPRGKRZSA-N 1 0 316.405 3.229 10 5 DGBERO CC[N@@H+]1CC[C@H](N(C)C/C=C/c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000093638785 284013752 /nfs/dbraw/zinc/01/37/52/284013752.db2.gz VJRRTZZSAQIOLF-FUZMGVLZSA-N 1 0 317.433 3.270 10 5 DGBERO C[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000246313534 432118615 /nfs/dbraw/zinc/11/86/15/432118615.db2.gz QZQVFPQAYQJCAT-XWIAVFTESA-N 1 0 312.369 3.321 10 5 DGBERO CCS[C@H]1CCCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246318860 432119005 /nfs/dbraw/zinc/11/90/05/432119005.db2.gz RLXFTLXNVFLJTD-JKSUJKDBSA-N 1 0 324.446 3.236 10 5 DGBERO Cc1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1[N+](=O)[O-] ZINC000093615086 193275406 /nfs/dbraw/zinc/27/54/06/193275406.db2.gz VSXCRWRZULQCKT-SJORKVTESA-N 1 0 317.433 3.350 10 5 DGBERO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@@H]2CCOC2)c2ccccc2)c1 ZINC000490156774 245384859 /nfs/dbraw/zinc/38/48/59/245384859.db2.gz KIBFBDJDVDTQIV-KBXCAEBGSA-N 1 0 312.369 3.310 10 5 DGBERO CC(C)[C@H](C)[NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000015415247 182001254 /nfs/dbraw/zinc/00/12/54/182001254.db2.gz UKPKGAKNZBGCSU-QWRGUYRKSA-N 1 0 304.350 3.340 10 5 DGBERO CC(C)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000016519022 182048475 /nfs/dbraw/zinc/04/84/75/182048475.db2.gz PLOBQCCBCHTILX-UWVGGRQHSA-N 1 0 313.785 3.209 10 5 DGBERO Cc1cc(C)c([N+](=O)[O-])c(NC2CC[NH+](CC(C)C)CC2)n1 ZINC000611615754 400429241 /nfs/dbraw/zinc/42/92/41/400429241.db2.gz YECNZHAKTGCIIR-UHFFFAOYSA-N 1 0 306.410 3.139 10 5 DGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C2(O)CC2)CC1 ZINC000593647536 400886749 /nfs/dbraw/zinc/88/67/49/400886749.db2.gz ARZOYPSTCJLLIE-KAMYIIQDSA-N 1 0 316.401 3.235 10 5 DGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000245515129 292295917 /nfs/dbraw/zinc/29/59/17/292295917.db2.gz DADLMKPODSRQBQ-HOCLYGCPSA-N 1 0 303.406 3.134 10 5 DGBERO CC(C)C[C@H](CO)[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000185332309 165001025 /nfs/dbraw/zinc/00/10/25/165001025.db2.gz IZLYVUAIVZEKCB-CYBMUJFWSA-N 1 0 300.786 3.087 10 5 DGBERO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000187766487 165103749 /nfs/dbraw/zinc/10/37/49/165103749.db2.gz DVLNNWCESYOASQ-HOCLYGCPSA-N 1 0 318.352 3.204 10 5 DGBERO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000195340128 165366964 /nfs/dbraw/zinc/36/69/64/165366964.db2.gz JQQLFQQHXJUXJP-AWEZNQCLSA-N 1 0 317.414 3.473 10 5 DGBERO C[C@H]([NH2+]CC(=O)Nc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000137426393 432176449 /nfs/dbraw/zinc/17/64/49/432176449.db2.gz IJBYWYHGFWRYRZ-NSHDSACASA-N 1 0 317.320 3.023 10 5 DGBERO CC(C)(C)[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000122655728 273498533 /nfs/dbraw/zinc/49/85/33/273498533.db2.gz KICCGDSSJAWGDJ-UHFFFAOYSA-N 1 0 312.801 3.318 10 5 DGBERO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000188031856 274319042 /nfs/dbraw/zinc/31/90/42/274319042.db2.gz NURSXPGDEXKWLL-ABAIWWIYSA-N 1 0 312.797 3.231 10 5 DGBERO [NH3+][C@H]1CCCC[C@@H]1Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000038050819 274961814 /nfs/dbraw/zinc/96/18/14/274961814.db2.gz MGZJKYBJKJDDOQ-UWVGGRQHSA-N 1 0 303.284 3.295 10 5 DGBERO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H]([NH+]3CCCC3)CC2)n1 ZINC000408171429 280398842 /nfs/dbraw/zinc/39/88/42/280398842.db2.gz JJJADROKPFUGKS-OAHLLOKOSA-N 1 0 318.421 3.061 10 5 DGBERO COc1ccc(CN(C)Cc2csc([N+](=O)[O-])c2)cc1O ZINC000080962973 431779633 /nfs/dbraw/zinc/77/96/33/431779633.db2.gz FAHMZZBBHRQHJR-UHFFFAOYSA-N 1 0 308.359 3.003 10 5 DGBERO C[C@@H]1C[C@@H](N(C)Cc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123397188 431863883 /nfs/dbraw/zinc/86/38/83/431863883.db2.gz YXWUNAVUZAUUJP-RISCZKNCSA-N 1 0 311.813 3.163 10 5 DGBERO O=[N+]([O-])c1ccccc1C[N@H+](C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000123576244 431868966 /nfs/dbraw/zinc/86/89/66/431868966.db2.gz LSCRTQTYMICRCO-HUUCEWRRSA-N 1 0 322.430 3.081 10 5 DGBERO CCC[C@@H]([NH2+]CCn1cc(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000124025612 431881390 /nfs/dbraw/zinc/88/13/90/431881390.db2.gz RLOFKKXREFQXDY-MRXNPFEDSA-N 1 0 302.378 3.231 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1CN1CCCC[C@@H]1c1ncc[nH]1 ZINC000183310933 432281931 /nfs/dbraw/zinc/28/19/31/432281931.db2.gz VFZNRFIFYZTPRO-OAHLLOKOSA-N 1 0 300.362 3.354 10 5 DGBERO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000249068208 432336428 /nfs/dbraw/zinc/33/64/28/432336428.db2.gz KLLYXFDKUNKETO-VNHYZAJKSA-N 1 0 320.389 3.095 10 5 DGBERO C[C@H]([NH2+][C@@H](C)c1cccs1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000192675569 432399715 /nfs/dbraw/zinc/39/97/15/432399715.db2.gz ZSYIDOFGBQKDAF-QWRGUYRKSA-N 1 0 319.386 3.334 10 5 DGBERO C[C@@H]([NH2+][C@@H](C)c1cccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000192678813 432400813 /nfs/dbraw/zinc/40/08/13/432400813.db2.gz WEPKCJBLQKSLQO-WDEREUQCSA-N 1 0 319.386 3.334 10 5 DGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)c1cccs1 ZINC000192870272 432423348 /nfs/dbraw/zinc/42/33/48/432423348.db2.gz JFCDTPKUQLBYAH-LLVKDONJSA-N 1 0 319.386 3.254 10 5 DGBERO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176204274 432499937 /nfs/dbraw/zinc/49/99/37/432499937.db2.gz WSUXQOKTYZXIDV-NSHDSACASA-N 1 0 308.769 3.138 10 5 DGBERO CC[N@@H+]1CCC[C@@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000194380766 432546348 /nfs/dbraw/zinc/54/63/48/432546348.db2.gz PSKADNPGGVUUPH-CYBMUJFWSA-N 1 0 300.362 3.039 10 5 DGBERO CC[C@H]([NH2+]Cc1ccc(CO)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000178565358 432753989 /nfs/dbraw/zinc/75/39/89/432753989.db2.gz VZDPRHSGSXZOFM-KRWDZBQOSA-N 1 0 318.348 3.467 10 5 DGBERO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCCC34CCC4)o2)cc1 ZINC000373100237 433089693 /nfs/dbraw/zinc/08/96/93/433089693.db2.gz QVOASCQTDNXIMW-UHFFFAOYSA-N 1 0 314.345 3.163 10 5 DGBERO CC(=O)c1cc(NC2CC([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000376390909 433725290 /nfs/dbraw/zinc/72/52/90/433725290.db2.gz HEWGOYYKALYRBB-UHFFFAOYSA-N 1 0 317.389 3.226 10 5 DGBERO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H](CO)CC1CCCC1 ZINC000509453570 294352588 /nfs/dbraw/zinc/35/25/88/294352588.db2.gz ZJRKIDYAYPGSHB-RDTXFTJFSA-N 1 0 304.390 3.139 10 5 DGBERO COc1cnccc1[C@@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000438468849 434483368 /nfs/dbraw/zinc/48/33/68/434483368.db2.gz YKLXSMKLDPILFJ-SCXUMTSISA-N 1 0 313.357 3.362 10 5 DGBERO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])nc2)C[N@@H+]1Cc1ccccc1 ZINC000398001424 434450680 /nfs/dbraw/zinc/45/06/80/434450680.db2.gz WLPJQIABSYNJLH-CZUORRHYSA-N 1 0 312.373 3.065 10 5 DGBERO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)C[C@H]1CC=CCC1 ZINC000544106726 314173348 /nfs/dbraw/zinc/17/33/48/314173348.db2.gz YLTKHJJKZYSJSB-AWEZNQCLSA-N 1 0 317.389 3.130 10 5 DGBERO Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000183489296 323340000 /nfs/dbraw/zinc/34/00/00/323340000.db2.gz PLVKUHQSGQEAEZ-LBPRGKRZSA-N 1 0 316.405 3.229 10 5 DGBERO COC(=O)CCC(C)(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000735494473 574704247 /nfs/dbraw/zinc/70/42/47/574704247.db2.gz YNPGKOOUZMDNDO-UHFFFAOYSA-N 1 0 314.769 3.070 10 5 DGBERO CC[C@@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC[C@@H]1[NH3+] ZINC000233958450 655529554 /nfs/dbraw/zinc/52/95/54/655529554.db2.gz DXDCCAUIOLDSLJ-PELKAZGASA-N 1 0 318.204 3.465 10 5 DGBERO O=[N+]([O-])c1cc(Cl)c(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1 ZINC000236042299 655943084 /nfs/dbraw/zinc/94/30/84/655943084.db2.gz SWXFSZOVCZBBHT-BDAKNGLRSA-N 1 0 316.188 3.232 10 5 DGBERO COCC(C)(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000718684959 662260321 /nfs/dbraw/zinc/26/03/21/662260321.db2.gz LMCDDPXJOMNRJA-UHFFFAOYSA-N 1 0 300.786 3.401 10 5 DGBERO CCOC[C@@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000188871467 1203233791 /nfs/dbraw/zinc/23/37/91/1203233791.db2.gz ZSHLADGZDKATOX-CYBMUJFWSA-N 1 0 300.786 3.399 10 5 DGBERO CCOC(=O)c1ccc2c(c1)N=C(C)[N@@+]2(CC)CCCOC ZINC000249705279 717165131 /nfs/dbraw/zinc/16/51/31/717165131.db2.gz MOQZEXIWZUOYNS-LJQANCHMSA-N 1 0 305.398 3.291 10 5 DGBERO Cc1cc(N[C@@H](C)CCC[NH3+])c(Br)cc1[N+](=O)[O-] ZINC000310795254 231115322 /nfs/dbraw/zinc/11/53/22/231115322.db2.gz CCMLSMVSEFEQLZ-VIFPVBQESA-N 1 0 316.199 3.205 10 5 DGBERO CC[C@H]([NH2+]C[C@@H]1CC2(CCC2)C(=O)O1)c1cccc([N+](=O)[O-])c1 ZINC000192161624 200829939 /nfs/dbraw/zinc/82/99/39/200829939.db2.gz YKEYCPABGCNNNC-GJZGRUSLSA-N 1 0 318.373 3.121 10 5 DGBERO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000470952177 244196830 /nfs/dbraw/zinc/19/68/30/244196830.db2.gz BFMJJXWEQPFQGV-GXFFZTMASA-N 1 0 302.296 3.410 10 5 DGBERO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000470954857 244199890 /nfs/dbraw/zinc/19/98/90/244199890.db2.gz CWOJUDGWRLVUBD-WDEREUQCSA-N 1 0 318.295 3.246 10 5 DGBERO C[C@@]1(c2ccccc2)CN(Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000121403801 284196326 /nfs/dbraw/zinc/19/63/26/284196326.db2.gz UJIWUCDABSHHSA-INIZCTEOSA-N 1 0 318.398 3.404 10 5 DGBERO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc2ccccc2c1 ZINC000181485387 432132454 /nfs/dbraw/zinc/13/24/54/432132454.db2.gz LIBPKELOPRAPFU-ZDUSSCGKSA-N 1 0 310.357 3.295 10 5 DGBERO O=[N+]([O-])c1c(Nc2cc[nH+]cc2)ncnc1OC1CCCCC1 ZINC000040586495 183105684 /nfs/dbraw/zinc/10/56/84/183105684.db2.gz ASDYDGSFBXVFIC-UHFFFAOYSA-N 1 0 315.333 3.235 10 5 DGBERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000105894928 194160212 /nfs/dbraw/zinc/16/02/12/194160212.db2.gz XHFZVWNYMALQHI-MRXNPFEDSA-N 1 0 314.389 3.282 10 5 DGBERO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1Cc3ccccc3[C@H]1O)CCC2 ZINC000192871161 285145562 /nfs/dbraw/zinc/14/55/62/285145562.db2.gz HSQKMYODWBHBTC-CEXWTWQISA-N 1 0 324.380 3.220 10 5 DGBERO C[N@@H+]1CC[C@@]2(OC(=O)c3ccc([N+](=O)[O-])cc3)CCCC[C@H]2C1 ZINC000001036775 400080120 /nfs/dbraw/zinc/08/01/20/400080120.db2.gz KCSJHKGWIDSOMK-YOEHRIQHSA-N 1 0 318.373 3.016 10 5 DGBERO CC(C)[C@H]([NH3+])CCNc1ccc([N+](=O)[O-])cc1Br ZINC000596030386 400301614 /nfs/dbraw/zinc/30/16/14/400301614.db2.gz WWRFQNAIUBYEFT-LLVKDONJSA-N 1 0 316.199 3.143 10 5 DGBERO CC[C@@H]([NH2+]CCC(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000151009341 400668849 /nfs/dbraw/zinc/66/88/49/400668849.db2.gz WQRPOXLGICQLMF-MRXNPFEDSA-N 1 0 319.405 3.084 10 5 DGBERO CO[C@H]1CCC[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000619427449 400845988 /nfs/dbraw/zinc/84/59/88/400845988.db2.gz KTCSRDHBLIIVLB-WBVHZDCISA-N 1 0 306.406 3.465 10 5 DGBERO Cn1cc([C@@H]2CCC[N@@H+]2C/C=C\c2ccccc2[N+](=O)[O-])cn1 ZINC000255324333 401103589 /nfs/dbraw/zinc/10/35/89/401103589.db2.gz DNOXMRDQTXQDOC-OUOZUETKSA-N 1 0 312.373 3.179 10 5 DGBERO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000246986437 432189068 /nfs/dbraw/zinc/18/90/68/432189068.db2.gz JYUGMOLATXFDHE-HEHGZKQESA-N 1 0 321.421 3.329 10 5 DGBERO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000136816933 196553650 /nfs/dbraw/zinc/55/36/50/196553650.db2.gz PGOAYXXHARDLRY-QFYYESIMSA-N 1 0 322.311 3.257 10 5 DGBERO C[C@@H]([NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000227304032 263839737 /nfs/dbraw/zinc/83/97/37/263839737.db2.gz BNJOBSRYZZDCDW-NWDGAFQWSA-N 1 0 323.393 3.159 10 5 DGBERO CC[NH+](CC)CC1CCN(c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000475357071 276323485 /nfs/dbraw/zinc/32/34/85/276323485.db2.gz YIFGPRPWECRGJD-UHFFFAOYSA-N 1 0 321.421 3.162 10 5 DGBERO CO[C@H]1CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC[C@@H]1C ZINC000302554815 277344173 /nfs/dbraw/zinc/34/41/73/277344173.db2.gz KYAMPRRVWOCWSG-GTNSWQLSSA-N 1 0 315.373 3.313 10 5 DGBERO C[C@@H]1[NH2+]CCC[C@H]1Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000229604521 279035934 /nfs/dbraw/zinc/03/59/34/279035934.db2.gz SYPDRIDZBXKJBE-GZMMTYOYSA-N 1 0 303.284 3.166 10 5 DGBERO Cc1cc(C)c([N+](=O)[O-])c(NC2CC(C)(C)[NH2+]C(C)(C)C2)n1 ZINC000408169749 280399845 /nfs/dbraw/zinc/39/98/45/280399845.db2.gz AMUGBVUKAYMVBX-UHFFFAOYSA-N 1 0 306.410 3.328 10 5 DGBERO CC(C)c1noc(CCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000173377166 432274531 /nfs/dbraw/zinc/27/45/31/432274531.db2.gz MCLIZKYERDPVRQ-GFCCVEGCSA-N 1 0 318.377 3.385 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000183360897 432286547 /nfs/dbraw/zinc/28/65/47/432286547.db2.gz QOSFZJRJQWVYBS-QGZVFWFLSA-N 1 0 317.433 3.354 10 5 DGBERO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000128567166 431996293 /nfs/dbraw/zinc/99/62/93/431996293.db2.gz KMTCGOCQIJOOBF-GOEBONIOSA-N 1 0 300.362 3.065 10 5 DGBERO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000183154609 432263918 /nfs/dbraw/zinc/26/39/18/432263918.db2.gz XRUBNQBUGFODBY-DOMZBBRYSA-N 1 0 308.378 3.039 10 5 DGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000249379338 432346502 /nfs/dbraw/zinc/34/65/02/432346502.db2.gz OOMYVOWGDPYMLZ-GXTWGEPZSA-N 1 0 300.362 3.259 10 5 DGBERO CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000152871996 432362885 /nfs/dbraw/zinc/36/28/85/432362885.db2.gz REKUIEQDECPCMT-ZOWXZIJZSA-N 1 0 308.378 3.212 10 5 DGBERO C[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCCC1 ZINC000184665540 432417062 /nfs/dbraw/zinc/41/70/62/432417062.db2.gz VGEJAQUUEGHKDG-LLVKDONJSA-N 1 0 316.361 3.313 10 5 DGBERO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000192798501 432417476 /nfs/dbraw/zinc/41/74/76/432417476.db2.gz DJWCGAAYIIKODB-LLVKDONJSA-N 1 0 319.386 3.336 10 5 DGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)C1CCCC1 ZINC000184654655 432417998 /nfs/dbraw/zinc/41/79/98/432417998.db2.gz PCBRPVJJPFRGLR-CYBMUJFWSA-N 1 0 319.405 3.400 10 5 DGBERO Cc1ccc(N2CCC([N@H+]3CCC[C@H]3C)CC2)c([N+](=O)[O-])c1 ZINC000154942517 432529640 /nfs/dbraw/zinc/52/96/40/432529640.db2.gz VKTVKZYZQKLLLT-CQSZACIVSA-N 1 0 303.406 3.356 10 5 DGBERO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000188031832 432700368 /nfs/dbraw/zinc/70/03/68/432700368.db2.gz NURSXPGDEXKWLL-XHDPSFHLSA-N 1 0 312.797 3.231 10 5 DGBERO CC[C@@H]([NH2+][C@@H](C)C(=O)NCCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000178674980 432764250 /nfs/dbraw/zinc/76/42/50/432764250.db2.gz WKZXGDNSDUPOOW-XJKSGUPXSA-N 1 0 321.421 3.186 10 5 DGBERO COc1ccc([N+](=O)[O-])c(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000266728815 432782622 /nfs/dbraw/zinc/78/26/22/432782622.db2.gz NLSXZQLIASIFPT-KGLIPLIRSA-N 1 0 319.405 3.055 10 5 DGBERO Cc1cc(SCC[NH+](C)C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301589710 433625993 /nfs/dbraw/zinc/62/59/93/433625993.db2.gz COPHEJJXNRHTBW-UHFFFAOYSA-N 1 0 318.402 3.014 10 5 DGBERO C[C@H]([NH2+]CCN(C)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000343918247 433837938 /nfs/dbraw/zinc/83/79/38/433837938.db2.gz VPCFRRSKPITPCG-HNNXBMFYSA-N 1 0 313.401 3.377 10 5 DGBERO CC(=O)c1ccc2c(c1)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000378270146 434126679 /nfs/dbraw/zinc/12/66/79/434126679.db2.gz ZGUNVZVBDUITEV-UHFFFAOYSA-N 1 0 324.380 3.398 10 5 DGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CO)CC1CCCC1 ZINC000554722107 434943559 /nfs/dbraw/zinc/94/35/59/434943559.db2.gz HBRLJEKPPRKBJB-HIFRSBDPSA-N 1 0 306.406 3.495 10 5 DGBERO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)[nH]n1 ZINC000537962984 435476346 /nfs/dbraw/zinc/47/63/46/435476346.db2.gz TUHWNLGYGVSSED-WCQYABFASA-N 1 0 302.378 3.217 10 5 DGBERO COC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000531096488 313431699 /nfs/dbraw/zinc/43/16/99/313431699.db2.gz RXLYSCYNARJICZ-QGZVFWFLSA-N 1 0 314.385 3.251 10 5 DGBERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000183128546 323327140 /nfs/dbraw/zinc/32/71/40/323327140.db2.gz YZFQYURYLKZWNJ-INIZCTEOSA-N 1 0 314.389 3.095 10 5 DGBERO CC(C)(CO)[NH2+]C[C@@H](O)c1ccc2ccc3ccccc3c2c1 ZINC000584631908 337377032 /nfs/dbraw/zinc/37/70/32/337377032.db2.gz ZPCFNWZIKKUPLH-LJQANCHMSA-N 1 0 309.409 3.387 10 5 DGBERO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000156988896 527385790 /nfs/dbraw/zinc/38/57/90/527385790.db2.gz BBVVEZOZAJGWCR-ZDUSSCGKSA-N 1 0 303.387 3.431 10 5 DGBERO CC[NH2+]CCCNc1cc(C)c([N+](=O)[O-])cc1Br ZINC000233511165 546277199 /nfs/dbraw/zinc/27/71/99/546277199.db2.gz IHOOMCKXTALWFN-UHFFFAOYSA-N 1 0 316.199 3.077 10 5 DGBERO CC[C@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC[C@@H]1[NH3+] ZINC000234091688 655607624 /nfs/dbraw/zinc/60/76/24/655607624.db2.gz DXDCCAUIOLDSLJ-UFBFGSQYSA-N 1 0 318.204 3.465 10 5 DGBERO [NH3+]CC[C@@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000723710406 655717814 /nfs/dbraw/zinc/71/78/14/655717814.db2.gz UJOFZMOQZOWTHK-MRVPVSSYSA-N 1 0 304.177 3.077 10 5 DGBERO C[C@@H]([NH3+])C1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000235144117 655804197 /nfs/dbraw/zinc/80/41/97/655804197.db2.gz APTRHDBCLRWYKR-MRVPVSSYSA-N 1 0 318.204 3.465 10 5 DGBERO [NH3+]CCC1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000236167791 655948135 /nfs/dbraw/zinc/94/81/35/655948135.db2.gz USEKZIWWJUDJTR-UHFFFAOYSA-N 1 0 318.204 3.467 10 5 DGBERO O=[N+]([O-])c1c(F)cccc1NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000262524042 657690287 /nfs/dbraw/zinc/69/02/87/657690287.db2.gz OPCLRHOOGOJZGD-HNNXBMFYSA-N 1 0 301.321 3.033 10 5 DGBERO C[C@@H]1C[C@@H](N(C)Cc2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+]1C ZINC000172847807 659360045 /nfs/dbraw/zinc/36/00/45/659360045.db2.gz FSUFOJQAEKQXDY-YPMHNXCESA-N 1 0 311.813 3.163 10 5 DGBERO CC1(C)CCC[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000077382805 662024162 /nfs/dbraw/zinc/02/41/62/662024162.db2.gz RNOIAZJQBDNEOC-UHFFFAOYSA-N 1 0 311.769 3.061 10 5 DGBERO CC[C@H](C)[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000055066196 1194795450 /nfs/dbraw/zinc/79/54/50/1194795450.db2.gz QOGBFMWJEVODQF-LBPRGKRZSA-N 1 0 311.813 3.164 10 5 DGBERO Cc1ccc(C[NH2+]CCN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000067222002 1195608608 /nfs/dbraw/zinc/60/86/08/1195608608.db2.gz BPBWURBPRZFYQL-UHFFFAOYSA-N 1 0 313.401 3.125 10 5 DGBERO [NH3+]C1CCC(Nc2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000087834101 185232904 /nfs/dbraw/zinc/23/29/04/185232904.db2.gz LYYLXCNZRHNRFY-UHFFFAOYSA-N 1 0 314.183 3.039 10 5 DGBERO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000090068683 185280691 /nfs/dbraw/zinc/28/06/91/185280691.db2.gz JYUGMOLATXFDHE-XEZPLFJOSA-N 1 0 321.421 3.329 10 5 DGBERO C[C@H]1[NH2+]CCC[C@@H]1Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000229597017 201842172 /nfs/dbraw/zinc/84/21/72/201842172.db2.gz OYUBHAMJGCLABX-KCJUWKMLSA-N 1 0 303.284 3.166 10 5 DGBERO C[NH+](C)CCN1C(=O)c2cccc3cc4ccccc4c(c32)C1=O ZINC000003805647 181046391 /nfs/dbraw/zinc/04/63/91/181046391.db2.gz CWNBRNSIRVKSDC-UHFFFAOYSA-N 1 0 318.376 3.151 10 5 DGBERO C[NH+](C)CCCNC(=O)c1cccc2cc3ccccc3nc21 ZINC000005957680 181300695 /nfs/dbraw/zinc/30/06/95/181300695.db2.gz KYCOMXWKGOQFDE-UHFFFAOYSA-N 1 0 307.397 3.070 10 5 DGBERO C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](C)O1 ZINC000127064519 284326070 /nfs/dbraw/zinc/32/60/70/284326070.db2.gz LBJPYUZQMIQSNG-CHWSQXEVSA-N 1 0 316.357 3.464 10 5 DGBERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000105436519 194104392 /nfs/dbraw/zinc/10/43/92/194104392.db2.gz OPPCOVIFBOFNQT-CYBMUJFWSA-N 1 0 313.829 3.314 10 5 DGBERO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000245552749 284823644 /nfs/dbraw/zinc/82/36/44/284823644.db2.gz PXLUAKRVXJFGQY-KJGCVMFHSA-N 1 0 318.417 3.463 10 5 DGBERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000119644194 195009169 /nfs/dbraw/zinc/00/91/69/195009169.db2.gz PMCGHSUXSBMFOF-WQLSENKSSA-N 1 0 320.780 3.138 10 5 DGBERO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)CCC2 ZINC000253354645 285108714 /nfs/dbraw/zinc/10/87/14/285108714.db2.gz FDLKURAXZXBMOG-KBRIMQKVSA-N 1 0 304.390 3.113 10 5 DGBERO CC[N@H+](CCc1nccs1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000159187864 197334193 /nfs/dbraw/zinc/33/41/93/197334193.db2.gz RGLZTTSWKXTZSS-UHFFFAOYSA-N 1 0 321.402 3.125 10 5 DGBERO CC[C@H]([NH2+][C@H](C)CCn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000158929058 197312423 /nfs/dbraw/zinc/31/24/23/197312423.db2.gz DXSQLKWHPYBHDF-CJNGLKHVSA-N 1 0 302.378 3.311 10 5 DGBERO CCCN(CC[NH+](CC)CC)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000120741558 195229074 /nfs/dbraw/zinc/22/90/74/195229074.db2.gz JXWISLBKUZHAJI-UHFFFAOYSA-N 1 0 321.421 3.097 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000124476539 195645243 /nfs/dbraw/zinc/64/52/43/195645243.db2.gz XXJYWVXOSKGRAH-UHFFFAOYSA-N 1 0 313.357 3.217 10 5 DGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000470182597 533407917 /nfs/dbraw/zinc/40/79/17/533407917.db2.gz MEKFYCCQDOHABD-NQKFPNJCSA-N 1 0 316.401 3.499 10 5 DGBERO O=[N+]([O-])c1cc(Cl)c(NCC2CC[NH2+]CC2)c(Cl)c1 ZINC000236042750 400976174 /nfs/dbraw/zinc/97/61/74/400976174.db2.gz JTZTYQGMUIKNOB-UHFFFAOYSA-N 1 0 304.177 3.313 10 5 DGBERO COc1cc(N2CCCC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000266424238 286228516 /nfs/dbraw/zinc/22/85/16/286228516.db2.gz SLGKZOOTTNWOAF-HNNXBMFYSA-N 1 0 319.405 3.058 10 5 DGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2ccnn2C)CC1 ZINC000195502463 165372197 /nfs/dbraw/zinc/37/21/97/165372197.db2.gz WMAXOQOYMBYVDB-ZDUSSCGKSA-N 1 0 314.389 3.269 10 5 DGBERO CCC[C@H]([NH2+]CC1(C)OCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000190674055 432182320 /nfs/dbraw/zinc/18/23/20/432182320.db2.gz OGBNSOIHYFSKMO-HNNXBMFYSA-N 1 0 308.378 3.179 10 5 DGBERO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc2ccccc2c1 ZINC000130974989 196128659 /nfs/dbraw/zinc/12/86/59/196128659.db2.gz UOSDOEYOJYKRAI-CYBMUJFWSA-N 1 0 310.357 3.295 10 5 DGBERO CC(C)[C@H](C)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000172673554 432226602 /nfs/dbraw/zinc/22/66/02/432226602.db2.gz CQWNZPIFNHUXBJ-CYBMUJFWSA-N 1 0 316.405 3.377 10 5 DGBERO CC[NH+](CC)C[C@H]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000247689274 432246964 /nfs/dbraw/zinc/24/69/64/432246964.db2.gz VOUJNAVICRUVEO-HUUCEWRRSA-N 1 0 305.422 3.320 10 5 DGBERO [NH3+][C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000038050677 274955775 /nfs/dbraw/zinc/95/57/75/274955775.db2.gz HLVWLLNIRXAQSL-PWSUYJOCSA-N 1 0 303.284 3.295 10 5 DGBERO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc2ccccc2c2cccnc12 ZINC000194701060 277081256 /nfs/dbraw/zinc/08/12/56/277081256.db2.gz ZBVCQGQNZBSGNQ-HNNXBMFYSA-N 1 0 319.408 3.212 10 5 DGBERO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000119407054 431690134 /nfs/dbraw/zinc/69/01/34/431690134.db2.gz ULSGUXUBCTXWJM-NSHDSACASA-N 1 0 306.387 3.425 10 5 DGBERO O=[N+]([O-])c1ccccc1N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC000028094454 431701223 /nfs/dbraw/zinc/70/12/23/431701223.db2.gz RIVDCSLHTSNUQK-UHFFFAOYSA-N 1 0 309.369 3.368 10 5 DGBERO COc1ccc(C[NH+]2CCC(OCC(C)C)CC2)cc1[N+](=O)[O-] ZINC000054328562 431970109 /nfs/dbraw/zinc/97/01/09/431970109.db2.gz OSVILYIJUDAQNH-UHFFFAOYSA-N 1 0 322.405 3.240 10 5 DGBERO Cc1c([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@H]2O)cccc1[N+](=O)[O-] ZINC000248200219 432275237 /nfs/dbraw/zinc/27/52/37/432275237.db2.gz YLFWRAYTCQLOOV-ULFGMLNVSA-N 1 0 312.369 3.212 10 5 DGBERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173445861 432279395 /nfs/dbraw/zinc/27/93/95/432279395.db2.gz LTVJTANNBIULNS-NEPJUHHUSA-N 1 0 316.405 3.227 10 5 DGBERO CC[NH+](CC)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183372390 432286423 /nfs/dbraw/zinc/28/64/23/432286423.db2.gz OZYZFKNPINPEJE-HNNXBMFYSA-N 1 0 305.422 3.067 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000183577637 432304782 /nfs/dbraw/zinc/30/47/82/432304782.db2.gz XEZBWRDTPDPKDZ-GOEBONIOSA-N 1 0 322.430 3.048 10 5 DGBERO CCOc1cccc(NCc2ccc3c(c2)C[NH2+]C3)c1[N+](=O)[O-] ZINC000261910784 432459374 /nfs/dbraw/zinc/45/93/74/432459374.db2.gz QDOXGFUNPMHJBS-UHFFFAOYSA-N 1 0 313.357 3.209 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)C1CCCC1 ZINC000184665198 432417046 /nfs/dbraw/zinc/41/70/46/432417046.db2.gz JGWYILKBCUEBJR-ZDUSSCGKSA-N 1 0 319.405 3.400 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)C1CCCC1 ZINC000184665221 432417282 /nfs/dbraw/zinc/41/72/82/432417282.db2.gz JGWYILKBCUEBJR-CYBMUJFWSA-N 1 0 319.405 3.400 10 5 DGBERO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CC3(CCO)CC3)o2)c1 ZINC000186173964 432564630 /nfs/dbraw/zinc/56/46/30/432564630.db2.gz ORCCCLGOLGKZHB-UHFFFAOYSA-N 1 0 316.357 3.107 10 5 DGBERO Cc1cc(N2CCCSCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272869379 432537376 /nfs/dbraw/zinc/53/73/76/432537376.db2.gz SGCZRBVEDCZPFA-UHFFFAOYSA-N 1 0 303.387 3.395 10 5 DGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245455622 432833730 /nfs/dbraw/zinc/83/37/30/432833730.db2.gz SPVGFGAPGALVRZ-HOTGVXAUSA-N 1 0 317.433 3.464 10 5 DGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000414566674 433727787 /nfs/dbraw/zinc/72/77/87/433727787.db2.gz FZFHCFIHHGLHRH-NWDJSDSRSA-N 1 0 304.390 3.139 10 5 DGBERO CC[N@H+](C)[C@H]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000302775383 433860850 /nfs/dbraw/zinc/86/08/50/433860850.db2.gz OIXQXAAHBCGWEY-NSHDSACASA-N 1 0 317.311 3.144 10 5 DGBERO C[C@@H]1[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CCC12CCOCC2 ZINC000408204614 434551105 /nfs/dbraw/zinc/55/11/05/434551105.db2.gz OGXRYYVVWZWZNY-LBPRGKRZSA-N 1 0 308.353 3.125 10 5 DGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CO)CC1CCCC1 ZINC000554722106 434943581 /nfs/dbraw/zinc/94/35/81/434943581.db2.gz HBRLJEKPPRKBJB-DZGCQCFKSA-N 1 0 306.406 3.495 10 5 DGBERO O=[N+]([O-])c1ccc(N2CCC[N@H+](CC3CCCCC3)CC2)cn1 ZINC000558201246 435079829 /nfs/dbraw/zinc/07/98/29/435079829.db2.gz QGAXNDBJOIFNOK-UHFFFAOYSA-N 1 0 318.421 3.082 10 5 DGBERO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)[C@H](C)OC ZINC000467390233 435119606 /nfs/dbraw/zinc/11/96/06/435119606.db2.gz UZLGQWYDJLRIHN-AVGNSLFASA-N 1 0 312.435 3.479 10 5 DGBERO C[C@H](CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000491053596 435698127 /nfs/dbraw/zinc/69/81/27/435698127.db2.gz OITPCFMKZYJOLU-RDTXWAMCSA-N 1 0 313.401 3.224 10 5 DGBERO Cc1ccc([C@H](C)[NH2+]CCN2CC=C(C)CC2)cc1[N+](=O)[O-] ZINC000547281246 314352944 /nfs/dbraw/zinc/35/29/44/314352944.db2.gz TZSFRJUMMPOINZ-HNNXBMFYSA-N 1 0 303.406 3.206 10 5 DGBERO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000156992519 527349254 /nfs/dbraw/zinc/34/92/54/527349254.db2.gz HGXFYEWWCMHVSK-CYBMUJFWSA-N 1 0 303.387 3.431 10 5 DGBERO CCOc1cc(N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000301965452 528308726 /nfs/dbraw/zinc/30/87/26/528308726.db2.gz UUXHIBBOXDTIES-ZFWWWQNUSA-N 1 0 321.421 3.160 10 5 DGBERO C[C@@H]([NH3+])[C@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000300246119 617641869 /nfs/dbraw/zinc/64/18/69/617641869.db2.gz IACASKGWJPEVOQ-SFYZADRCSA-N 1 0 304.177 3.075 10 5 DGBERO [NH3+]CC[C@H]1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000236263360 655950237 /nfs/dbraw/zinc/95/02/37/655950237.db2.gz XKZMDRHIPFWAPE-SECBINFHSA-N 1 0 318.204 3.467 10 5 DGBERO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000177984959 655952087 /nfs/dbraw/zinc/95/20/87/655952087.db2.gz PAZSJIOIOWOFJF-CZUORRHYSA-N 1 0 324.808 3.375 10 5 DGBERO Cc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000058093511 659053095 /nfs/dbraw/zinc/05/30/95/659053095.db2.gz YLPSWFREDZJINX-UHFFFAOYSA-N 1 0 315.329 3.144 10 5 DGBERO COCC(C)(C)CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000718685364 662260409 /nfs/dbraw/zinc/26/04/09/662260409.db2.gz MYDBBXOERVGRDY-UHFFFAOYSA-N 1 0 300.786 3.401 10 5 DGBERO C[C@@H]1C[C@@H](N(C)C/C=C/c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000093643893 193281278 /nfs/dbraw/zinc/28/12/78/193281278.db2.gz FMDWXMXQVFURNA-BIYNOUFRSA-N 1 0 303.406 3.023 10 5 DGBERO C[C@@H]1C[C@H](N(C)C/C=C/c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000093643891 193281739 /nfs/dbraw/zinc/28/17/39/193281739.db2.gz FMDWXMXQVFURNA-UVMHCMFPSA-N 1 0 303.406 3.023 10 5 DGBERO C[C@@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])c3cnccc32)CC[N@@H+]1C ZINC000266239354 205206721 /nfs/dbraw/zinc/20/67/21/205206721.db2.gz KYHZLIAIZDVQSD-OLZOCXBDSA-N 1 0 314.389 3.062 10 5 DGBERO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000246611729 432149139 /nfs/dbraw/zinc/14/91/39/432149139.db2.gz NEIIVNYPBMWVPH-GDBMZVCRSA-N 1 0 316.357 3.276 10 5 DGBERO CN(c1ccccc1)c1ncnc(Nc2cc[nH+]cc2)c1[N+](=O)[O-] ZINC000040586356 183105609 /nfs/dbraw/zinc/10/56/09/183105609.db2.gz HWXNZBONTBNDIR-UHFFFAOYSA-N 1 0 322.328 3.291 10 5 DGBERO CCc1nccn1[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000105896670 194162270 /nfs/dbraw/zinc/16/22/70/194162270.db2.gz NLLNXUACUUHBIW-HNNXBMFYSA-N 1 0 314.389 3.191 10 5 DGBERO CCN1CCC[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000249041484 285048568 /nfs/dbraw/zinc/04/85/68/285048568.db2.gz UUGOKBMTJSYXIL-YOEHRIQHSA-N 1 0 303.406 3.046 10 5 DGBERO CC[N@@H+]1CC[C@H](N(C)C/C=C\c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000255375627 285151149 /nfs/dbraw/zinc/15/11/49/285151149.db2.gz VJRRTZZSAQIOLF-OWWQLCIYSA-N 1 0 317.433 3.270 10 5 DGBERO C[C@H](C(=O)OC(C)(C)C)N(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255560778 285164265 /nfs/dbraw/zinc/16/42/65/285164265.db2.gz KQBXBFUDNYSNEY-CHOZFAJLSA-N 1 0 320.389 3.270 10 5 DGBERO CC(C)c1ccc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000174809922 400863244 /nfs/dbraw/zinc/86/32/44/400863244.db2.gz LQJFXLCHUFPNER-CYBMUJFWSA-N 1 0 302.378 3.266 10 5 DGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCO[C@@H]1CC1(F)F ZINC000594972076 401214361 /nfs/dbraw/zinc/21/43/61/401214361.db2.gz XTVIVAHSKVSRKZ-SMJHDNPOSA-N 1 0 312.316 3.012 10 5 DGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000600208275 401221924 /nfs/dbraw/zinc/22/19/24/401221924.db2.gz PNOJNJYPFKQZMT-ANVZNTJQSA-N 1 0 316.401 3.093 10 5 DGBERO C[C@@H]([NH2+][C@@H](C)C1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000172171012 432202021 /nfs/dbraw/zinc/20/20/21/432202021.db2.gz WRAPGLYGJQSBON-NWDGAFQWSA-N 1 0 305.378 3.090 10 5 DGBERO CC[C@H]([NH2+][C@H]1CN(C(C)C)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000247076232 432200273 /nfs/dbraw/zinc/20/02/73/432200273.db2.gz NHSLSPWJJUZHFI-COXVUDFISA-N 1 0 305.422 3.364 10 5 DGBERO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)CC2CCCC2)cc1[N+](=O)[O-] ZINC000191062667 432215968 /nfs/dbraw/zinc/21/59/68/432215968.db2.gz RFDLBQQXBCYRSP-CZUORRHYSA-N 1 0 306.406 3.495 10 5 DGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[N@@H+](C2CC2)CC1 ZINC000182716147 432221191 /nfs/dbraw/zinc/22/11/91/432221191.db2.gz MXNCINUTUJKQKG-AWEZNQCLSA-N 1 0 303.406 3.134 10 5 DGBERO Cc1nc2cc(N[C@H]3CCCC[C@@H]3[NH3+])c([N+](=O)[O-])cc2s1 ZINC000038050839 274849733 /nfs/dbraw/zinc/84/97/33/274849733.db2.gz WNKFGRSVVJSVRP-UWVGGRQHSA-N 1 0 306.391 3.195 10 5 DGBERO COCCCOC1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000122569310 431837160 /nfs/dbraw/zinc/83/71/60/431837160.db2.gz GKEYKCZGBWWRSO-CQSZACIVSA-N 1 0 322.405 3.173 10 5 DGBERO Cc1nn(C)c(C)c1CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000124206977 431886013 /nfs/dbraw/zinc/88/60/13/431886013.db2.gz SBUVOJRPMHRZTB-LBPRGKRZSA-N 1 0 316.405 3.147 10 5 DGBERO CC(C)C[C@@H](C[NH+](C)C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000049963691 431945505 /nfs/dbraw/zinc/94/55/05/431945505.db2.gz KHABQXMBTJKSCY-ZDUSSCGKSA-N 1 0 313.829 3.314 10 5 DGBERO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)cc1 ZINC000127846814 431982338 /nfs/dbraw/zinc/98/23/38/431982338.db2.gz HMDFHTWVANPLQS-SJORKVTESA-N 1 0 314.389 3.107 10 5 DGBERO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1CCCO1 ZINC000128025765 431986221 /nfs/dbraw/zinc/98/62/21/431986221.db2.gz DRBXKLKRMWBATI-OAHLLOKOSA-N 1 0 316.357 3.466 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000183389494 432287790 /nfs/dbraw/zinc/28/77/90/432287790.db2.gz LLJIVLKHXMIBHF-MRXNPFEDSA-N 1 0 314.389 3.146 10 5 DGBERO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000128566975 431996639 /nfs/dbraw/zinc/99/66/39/431996639.db2.gz KMTCGOCQIJOOBF-GDBMZVCRSA-N 1 0 300.362 3.065 10 5 DGBERO O=[N+]([O-])c1cnc(N2CC[NH+](C3CCCCC3)CC2)c(Cl)c1 ZINC000152441239 432334703 /nfs/dbraw/zinc/33/47/03/432334703.db2.gz YPUKNXMNDJNNCU-UHFFFAOYSA-N 1 0 324.812 3.098 10 5 DGBERO O=[N+]([O-])c1cc(CN2CCC(c3cc[nH]n3)CC2)ccc1Cl ZINC000153672903 432432761 /nfs/dbraw/zinc/43/27/61/432432761.db2.gz QTWZLYMFBTXBOJ-UHFFFAOYSA-N 1 0 320.780 3.351 10 5 DGBERO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc2c1NCC2 ZINC000261679722 432440853 /nfs/dbraw/zinc/44/08/53/432440853.db2.gz GUDKUZDOMKSJPD-UHFFFAOYSA-N 1 0 311.385 3.237 10 5 DGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)C1CCCC1 ZINC000184654640 432417565 /nfs/dbraw/zinc/41/75/65/432417565.db2.gz PCBRPVJJPFRGLR-ZDUSSCGKSA-N 1 0 319.405 3.400 10 5 DGBERO Cc1nc2cc(N[C@H]3CCCC[C@H]3[NH3+])c([N+](=O)[O-])cc2s1 ZINC000038050841 282054080 /nfs/dbraw/zinc/05/40/80/282054080.db2.gz WNKFGRSVVJSVRP-ZJUUUORDSA-N 1 0 306.391 3.195 10 5 DGBERO CC[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)CC)c1cccc([N+](=O)[O-])c1 ZINC000178670685 432765386 /nfs/dbraw/zinc/76/53/86/432765386.db2.gz YBCNHMMIGZGTAL-SWLSCSKDSA-N 1 0 321.421 3.329 10 5 DGBERO COc1cnccc1[C@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000189569865 432800924 /nfs/dbraw/zinc/80/09/24/432800924.db2.gz YKLXSMKLDPILFJ-IYNGYCSASA-N 1 0 313.357 3.362 10 5 DGBERO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245724953 432858943 /nfs/dbraw/zinc/85/89/43/432858943.db2.gz IPYSIQWIIJLGJM-HOCLYGCPSA-N 1 0 305.422 3.065 10 5 DGBERO COc1cc(NCC[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000301616854 433643920 /nfs/dbraw/zinc/64/39/20/433643920.db2.gz KAWAUBYGAPSGID-NSHDSACASA-N 1 0 311.357 3.029 10 5 DGBERO Cc1ccnc(N[C@@H](C)C[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000302004602 433806768 /nfs/dbraw/zinc/80/67/68/433806768.db2.gz KJMTYTUGZWAALY-AWEZNQCLSA-N 1 0 314.389 3.231 10 5 DGBERO [NH3+]CC[C@H](Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(F)F ZINC000394814856 293835200 /nfs/dbraw/zinc/83/52/00/293835200.db2.gz QPDLYJCHGFRRKM-QMMMGPOBSA-N 1 0 314.119 3.296 10 5 DGBERO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H](CO)CC1CCCC1 ZINC000509453569 294352915 /nfs/dbraw/zinc/35/29/15/294352915.db2.gz ZJRKIDYAYPGSHB-MEMKZHQFSA-N 1 0 304.390 3.139 10 5 DGBERO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)CC2CCCC2)cc1[N+](=O)[O-] ZINC000511025833 294398862 /nfs/dbraw/zinc/39/88/62/294398862.db2.gz GEMIXPVGZVGQEY-CZUORRHYSA-N 1 0 306.406 3.495 10 5 DGBERO Cc1ccc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000179960663 323218732 /nfs/dbraw/zinc/21/87/32/323218732.db2.gz JSWXYUOGPRYXCQ-AWEZNQCLSA-N 1 0 320.389 3.067 10 5 DGBERO CC(C)C[C@H](CO)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000185343712 323387859 /nfs/dbraw/zinc/38/78/59/323387859.db2.gz PVZABFCUWUFMIP-CYBMUJFWSA-N 1 0 300.786 3.087 10 5 DGBERO CCn1cc(C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000160462348 523356710 /nfs/dbraw/zinc/35/67/10/523356710.db2.gz WPMWFOCLNWBKMI-UHFFFAOYSA-N 1 0 314.389 3.191 10 5 DGBERO CC[NH+](CC)CC1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000742392993 574996302 /nfs/dbraw/zinc/99/63/02/574996302.db2.gz BELVYAAAXPYCIV-UHFFFAOYSA-N 1 0 309.385 3.292 10 5 DGBERO CC[C@@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC[C@H]1[NH3+] ZINC000300265056 617642313 /nfs/dbraw/zinc/64/23/13/617642313.db2.gz DXDCCAUIOLDSLJ-PRHODGIISA-N 1 0 318.204 3.465 10 5 DGBERO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(C(C)(C)C)cc1 ZINC000130985343 625927163 /nfs/dbraw/zinc/92/71/63/625927163.db2.gz ZTMXLVZTUFAIKR-CYBMUJFWSA-N 1 0 316.405 3.440 10 5 DGBERO C[C@H]([NH3+])[C@@H]1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000235501544 655915264 /nfs/dbraw/zinc/91/52/64/655915264.db2.gz HGTWZFNQZKTVQM-DTWKUNHWSA-N 1 0 318.204 3.465 10 5 DGBERO C[C@H]([NH3+])[C@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000235507218 655915586 /nfs/dbraw/zinc/91/55/86/655915586.db2.gz IACASKGWJPEVOQ-YUMQZZPRSA-N 1 0 304.177 3.075 10 5 DGBERO C[C@H]([NH3+])[C@@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000235508424 655915594 /nfs/dbraw/zinc/91/55/94/655915594.db2.gz IACASKGWJPEVOQ-JGVFFNPUSA-N 1 0 304.177 3.075 10 5 DGBERO C[NH+](C)CC(C)(C)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000308646368 1199703974 /nfs/dbraw/zinc/70/39/74/1199703974.db2.gz FOIPGSJOWXGKCB-UHFFFAOYSA-N 1 0 316.199 3.109 10 5 DGBERO Cc1ccc(CN2CCCC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000092785617 185341044 /nfs/dbraw/zinc/34/10/44/185341044.db2.gz OOPLMVPJPLMRFB-KRWDZBQOSA-N 1 0 317.433 3.354 10 5 DGBERO Cc1c(NC(=O)CC[N@@H+]2C[C@H](C)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000072897158 191249951 /nfs/dbraw/zinc/24/99/51/191249951.db2.gz CEWYYWYRDBXMBJ-OLZOCXBDSA-N 1 0 319.405 3.352 10 5 DGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000072981245 191263913 /nfs/dbraw/zinc/26/39/13/191263913.db2.gz MZODIGWTAHCBTL-HOCLYGCPSA-N 1 0 305.422 3.462 10 5 DGBERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000180124483 199120441 /nfs/dbraw/zinc/12/04/41/199120441.db2.gz MMXDQGIUVROZHV-INIZCTEOSA-N 1 0 314.389 3.073 10 5 DGBERO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)CC1(CO)CC1 ZINC000188954740 200327041 /nfs/dbraw/zinc/32/70/41/200327041.db2.gz ICXRIJUHSJXRPS-UHFFFAOYSA-N 1 0 316.357 3.059 10 5 DGBERO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cn2ccccc2n1 ZINC000556232864 370702230 /nfs/dbraw/zinc/70/22/30/370702230.db2.gz DCHFODNHFRWLOV-CYBMUJFWSA-N 1 0 310.357 3.136 10 5 DGBERO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H]2c2ccco2)c1 ZINC000246217376 432109376 /nfs/dbraw/zinc/10/93/76/432109376.db2.gz CZRUQDLOMYHWFR-LSDHHAIUSA-N 1 0 302.330 3.058 10 5 DGBERO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc(-c3ccccc3)n[nH]2)cc1 ZINC000136050165 284494006 /nfs/dbraw/zinc/49/40/06/284494006.db2.gz YCKNMLRRIOXGJO-UHFFFAOYSA-N 1 0 322.368 3.317 10 5 DGBERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000105894948 194161117 /nfs/dbraw/zinc/16/11/17/194161117.db2.gz XTTCYKXZIFEQIE-INIZCTEOSA-N 1 0 314.389 3.282 10 5 DGBERO CC[C@@H]([NH2+][C@@H](C)CCn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000158928936 197312419 /nfs/dbraw/zinc/31/24/19/197312419.db2.gz DXSQLKWHPYBHDF-XJKSGUPXSA-N 1 0 302.378 3.311 10 5 DGBERO O=[N+]([O-])c1ccccc1CN1CCO[C@@H](c2cccs2)C1 ZINC000157944834 197229336 /nfs/dbraw/zinc/22/93/36/197229336.db2.gz UOZLMUBESWOICP-CQSZACIVSA-N 1 0 304.371 3.230 10 5 DGBERO CC[C@@H]([NH2+]C1CCC(NC(C)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000155235211 197034946 /nfs/dbraw/zinc/03/49/46/197034946.db2.gz AJNINOXDINIGGK-VMBOVVBDSA-N 1 0 319.405 3.083 10 5 DGBERO C[N@+]12CCCC[C@H]1[C@H](COC(=O)Cc1ccccc1)CCC2 ZINC000253614785 257104806 /nfs/dbraw/zinc/10/48/06/257104806.db2.gz BODPOXCWBVHGKA-CMKODMSKSA-N 1 0 302.438 3.181 10 5 DGBERO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)Cc1cc(C)n[nH]1 ZINC000468738304 533410450 /nfs/dbraw/zinc/41/04/50/533410450.db2.gz HAEUOKOQGMIJLP-BWODNOAJSA-N 1 0 314.389 3.250 10 5 DGBERO O=[N+]([O-])[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC000115490382 400397803 /nfs/dbraw/zinc/39/78/03/400397803.db2.gz YCDZWQNDXSITIX-DLBZAZTESA-N 1 0 300.333 3.070 10 5 DGBERO O=[N+]([O-])c1ccc(NCC2CC[NH2+]CC2)cc1C(F)(F)F ZINC000044509183 400493920 /nfs/dbraw/zinc/49/39/20/400493920.db2.gz TXQJJWCTYBOXJA-UHFFFAOYSA-N 1 0 303.284 3.025 10 5 DGBERO CCC(CC)NC(=O)[C@H](C)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000090068802 401253146 /nfs/dbraw/zinc/25/31/46/401253146.db2.gz SJHLZOSWKCSODU-LRDDRELGSA-N 1 0 321.421 3.329 10 5 DGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000182878805 292295939 /nfs/dbraw/zinc/29/59/39/292295939.db2.gz DADLMKPODSRQBQ-GOEBONIOSA-N 1 0 303.406 3.134 10 5 DGBERO O=[N+]([O-])c1ccc(Cl)c(CN2CCC([NH+]3CCCC3)CC2)c1 ZINC000172178817 164652919 /nfs/dbraw/zinc/65/29/19/164652919.db2.gz FWRAOHDSNUWTQR-UHFFFAOYSA-N 1 0 323.824 3.308 10 5 DGBERO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000136817076 432163584 /nfs/dbraw/zinc/16/35/84/432163584.db2.gz PGOAYXXHARDLRY-QLJPJBMISA-N 1 0 322.311 3.257 10 5 DGBERO Cc1ccc([C@H](C)[NH2+]CCN2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000247250524 432215801 /nfs/dbraw/zinc/21/58/01/432215801.db2.gz ZQBHXCBOFSCMSY-CABCVRRESA-N 1 0 305.422 3.428 10 5 DGBERO COc1ccc(OCC[NH2+][C@H](C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000184641264 228385543 /nfs/dbraw/zinc/38/55/43/228385543.db2.gz JSEQRJMTOAZXRX-GFCCVEGCSA-N 1 0 308.378 3.151 10 5 DGBERO O=[N+]([O-])c1ccc(C[NH+]2CCC(C3CCOCC3)CC2)cc1F ZINC000368949347 271224482 /nfs/dbraw/zinc/22/44/82/271224482.db2.gz HXSXRPRKJJATAR-UHFFFAOYSA-N 1 0 322.380 3.373 10 5 DGBERO CC[NH+](CC)[C@H](C)CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000112074173 273642120 /nfs/dbraw/zinc/64/21/20/273642120.db2.gz HMTWZNIBHSFZCL-GFCCVEGCSA-N 1 0 302.378 3.285 10 5 DGBERO C[C@@H]1CCC[N@@H+]1C1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000154945486 274292798 /nfs/dbraw/zinc/29/27/98/274292798.db2.gz OBCAWGWAQQRVHN-GFCCVEGCSA-N 1 0 307.369 3.187 10 5 DGBERO C[C@H]1[NH2+]CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000229604514 274630813 /nfs/dbraw/zinc/63/08/13/274630813.db2.gz SYPDRIDZBXKJBE-KCJUWKMLSA-N 1 0 303.284 3.166 10 5 DGBERO C[C@@H]1CC[C@@H](C)[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000072897666 431357079 /nfs/dbraw/zinc/35/70/79/431357079.db2.gz XIAASLOYXKCVSU-VXGBXAGGSA-N 1 0 316.361 3.265 10 5 DGBERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000085638209 431841405 /nfs/dbraw/zinc/84/14/05/431841405.db2.gz GYUUCWIFYGRAOY-LBPRGKRZSA-N 1 0 322.409 3.063 10 5 DGBERO O=[N+]([O-])c1ccc2oc(OCCC[C@@H]3CCCC[NH2+]3)nc2c1 ZINC000095092047 431922417 /nfs/dbraw/zinc/92/24/17/431922417.db2.gz KAICNXICZUWTLG-NSHDSACASA-N 1 0 305.334 3.037 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000183289039 432277452 /nfs/dbraw/zinc/27/74/52/432277452.db2.gz XOWWGHNRAAYJKE-AWEZNQCLSA-N 1 0 300.362 3.006 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000183370789 432286521 /nfs/dbraw/zinc/28/65/21/432286521.db2.gz NOKNKWHOLVFYGL-INIZCTEOSA-N 1 0 317.433 3.211 10 5 DGBERO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000183154588 432263244 /nfs/dbraw/zinc/26/32/44/432263244.db2.gz XRUBNQBUGFODBY-WFASDCNBSA-N 1 0 308.378 3.039 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@](C)(O)c1ccc(F)cc1 ZINC000183634509 432311263 /nfs/dbraw/zinc/31/12/63/432311263.db2.gz DELSUSJCINLBFK-QGZVFWFLSA-N 1 0 318.348 3.040 10 5 DGBERO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000153942584 432457642 /nfs/dbraw/zinc/45/76/42/432457642.db2.gz KJXSBQSNHDQYSM-NOLJZWGESA-N 1 0 322.405 3.195 10 5 DGBERO CCC1(CC)CN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC[S@]1=O ZINC000185244552 432482478 /nfs/dbraw/zinc/48/24/78/432482478.db2.gz SODIKGVFIGFHSP-WHEQGISXSA-N 1 0 324.446 3.279 10 5 DGBERO CC(C)c1ccc([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176194524 432499761 /nfs/dbraw/zinc/49/97/61/432499761.db2.gz NFKIHFUVSGYOKR-CYBMUJFWSA-N 1 0 302.378 3.266 10 5 DGBERO C[C@H](c1ccc(Cl)cc1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176204293 432500169 /nfs/dbraw/zinc/50/01/69/432500169.db2.gz WSUXQOKTYZXIDV-LLVKDONJSA-N 1 0 308.769 3.138 10 5 DGBERO CC(C)[N@+]1(C)[C@@H]2CC[C@H]1C[C@@H](C(=O)[C@@H](CO)c1ccccc1)C2 ZINC000263583932 432559496 /nfs/dbraw/zinc/55/94/96/432559496.db2.gz FPHNWKCKNIVGKU-FIRLOTFOSA-N 1 0 316.465 3.128 10 5 DGBERO CC(C)[N@@+]1(C)[C@@H]2CC[C@H]1C[C@@H](C(=O)[C@@H](CO)c1ccccc1)C2 ZINC000263583934 432559849 /nfs/dbraw/zinc/55/98/49/432559849.db2.gz FPHNWKCKNIVGKU-RVDAZCDBSA-N 1 0 316.465 3.128 10 5 DGBERO CC[N@@H+]1CCC[C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000194380749 432546171 /nfs/dbraw/zinc/54/61/71/432546171.db2.gz PSKADNPGGVUUPH-ZDUSSCGKSA-N 1 0 300.362 3.039 10 5 DGBERO COc1cnccc1[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000187050379 432642523 /nfs/dbraw/zinc/64/25/23/432642523.db2.gz FIXGYPNJPMIVPX-NWDGAFQWSA-N 1 0 301.346 3.410 10 5 DGBERO C[C@H](C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000227304039 432711255 /nfs/dbraw/zinc/71/12/55/432711255.db2.gz BNJOBSRYZZDCDW-VXGBXAGGSA-N 1 0 323.393 3.159 10 5 DGBERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000178323283 432720348 /nfs/dbraw/zinc/72/03/48/432720348.db2.gz AOIOQJLQIDMPOY-MRXNPFEDSA-N 1 0 314.389 3.073 10 5 DGBERO C[C@H]([NH2+]Cc1ccc(CO)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178566352 432754011 /nfs/dbraw/zinc/75/40/11/432754011.db2.gz JTUCRYWDIDJCAC-NSHDSACASA-N 1 0 304.321 3.077 10 5 DGBERO CC[C@@H]([NH2+][C@H](C)CC(=O)N(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000161627095 432789706 /nfs/dbraw/zinc/78/97/06/432789706.db2.gz CDERMUJSMAMJEX-CZUORRHYSA-N 1 0 321.421 3.283 10 5 DGBERO C[NH+]1CCC2(CCCN2Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000375472338 433474522 /nfs/dbraw/zinc/47/45/22/433474522.db2.gz KJKBFHAOXHGTKF-UHFFFAOYSA-N 1 0 323.824 3.308 10 5 DGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000414566677 433729357 /nfs/dbraw/zinc/72/93/57/433729357.db2.gz FZFHCFIHHGLHRH-RDDKRXPLSA-N 1 0 304.390 3.139 10 5 DGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000560943251 435196399 /nfs/dbraw/zinc/19/63/99/435196399.db2.gz DWCJIYPNMIMLKX-MLGOLLRUSA-N 1 0 314.389 3.365 10 5 DGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1cnn(C)c1C ZINC000518685381 435649773 /nfs/dbraw/zinc/64/97/73/435649773.db2.gz FZLYRKDKHTUFBE-JYRVWZFOSA-N 1 0 314.389 3.172 10 5 DGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CO)CC1CCCC1 ZINC000554722110 314697163 /nfs/dbraw/zinc/69/71/63/314697163.db2.gz HBRLJEKPPRKBJB-ZFWWWQNUSA-N 1 0 306.406 3.495 10 5 DGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCOCC1CCC1 ZINC000574130484 315934314 /nfs/dbraw/zinc/93/43/14/315934314.db2.gz PWNNWOOERZVSRB-UVTDQMKNSA-N 1 0 304.390 3.404 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000183310895 323333784 /nfs/dbraw/zinc/33/37/84/323333784.db2.gz BLACPICAQPZERP-UHFFFAOYSA-N 1 0 317.433 3.354 10 5 DGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000583097227 324313423 /nfs/dbraw/zinc/31/34/23/324313423.db2.gz XZJMNILVHKMEPU-JOHMGYAOSA-N 1 0 312.316 3.312 10 5 DGBERO Cc1c([C@H](C)[NH2+]Cc2cccnc2N(C)C)cccc1[N+](=O)[O-] ZINC000154763818 525919451 /nfs/dbraw/zinc/91/94/51/525919451.db2.gz UGJGBSPQHLIINJ-ZDUSSCGKSA-N 1 0 314.389 3.215 10 5 DGBERO CC(C)(C)C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178862757 657090689 /nfs/dbraw/zinc/09/06/89/657090689.db2.gz ILCXCUZTXSDKBB-INIZCTEOSA-N 1 0 306.406 3.386 10 5 DGBERO C[C@H]1C[C@H](N(C)Cc2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+]1C ZINC000172847801 659359844 /nfs/dbraw/zinc/35/98/44/659359844.db2.gz FSUFOJQAEKQXDY-WCQYABFASA-N 1 0 311.813 3.163 10 5 DGBERO C/C=C1\C[N@@+]2(C)[C@@H]3Cc4c5ccccc5[nH]c4[C@@H]2C[C@H]1[C@@H]3CO ZINC000254877869 717170943 /nfs/dbraw/zinc/17/09/43/717170943.db2.gz KRTATNOTKFNEFT-LHSWFSCASA-N 1 0 309.433 3.169 10 5 DGBERO CC[C@H]([NH2+][C@@H](C)C(=O)NC(C)(C)CC)c1cccc([N+](=O)[O-])c1 ZINC000090068746 185280504 /nfs/dbraw/zinc/28/05/04/185280504.db2.gz YBCNHMMIGZGTAL-WFASDCNBSA-N 1 0 321.421 3.329 10 5 DGBERO CC[C@H]([NH2+]CC(=O)N1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000181525426 199310495 /nfs/dbraw/zinc/31/04/95/199310495.db2.gz VCRCNZIQRQOMTR-INIZCTEOSA-N 1 0 319.405 3.038 10 5 DGBERO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccs1 ZINC000179693354 186207105 /nfs/dbraw/zinc/20/71/05/186207105.db2.gz YLDJBKYYXLMOER-SNVBAGLBSA-N 1 0 320.370 3.374 10 5 DGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000183880850 186227222 /nfs/dbraw/zinc/22/72/22/186227222.db2.gz PJOPRMTZLNENAP-HIFRSBDPSA-N 1 0 320.389 3.131 10 5 DGBERO C[C@@H]([NH2+]C[C@@H](O)c1cc(F)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000180444717 199160643 /nfs/dbraw/zinc/16/06/43/199160643.db2.gz KSPNQNHAMUJVEV-QLJPJBMISA-N 1 0 322.311 3.257 10 5 DGBERO O=[N+]([O-])c1ccc(Nc2cccc(CC[NH+]3CCCC3)c2)cn1 ZINC000450416015 240692037 /nfs/dbraw/zinc/69/20/37/240692037.db2.gz FRFMXAZEDKDRAI-UHFFFAOYSA-N 1 0 312.373 3.372 10 5 DGBERO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CCCCC3)CC2)cn1 ZINC000474178045 244375307 /nfs/dbraw/zinc/37/53/07/244375307.db2.gz OHCCWGBZVPGXMM-UHFFFAOYSA-N 1 0 304.394 3.199 10 5 DGBERO CN(CC(C)(C)C[NH3+])c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000093874556 193322120 /nfs/dbraw/zinc/32/21/20/193322120.db2.gz OPIMQVRJIRGUFE-UHFFFAOYSA-N 1 0 305.300 3.035 10 5 DGBERO CC(C)[C@H](C)[NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000015415253 182001007 /nfs/dbraw/zinc/00/10/07/182001007.db2.gz UKPKGAKNZBGCSU-WDEREUQCSA-N 1 0 304.350 3.340 10 5 DGBERO CC(C)[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000016519023 182048564 /nfs/dbraw/zinc/04/85/64/182048564.db2.gz PLOBQCCBCHTILX-NXEZZACHSA-N 1 0 313.785 3.209 10 5 DGBERO CC(C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1Br ZINC000053302761 183897708 /nfs/dbraw/zinc/89/77/08/183897708.db2.gz TYDMYBMWAYZJLI-UHFFFAOYSA-N 1 0 301.184 3.145 10 5 DGBERO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCc1ncc(C)s1 ZINC000157532141 197193684 /nfs/dbraw/zinc/19/36/84/197193684.db2.gz UVNWWDUMHVTTBD-UHFFFAOYSA-N 1 0 321.402 3.043 10 5 DGBERO Cc1nn(C)c(C)c1CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000124206778 195615372 /nfs/dbraw/zinc/61/53/72/195615372.db2.gz SBUVOJRPMHRZTB-GFCCVEGCSA-N 1 0 316.405 3.147 10 5 DGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC([C@@H](C)O)CC1 ZINC000470171304 533382923 /nfs/dbraw/zinc/38/29/23/533382923.db2.gz IAIQUAAGSBTQDB-QLKUMGTLSA-N 1 0 304.390 3.091 10 5 DGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000470181808 533383265 /nfs/dbraw/zinc/38/32/65/533383265.db2.gz HDHZTLGEYDYRCA-PVLDGPILSA-N 1 0 317.433 3.413 10 5 DGBERO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)Cc1cc(C)n[nH]1 ZINC000468738313 533384213 /nfs/dbraw/zinc/38/42/13/533384213.db2.gz HAEUOKOQGMIJLP-FFXRNRBCSA-N 1 0 314.389 3.250 10 5 DGBERO C[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCCC1 ZINC000184637810 533469664 /nfs/dbraw/zinc/46/96/64/533469664.db2.gz VYWGSIYGAXMRQL-LLVKDONJSA-N 1 0 316.361 3.313 10 5 DGBERO CCOc1ccc([C@@H](C)[NH2+]CCOCC2CCC2)cc1[N+](=O)[O-] ZINC000613242565 400681160 /nfs/dbraw/zinc/68/11/60/400681160.db2.gz DDMTVEMGDHKTFN-CYBMUJFWSA-N 1 0 322.405 3.461 10 5 DGBERO Cc1nn(C)c(C)c1CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000177745539 164814790 /nfs/dbraw/zinc/81/47/90/164814790.db2.gz COQYPTQLVRBMCN-GFCCVEGCSA-N 1 0 316.405 3.147 10 5 DGBERO CC(C)C[C@@H](CO)[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000185332296 165000410 /nfs/dbraw/zinc/00/04/10/165000410.db2.gz IZLYVUAIVZEKCB-ZDUSSCGKSA-N 1 0 300.786 3.087 10 5 DGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193858036 165333843 /nfs/dbraw/zinc/33/38/43/165333843.db2.gz OOMYVOWGDPYMLZ-OCCSQVGLSA-N 1 0 300.362 3.259 10 5 DGBERO COc1ccc(OCC[NH2+][C@H](C)c2cccs2)c([N+](=O)[O-])c1 ZINC000182546199 432203599 /nfs/dbraw/zinc/20/35/99/432203599.db2.gz JKZLGYUQCUOYLS-LLVKDONJSA-N 1 0 322.386 3.395 10 5 DGBERO CC(C)[C@@H](C)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000172673549 432228015 /nfs/dbraw/zinc/22/80/15/432228015.db2.gz CQWNZPIFNHUXBJ-ZDUSSCGKSA-N 1 0 316.405 3.377 10 5 DGBERO Cn1cc([C@@H]2CCC[N@@H+]2C/C=C/c2ccccc2[N+](=O)[O-])cn1 ZINC000131832703 196202677 /nfs/dbraw/zinc/20/26/77/196202677.db2.gz DNOXMRDQTXQDOC-RRGWEWPQSA-N 1 0 312.373 3.179 10 5 DGBERO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000184642842 228385988 /nfs/dbraw/zinc/38/59/88/228385988.db2.gz MYNGRFONBJISRQ-LBPRGKRZSA-N 1 0 305.378 3.092 10 5 DGBERO C[NH+](C)C1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302017284 273792263 /nfs/dbraw/zinc/79/22/63/273792263.db2.gz GCYXSKRODPQSKV-UHFFFAOYSA-N 1 0 318.204 3.432 10 5 DGBERO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000187851144 274211644 /nfs/dbraw/zinc/21/16/44/274211644.db2.gz NWCWWEJYFSTTQB-ZFWWWQNUSA-N 1 0 306.406 3.463 10 5 DGBERO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)CCC2 ZINC000192891816 275038186 /nfs/dbraw/zinc/03/81/86/275038186.db2.gz FDLKURAXZXBMOG-XKQJLSEDSA-N 1 0 304.390 3.113 10 5 DGBERO CC(C)(C)Oc1cc(N2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000301883541 275525741 /nfs/dbraw/zinc/52/57/41/275525741.db2.gz NKOHBTKQJBNEKE-UHFFFAOYSA-N 1 0 319.405 3.057 10 5 DGBERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000191330000 276112200 /nfs/dbraw/zinc/11/22/00/276112200.db2.gz LHTNXEWMEIBTPT-ZDUSSCGKSA-N 1 0 322.409 3.063 10 5 DGBERO CCN1CCC[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000192717170 276178909 /nfs/dbraw/zinc/17/89/09/276178909.db2.gz UUGOKBMTJSYXIL-WMLDXEAASA-N 1 0 303.406 3.046 10 5 DGBERO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000072897667 431355199 /nfs/dbraw/zinc/35/51/99/431355199.db2.gz XIAASLOYXKCVSU-NWDGAFQWSA-N 1 0 316.361 3.265 10 5 DGBERO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000114202538 431378115 /nfs/dbraw/zinc/37/81/15/431378115.db2.gz XTRWUKYKAZUBFF-MRXNPFEDSA-N 1 0 300.362 3.088 10 5 DGBERO CC1(C)CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000077382829 431590268 /nfs/dbraw/zinc/59/02/68/431590268.db2.gz HRTWXIJKMGUOEE-UHFFFAOYSA-N 1 0 302.334 3.019 10 5 DGBERO O=[N+]([O-])c1ccc2sc(OCCC[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000095092086 431922104 /nfs/dbraw/zinc/92/21/04/431922104.db2.gz PBIYQHODHVZCQN-NSHDSACASA-N 1 0 321.402 3.363 10 5 DGBERO O=[N+]([O-])c1ccc2sc(SC[C@H]3CCCC[NH2+]3)nc2c1 ZINC000095092252 431922443 /nfs/dbraw/zinc/92/24/43/431922443.db2.gz HDJZPSDRRAMZAQ-SECBINFHSA-N 1 0 309.416 3.439 10 5 DGBERO O=[N+]([O-])c1ccc(NCC2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000044509270 431874514 /nfs/dbraw/zinc/87/45/14/431874514.db2.gz AEKFWKMQIRXAII-UHFFFAOYSA-N 1 0 303.284 3.025 10 5 DGBERO Cc1ccc([C@H](C)[NH2+][C@@H]2CN(C(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000090217382 431890027 /nfs/dbraw/zinc/89/00/27/431890027.db2.gz PFJDEBPVEFPYHZ-OFQRWUPVSA-N 1 0 305.422 3.283 10 5 DGBERO CC(C)C[C@H](C[NH+](C)C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000049963692 431945361 /nfs/dbraw/zinc/94/53/61/431945361.db2.gz KHABQXMBTJKSCY-CYBMUJFWSA-N 1 0 313.829 3.314 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248666316 432311538 /nfs/dbraw/zinc/31/15/38/432311538.db2.gz WNZQKYDUOOSPFD-DOTOQJQBSA-N 1 0 304.390 3.030 10 5 DGBERO CC[N@@H+]1CCC[C@H]1CN(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000254970078 432406508 /nfs/dbraw/zinc/40/65/08/432406508.db2.gz LBEIPCIPWKNQPM-HWYHOQROSA-N 1 0 303.406 3.024 10 5 DGBERO C[C@H]1CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000154942027 432530180 /nfs/dbraw/zinc/53/01/80/432530180.db2.gz XPRQQTAYDPUSKC-LBPRGKRZSA-N 1 0 307.369 3.187 10 5 DGBERO C[C@H]1CCC[N@@H+]1C1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000154945573 432530583 /nfs/dbraw/zinc/53/05/83/432530583.db2.gz OBCAWGWAQQRVHN-LBPRGKRZSA-N 1 0 307.369 3.187 10 5 DGBERO CC[C@@H]([NH2+][C@H](C)C(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000178099278 432694665 /nfs/dbraw/zinc/69/46/65/432694665.db2.gz NIPFPMHCAJHTOH-MLGOLLRUSA-N 1 0 319.405 3.083 10 5 DGBERO CC[N+](C)(CC)C[C@@H](O)CO[C@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000226072536 432703318 /nfs/dbraw/zinc/70/33/18/432703318.db2.gz VVKLZZCUENYXJG-MLHJIOFPSA-N 1 0 300.507 3.311 10 5 DGBERO CC[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000178360349 432726252 /nfs/dbraw/zinc/72/62/52/432726252.db2.gz OKJYLEMKMRPUHJ-KSZLIROESA-N 1 0 312.369 3.294 10 5 DGBERO CC(C)[NH+](CCNc1ncc([N+](=O)[O-])cc1Cl)C(C)C ZINC000227647975 432713469 /nfs/dbraw/zinc/71/34/69/432713469.db2.gz UOLCFCCZWMSTAD-UHFFFAOYSA-N 1 0 300.790 3.174 10 5 DGBERO Cc1nccn1C[C@@H]1CCC[N@H+]1[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000178292159 432717291 /nfs/dbraw/zinc/71/72/91/432717291.db2.gz WQJBPLXMJGRTAZ-GUYCJALGSA-N 1 0 314.389 3.325 10 5 DGBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1O ZINC000245573720 432846372 /nfs/dbraw/zinc/84/63/72/432846372.db2.gz ZYUYFSZWTZBVFS-OWIUFQIYSA-N 1 0 318.417 3.199 10 5 DGBERO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC[N@@H+](C2CC2)CC1 ZINC000302823248 433872835 /nfs/dbraw/zinc/87/28/35/433872835.db2.gz LBQJZXNFABOFHX-UHFFFAOYSA-N 1 0 309.797 3.231 10 5 DGBERO CC[C@@H](C)[NH2+][C@H](CNc1ccc([N+](=O)[O-])nc1)c1ccco1 ZINC000450527627 434244757 /nfs/dbraw/zinc/24/47/57/434244757.db2.gz HYACTPQRXYVWRW-DGCLKSJQSA-N 1 0 304.350 3.124 10 5 DGBERO C[C@H]1[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CCC12CCOCC2 ZINC000408204612 434552099 /nfs/dbraw/zinc/55/20/99/434552099.db2.gz OGXRYYVVWZWZNY-GFCCVEGCSA-N 1 0 308.353 3.125 10 5 DGBERO CCn1cc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000160464866 523355402 /nfs/dbraw/zinc/35/54/02/523355402.db2.gz JCUYDVHNHYXKRX-UHFFFAOYSA-N 1 0 314.389 3.191 10 5 DGBERO COCC(C)(C)CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000718686922 662260225 /nfs/dbraw/zinc/26/02/25/662260225.db2.gz UOYIRNIVWPPDFL-UHFFFAOYSA-N 1 0 300.786 3.401 10 5 DGBERO CC1CCC(O)(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000087063189 1177871092 /nfs/dbraw/zinc/87/10/92/1177871092.db2.gz RSIOTKRZYZBIKH-UHFFFAOYSA-N 1 0 312.797 3.279 10 5 DGBERO CC[N+](C)(CC)C[C@H](O)CO[C@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000226072545 201766959 /nfs/dbraw/zinc/76/69/59/201766959.db2.gz VVKLZZCUENYXJG-FJIDUMEYSA-N 1 0 300.507 3.311 10 5 DGBERO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000066347935 432015213 /nfs/dbraw/zinc/01/52/13/432015213.db2.gz KVVHLVWUCHNLKS-OAHLLOKOSA-N 1 0 311.385 3.306 10 5 DGBERO COc1cc2c(cc1O)CC[N+](C)(C)[C@H]2Cc1ccc(O)cc1 ZINC000014439261 290917326 /nfs/dbraw/zinc/91/73/26/290917326.db2.gz ZKTMLINFIQCERN-KRWDZBQOSA-O 1 0 314.405 3.023 10 5 endogenous,in-man DGBERO C[C@@H]1CC[C@H](C)[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000174475298 198339823 /nfs/dbraw/zinc/33/98/23/198339823.db2.gz YQWSRZAAPDRBCY-NEPJUHHUSA-N 1 0 306.362 3.082 10 5 DGBERO C[C@H]([NH2+]C[C@@H](O)c1cc(F)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000180444695 199160715 /nfs/dbraw/zinc/16/07/15/199160715.db2.gz KSPNQNHAMUJVEV-MGPLVRAMSA-N 1 0 322.311 3.257 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC[C@](C)(O)c1ccccc1 ZINC000189823290 432094434 /nfs/dbraw/zinc/09/44/34/432094434.db2.gz OQXHJGGUVNAHAH-SFHVURJKSA-N 1 0 314.385 3.291 10 5 DGBERO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3C[C@@H]4CCCC[C@H]4C3)nc2c1 ZINC000444649441 239312823 /nfs/dbraw/zinc/31/28/23/239312823.db2.gz JLUOHZCYJPNHPK-RYUDHWBXSA-N 1 0 300.362 3.093 10 5 DGBERO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000093638945 193278074 /nfs/dbraw/zinc/27/80/74/193278074.db2.gz IPYSIQWIIJLGJM-GDBMZVCRSA-N 1 0 305.422 3.065 10 5 DGBERO [NH3+][C@H]1CN(Cc2cccc(Cl)c2)c2ccc([N+](=O)[O-])cc21 ZINC000019795934 182150792 /nfs/dbraw/zinc/15/07/92/182150792.db2.gz BKDYGMNBNCUCMC-AWEZNQCLSA-N 1 0 303.749 3.268 10 5 DGBERO C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H](C)C1 ZINC000246590962 432147687 /nfs/dbraw/zinc/14/76/87/432147687.db2.gz GROMNASWMZYMFM-OLZOCXBDSA-N 1 0 320.389 3.329 10 5 DGBERO Cc1cnn([C@@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000106221101 194191351 /nfs/dbraw/zinc/19/13/51/194191351.db2.gz REQODQSZQBNTEA-MRXNPFEDSA-N 1 0 314.389 3.245 10 5 DGBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CC1(CCO)CC1 ZINC000188061747 285161449 /nfs/dbraw/zinc/16/14/49/285161449.db2.gz QMAYDZDNULNAPV-GOEBONIOSA-N 1 0 318.417 3.058 10 5 DGBERO CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000152871772 196830742 /nfs/dbraw/zinc/83/07/42/196830742.db2.gz REKUIEQDECPCMT-HUBLWGQQSA-N 1 0 308.378 3.212 10 5 DGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000470207511 533383471 /nfs/dbraw/zinc/38/34/71/533383471.db2.gz ORIZHGLUZBHDCG-GBHLFSRUSA-N 1 0 304.390 3.233 10 5 DGBERO CC[N@H+](CCO)[C@@H]1C=CC(/C=C/c2ccc([N+](=O)[O-])cc2)=CC1 ZINC000096346905 400275408 /nfs/dbraw/zinc/27/54/08/400275408.db2.gz JBXMOMCJZXCJFP-REMYHPOOSA-N 1 0 314.385 3.177 10 5 DGBERO [NH3+]CC1(CCNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000404863646 400298117 /nfs/dbraw/zinc/29/81/17/400298117.db2.gz YHVMAYQBPYHOAD-UHFFFAOYSA-N 1 0 304.177 3.443 10 5 DGBERO COc1ccccc1CC[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000104708910 400315759 /nfs/dbraw/zinc/31/57/59/400315759.db2.gz CEJNWYQYFXOUPX-UHFFFAOYSA-N 1 0 314.385 3.320 10 5 DGBERO O=[N+]([O-])c1ccc(NC[C@H]2CCCC[NH2+]2)cc1C(F)(F)F ZINC000044493134 400494083 /nfs/dbraw/zinc/49/40/83/400494083.db2.gz OURUJWHIBIIAIJ-SNVBAGLBSA-N 1 0 303.284 3.168 10 5 DGBERO [NH3+]C1(CNc2ccc(Br)cc2[N+](=O)[O-])CCCC1 ZINC000594692310 401151232 /nfs/dbraw/zinc/15/12/32/401151232.db2.gz YMXGDJGANCEQLV-UHFFFAOYSA-N 1 0 314.183 3.041 10 5 DGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)c1nccn1C ZINC000594997169 401224244 /nfs/dbraw/zinc/22/42/44/401224244.db2.gz YWDSTQFVNYALSU-SRXBQZRASA-N 1 0 300.362 3.082 10 5 DGBERO Cc1ccnc(C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000363798018 286960197 /nfs/dbraw/zinc/96/01/97/286960197.db2.gz WTDMSFDMBQXDSA-UHFFFAOYSA-N 1 0 312.373 3.073 10 5 DGBERO Cc1cc(CC[NH2+]Cc2csc([N+](=O)[O-])c2)cc(C)c1O ZINC000190394354 432152018 /nfs/dbraw/zinc/15/20/18/432152018.db2.gz MDPCCIMHAMEIJN-UHFFFAOYSA-N 1 0 306.387 3.311 10 5 DGBERO Cc1ccc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000136711539 432161018 /nfs/dbraw/zinc/16/10/18/432161018.db2.gz KPLMDJMIHLNTNI-OAHLLOKOSA-N 1 0 304.390 3.485 10 5 DGBERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000172170446 432201174 /nfs/dbraw/zinc/20/11/74/432201174.db2.gz IVIAYVPJVGRVIU-NEPJUHHUSA-N 1 0 305.378 3.090 10 5 DGBERO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000187851205 533682589 /nfs/dbraw/zinc/68/25/89/533682589.db2.gz NWCWWEJYFSTTQB-DZGCQCFKSA-N 1 0 306.406 3.463 10 5 DGBERO Cc1cc(NCC2(CCO)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302457988 230253493 /nfs/dbraw/zinc/25/34/93/230253493.db2.gz QVVVPECZKBYARG-UHFFFAOYSA-N 1 0 301.346 3.026 10 5 DGBERO C[C@@H]1CC[C@H](C)[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000076150423 431532464 /nfs/dbraw/zinc/53/24/64/431532464.db2.gz DYTABXKOOGZTOM-NEPJUHHUSA-N 1 0 316.361 3.265 10 5 DGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCC(=O)OC(C)(C)C ZINC000055058554 431975639 /nfs/dbraw/zinc/97/56/39/431975639.db2.gz QIHSUZNSXDAQJT-GFCCVEGCSA-N 1 0 308.378 3.319 10 5 DGBERO CCC[N@H+](C)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183375858 432286127 /nfs/dbraw/zinc/28/61/27/432286127.db2.gz RGAZJPSVZWKCOI-OAHLLOKOSA-N 1 0 305.422 3.067 10 5 DGBERO C[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCCC1 ZINC000184665524 432417967 /nfs/dbraw/zinc/41/79/67/432417967.db2.gz VGEJAQUUEGHKDG-NSHDSACASA-N 1 0 316.361 3.313 10 5 DGBERO Cc1c(NC(=O)CC[N@@H+]2CCCC23CCC3)cccc1[N+](=O)[O-] ZINC000373097798 433090922 /nfs/dbraw/zinc/09/09/22/433090922.db2.gz HCPOBNGMHHVYAO-UHFFFAOYSA-N 1 0 317.389 3.250 10 5 DGBERO C[C@H]1C[C@@H](C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCO1 ZINC000569877736 435569880 /nfs/dbraw/zinc/56/98/80/435569880.db2.gz SOMVOSFXQAPNFP-ZFWWWQNUSA-N 1 0 304.390 3.374 10 5 DGBERO COc1ccc(OCC[N@H+](C)C[C@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000544111912 314174082 /nfs/dbraw/zinc/17/40/82/314174082.db2.gz HNMFOONHIHKGMB-AWEZNQCLSA-N 1 0 320.389 3.270 10 5 DGBERO CC1=CCN(CC[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000545865277 314271222 /nfs/dbraw/zinc/27/12/22/314271222.db2.gz QJOKCLUZAGBDJF-INIZCTEOSA-N 1 0 317.433 3.158 10 5 DGBERO CC(C)[NH2+]CCCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000563659762 315130008 /nfs/dbraw/zinc/13/00/08/315130008.db2.gz BALXMBXYIRPFCD-UHFFFAOYSA-N 1 0 316.199 3.157 10 5 DGBERO C[C@H](CCCC[NH3+])Nc1ccc([N+](=O)[O-])cc1Br ZINC000311212191 533852450 /nfs/dbraw/zinc/85/24/50/533852450.db2.gz LLSNVQVPLSFINJ-SECBINFHSA-N 1 0 316.199 3.287 10 5 DGBERO C[C@@H](CNc1ncc(Cl)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000434950189 534096897 /nfs/dbraw/zinc/09/68/97/534096897.db2.gz GZQWPPMEEBPVJU-QWRGUYRKSA-N 1 0 312.801 3.318 10 5 DGBERO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000156992366 527349238 /nfs/dbraw/zinc/34/92/38/527349238.db2.gz HGXFYEWWCMHVSK-ZDUSSCGKSA-N 1 0 303.387 3.431 10 5 DGBERO CCOc1cc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2CC)ccc1[N+](=O)[O-] ZINC000301968558 528314055 /nfs/dbraw/zinc/31/40/55/528314055.db2.gz YQFBLZJOIOLMLI-DZGCQCFKSA-N 1 0 319.405 3.057 10 5 DGBERO [NH3+]CC1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000236199938 655948841 /nfs/dbraw/zinc/94/88/41/655948841.db2.gz QTBBHRUNFKHUGN-UHFFFAOYSA-N 1 0 304.177 3.077 10 5 DGBERO CC(C)C[C@H](C[NH+](C)C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000037166928 661217391 /nfs/dbraw/zinc/21/73/91/661217391.db2.gz GDZFHCUDRDOPCY-CYBMUJFWSA-N 1 0 313.829 3.314 10 5 DGBERO COc1ccccc1CC[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000170920901 659247735 /nfs/dbraw/zinc/24/77/35/659247735.db2.gz CLPWPZBANGWLPI-UHFFFAOYSA-N 1 0 318.348 3.417 10 5 DGBERO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000248025909 662332549 /nfs/dbraw/zinc/33/25/49/662332549.db2.gz PAZSJIOIOWOFJF-BBRMVZONSA-N 1 0 324.808 3.375 10 5 DGBERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000092628259 662333585 /nfs/dbraw/zinc/33/35/85/662333585.db2.gz IIYNFMXRWSRJON-AWEZNQCLSA-N 1 0 311.813 3.164 10 5 DGBERO CC1(C)CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000232807948 1202602008 /nfs/dbraw/zinc/60/20/08/1202602008.db2.gz BHOMWQITIGQPAB-UHFFFAOYSA-N 1 0 304.177 3.090 10 5 DGBERO O=[N+]([O-])c1ccccc1C=CC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000092810713 185342728 /nfs/dbraw/zinc/34/27/28/185342728.db2.gz CKLXULWJFWJYMC-HWKANZROSA-N 1 0 312.373 3.211 10 5 DGBERO CC[C@@H]([NH2+]CC(=O)N(C(C)C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181560820 199317517 /nfs/dbraw/zinc/31/75/17/199317517.db2.gz CUMNNIZJVQVKPU-MRXNPFEDSA-N 1 0 321.421 3.281 10 5 DGBERO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000065208702 432011063 /nfs/dbraw/zinc/01/10/63/432011063.db2.gz QIGSDRDTOCHIRP-NSHDSACASA-N 1 0 318.295 3.248 10 5 DGBERO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@H]1CC=CCC1 ZINC000444681260 530023440 /nfs/dbraw/zinc/02/34/40/530023440.db2.gz TUBPQFZTAMNWJD-LBPRGKRZSA-N 1 0 300.362 3.259 10 5 DGBERO CCCn1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000080347393 192150835 /nfs/dbraw/zinc/15/08/35/192150835.db2.gz UWWNMHDIDLDWPW-UHFFFAOYSA-N 1 0 302.378 3.226 10 5 DGBERO C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000072981248 191264013 /nfs/dbraw/zinc/26/40/13/191264013.db2.gz MZODIGWTAHCBTL-ZBFHGGJFSA-N 1 0 305.422 3.462 10 5 DGBERO C[N@@H+]1CCN(Cc2csc([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000081598285 192298303 /nfs/dbraw/zinc/29/83/03/192298303.db2.gz QQRJUJMVKGKBRG-UHFFFAOYSA-N 1 0 309.435 3.107 10 5 DGBERO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@H]2CCOC2)c2ccccc2)c1 ZINC000490156775 245384074 /nfs/dbraw/zinc/38/40/74/245384074.db2.gz KIBFBDJDVDTQIV-KDOFPFPSSA-N 1 0 312.369 3.310 10 5 DGBERO Cc1cccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000127211799 284330956 /nfs/dbraw/zinc/33/09/56/284330956.db2.gz ZDGIBDKGSHISJN-KRWDZBQOSA-N 1 0 311.385 3.409 10 5 DGBERO O=[N+]([O-])c1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cs1 ZINC000246423655 432128810 /nfs/dbraw/zinc/12/88/10/432128810.db2.gz CGSGRTWAFHLXHU-DZGCQCFKSA-N 1 0 321.446 3.105 10 5 DGBERO CC(C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000016519021 182048591 /nfs/dbraw/zinc/04/85/91/182048591.db2.gz PLOBQCCBCHTILX-ZJUUUORDSA-N 1 0 313.785 3.209 10 5 DGBERO [NH3+][C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000038050881 182982688 /nfs/dbraw/zinc/98/26/88/182982688.db2.gz LNWSOKOQZLXLNQ-MNOVXSKESA-N 1 0 303.284 3.295 10 5 DGBERO CC[N@@H+]1CCC[C@@H]1CN(C)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000175167942 252688240 /nfs/dbraw/zinc/68/82/40/252688240.db2.gz CIZFFFLUOBVBDO-CYBMUJFWSA-N 1 0 314.389 3.064 10 5 DGBERO C[N@+]12CCCC[C@H]1[C@@H](COC(=O)Cc1ccccc1)CCC2 ZINC000253614787 257104621 /nfs/dbraw/zinc/10/46/21/257104621.db2.gz BODPOXCWBVHGKA-WSTZPKSXSA-N 1 0 302.438 3.181 10 5 DGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000470182601 533406918 /nfs/dbraw/zinc/40/69/18/533406918.db2.gz MEKFYCCQDOHABD-YHWWFLPASA-N 1 0 316.401 3.499 10 5 DGBERO CC(C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000069000795 400303945 /nfs/dbraw/zinc/30/39/45/400303945.db2.gz JRSVIRKDNCHYLW-LBPRGKRZSA-N 1 0 300.362 3.038 10 5 DGBERO C[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)(C)C ZINC000074316898 400504141 /nfs/dbraw/zinc/50/41/41/400504141.db2.gz ZQFQGBYPFPFQNC-SNVBAGLBSA-N 1 0 304.350 3.169 10 5 DGBERO CC[C@H]([NH2+]CCC(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000151009305 400668838 /nfs/dbraw/zinc/66/88/38/400668838.db2.gz WQRPOXLGICQLMF-INIZCTEOSA-N 1 0 319.405 3.084 10 5 DGBERO CO[C@@H]1CCC[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000619427447 400846187 /nfs/dbraw/zinc/84/61/87/400846187.db2.gz KTCSRDHBLIIVLB-NVXWUHKLSA-N 1 0 306.406 3.465 10 5 DGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC(C2CCOCC2)C1 ZINC000619726632 400895639 /nfs/dbraw/zinc/89/56/39/400895639.db2.gz WWOPDCPLDIEODL-ZROIWOOFSA-N 1 0 316.401 3.357 10 5 DGBERO Cc1cccc2c(NCCn3cc([N+](=O)[O-])cn3)c(C)c[nH+]c12 ZINC000185356082 165001991 /nfs/dbraw/zinc/00/19/91/165001991.db2.gz MZYDEIUKSAIEHJ-UHFFFAOYSA-N 1 0 311.345 3.068 10 5 DGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193858022 165333022 /nfs/dbraw/zinc/33/30/22/165333022.db2.gz OOMYVOWGDPYMLZ-JSGCOSHPSA-N 1 0 300.362 3.259 10 5 DGBERO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000136816978 432164241 /nfs/dbraw/zinc/16/42/41/432164241.db2.gz PGOAYXXHARDLRY-HWPZZCPQSA-N 1 0 322.311 3.257 10 5 DGBERO C[C@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C[C@H]1[NH+](C)C ZINC000302273482 274591368 /nfs/dbraw/zinc/59/13/68/274591368.db2.gz HUWNKFBACGTPRS-QPUJVOFHSA-N 1 0 318.204 3.288 10 5 DGBERO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC([NH+]2CCCC2)CC1 ZINC000116277485 431499746 /nfs/dbraw/zinc/49/97/46/431499746.db2.gz DXONYBZEFZGNDI-UHFFFAOYSA-N 1 0 323.824 3.308 10 5 DGBERO C[NH+](C)CCCC1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000123484503 431866864 /nfs/dbraw/zinc/86/68/64/431866864.db2.gz GIJFYPCAIWUJIO-UHFFFAOYSA-N 1 0 311.451 3.210 10 5 DGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152503688 432337129 /nfs/dbraw/zinc/33/71/29/432337129.db2.gz UBEBNUSDLHJSBW-GUYCJALGSA-N 1 0 313.357 3.204 10 5 DGBERO CCc1ccc([C@H]2CCCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)o1 ZINC000174874107 432375633 /nfs/dbraw/zinc/37/56/33/432375633.db2.gz BEQXODAWOYAHQL-OAHLLOKOSA-N 1 0 318.377 3.174 10 5 DGBERO O=[N+]([O-])c1cc(CN2CCC([NH+]3CCCC3)CC2)ccc1Cl ZINC000153773423 432441896 /nfs/dbraw/zinc/44/18/96/432441896.db2.gz LFHXECCJBLWKNZ-UHFFFAOYSA-N 1 0 323.824 3.308 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1N1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000154892130 432527612 /nfs/dbraw/zinc/52/76/12/432527612.db2.gz LDDNWKJCNPOQMV-CQSZACIVSA-N 1 0 303.406 3.356 10 5 DGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178508607 432745391 /nfs/dbraw/zinc/74/53/91/432745391.db2.gz SVSOTLWMVGXBDU-OCCSQVGLSA-N 1 0 320.389 3.319 10 5 DGBERO C[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CCCC1 ZINC000189450985 432786206 /nfs/dbraw/zinc/78/62/06/432786206.db2.gz PKYWAYXUPWIJJO-LLVKDONJSA-N 1 0 323.368 3.231 10 5 DGBERO CC(=O)c1ccc(NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000341135804 432972022 /nfs/dbraw/zinc/97/20/22/432972022.db2.gz YUVKCDFITLIAFH-STQMWFEESA-N 1 0 319.405 3.472 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000301485600 433574472 /nfs/dbraw/zinc/57/44/72/433574472.db2.gz WQOJXRKBCSZCJR-ZBFHGGJFSA-N 1 0 303.406 3.355 10 5 DGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000560943249 435196523 /nfs/dbraw/zinc/19/65/23/435196523.db2.gz DWCJIYPNMIMLKX-BLLLJJGKSA-N 1 0 314.389 3.365 10 5 DGBERO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)[nH]n1 ZINC000537962983 435475936 /nfs/dbraw/zinc/47/59/36/435475936.db2.gz TUHWNLGYGVSSED-DGCLKSJQSA-N 1 0 302.378 3.217 10 5 DGBERO C[C@@H]1C[C@H](C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCO1 ZINC000569877735 435569709 /nfs/dbraw/zinc/56/97/09/435569709.db2.gz SOMVOSFXQAPNFP-UKRRQHHQSA-N 1 0 304.390 3.374 10 5 DGBERO C[C@@H](CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000491053595 435699311 /nfs/dbraw/zinc/69/93/11/435699311.db2.gz OITPCFMKZYJOLU-KSSFIOAISA-N 1 0 313.401 3.224 10 5 DGBERO C[C@H](CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000491053594 435699633 /nfs/dbraw/zinc/69/96/33/435699633.db2.gz OITPCFMKZYJOLU-KDOFPFPSSA-N 1 0 313.401 3.224 10 5 DGBERO CC(C)[C@H](CNc1ccc([N+](=O)[O-])nc1)[NH+]1CCCCCC1 ZINC000519756304 435705390 /nfs/dbraw/zinc/70/53/90/435705390.db2.gz VSRMCHDPUSMYQX-HNNXBMFYSA-N 1 0 306.410 3.302 10 5 DGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN1CC=C(C)CC1 ZINC000545868643 314271108 /nfs/dbraw/zinc/27/11/08/314271108.db2.gz WIBDAKFAQSKMCM-OAHLLOKOSA-N 1 0 303.406 3.206 10 5 DGBERO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000157011747 527400989 /nfs/dbraw/zinc/40/09/89/527400989.db2.gz DJDSVZRUNDOSJT-ZDUSSCGKSA-N 1 0 303.387 3.431 10 5 DGBERO COCCC1(C)C[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000459633786 536852579 /nfs/dbraw/zinc/85/25/79/536852579.db2.gz LUTZUBNJRGPORX-ZROIWOOFSA-N 1 0 304.390 3.357 10 5 DGBERO COC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000733331889 574617128 /nfs/dbraw/zinc/61/71/28/574617128.db2.gz LRPFYNMLFHOPKU-INIZCTEOSA-N 1 0 300.358 3.381 10 5 DGBERO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3CC3)CC2)c(Cl)c1 ZINC000131217559 626608051 /nfs/dbraw/zinc/60/80/51/626608051.db2.gz RDCXMJDGVYPNJE-UHFFFAOYSA-N 1 0 309.797 3.217 10 5 DGBERO [NH3+]C[C@@H]1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000236190465 655948602 /nfs/dbraw/zinc/94/86/02/655948602.db2.gz LVYREWTUROHQHP-QMMMGPOBSA-N 1 0 304.177 3.077 10 5 DGBERO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1(O)CCCCC1 ZINC000098144216 657939007 /nfs/dbraw/zinc/93/90/07/657939007.db2.gz DSQIWSLIZZPOSY-UHFFFAOYSA-N 1 0 312.797 3.375 10 5 DGBERO CC[C@@H](C)[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000055066193 1194795350 /nfs/dbraw/zinc/79/53/50/1194795350.db2.gz QOGBFMWJEVODQF-GFCCVEGCSA-N 1 0 311.813 3.164 10 5 DGBERO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000470942585 244195170 /nfs/dbraw/zinc/19/51/70/244195170.db2.gz CRYJEJYHQFVUMX-GXFFZTMASA-N 1 0 318.295 3.246 10 5 DGBERO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000470954856 244198262 /nfs/dbraw/zinc/19/82/62/244198262.db2.gz CWOJUDGWRLVUBD-QWRGUYRKSA-N 1 0 318.295 3.246 10 5 DGBERO C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C)O1 ZINC000127064282 284326006 /nfs/dbraw/zinc/32/60/06/284326006.db2.gz LBJPYUZQMIQSNG-STQMWFEESA-N 1 0 316.357 3.464 10 5 DGBERO CC(C)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000016518488 182048140 /nfs/dbraw/zinc/04/81/40/182048140.db2.gz FEONYYWTCYKNIM-UWVGGRQHSA-N 1 0 313.785 3.209 10 5 DGBERO O=[N+]([O-])c1c(NCc2ccccc2)ncnc1Nc1cc[nH+]cc1 ZINC000040586301 183105994 /nfs/dbraw/zinc/10/59/94/183105994.db2.gz YIHXDRBDZRXIIX-UHFFFAOYSA-N 1 0 322.328 3.136 10 5 DGBERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000338197630 253241097 /nfs/dbraw/zinc/24/10/97/253241097.db2.gz PMCGHSUXSBMFOF-XYOKQWHBSA-N 1 0 320.780 3.138 10 5 DGBERO O=[N+]([O-])c1cc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)cs1 ZINC000157496120 197192328 /nfs/dbraw/zinc/19/23/28/197192328.db2.gz VGZAOCHQHZQDQR-CQSZACIVSA-N 1 0 309.435 3.107 10 5 DGBERO Cc1cc(N[C@H](C)C[C@H](C)[NH3+])c(Br)cc1[N+](=O)[O-] ZINC000320228755 400164193 /nfs/dbraw/zinc/16/41/93/400164193.db2.gz HFAOINOUHCXNID-DTWKUNHWSA-N 1 0 316.199 3.203 10 5 DGBERO CCOc1ccc([C@H](C)[NH2+]CCOCC2CCC2)cc1[N+](=O)[O-] ZINC000613242566 400680837 /nfs/dbraw/zinc/68/08/37/400680837.db2.gz DDMTVEMGDHKTFN-ZDUSSCGKSA-N 1 0 322.405 3.461 10 5 DGBERO CO[C@@H]1CCC[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000619428487 400845918 /nfs/dbraw/zinc/84/59/18/400845918.db2.gz FABZIPNUXXPBQC-UONOGXRCSA-N 1 0 312.797 3.338 10 5 DGBERO CO[C@H]1CCC[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000619428485 400846328 /nfs/dbraw/zinc/84/63/28/400846328.db2.gz FABZIPNUXXPBQC-KBPBESRZSA-N 1 0 312.797 3.338 10 5 DGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC(C2CCOCC2)C1 ZINC000619726631 400895630 /nfs/dbraw/zinc/89/56/30/400895630.db2.gz WWOPDCPLDIEODL-NTEUORMPSA-N 1 0 316.401 3.357 10 5 DGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCO[C@H]1CC1(F)F ZINC000594972074 401214278 /nfs/dbraw/zinc/21/42/78/401214278.db2.gz XTVIVAHSKVSRKZ-JOHMGYAOSA-N 1 0 312.316 3.012 10 5 DGBERO CC[C@H]([NH2+][C@H](C)C(=O)NCCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090068552 401253113 /nfs/dbraw/zinc/25/31/13/401253113.db2.gz WKZXGDNSDUPOOW-CJNGLKHVSA-N 1 0 321.421 3.186 10 5 DGBERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000172169398 432200083 /nfs/dbraw/zinc/20/00/83/432200083.db2.gz WRTYCKDIIKGEDM-NEPJUHHUSA-N 1 0 305.378 3.090 10 5 DGBERO C[C@@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C[C@@H]1[NH+](C)C ZINC000302273480 274360721 /nfs/dbraw/zinc/36/07/21/274360721.db2.gz HUWNKFBACGTPRS-PELKAZGASA-N 1 0 318.204 3.288 10 5 DGBERO [NH3+][C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000038050880 274956070 /nfs/dbraw/zinc/95/60/70/274956070.db2.gz LNWSOKOQZLXLNQ-GHMZBOCLSA-N 1 0 303.284 3.295 10 5 DGBERO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245455621 278310640 /nfs/dbraw/zinc/31/06/40/278310640.db2.gz SPVGFGAPGALVRZ-CVEARBPZSA-N 1 0 317.433 3.464 10 5 DGBERO CC1(C)CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000262479397 278342896 /nfs/dbraw/zinc/34/28/96/278342896.db2.gz JWDWONMWDKMQSV-GFCCVEGCSA-N 1 0 317.311 3.177 10 5 DGBERO C[C@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000261858117 278343808 /nfs/dbraw/zinc/34/38/08/278343808.db2.gz FLFJENPXSOOJKZ-TVQRCGJNSA-N 1 0 317.311 3.177 10 5 DGBERO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116294888 431499546 /nfs/dbraw/zinc/49/95/46/431499546.db2.gz ZMXXBASOFJQVMJ-CYBMUJFWSA-N 1 0 302.330 3.404 10 5 DGBERO O=[N+]([O-])c1ccc(F)cc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000047968232 431917944 /nfs/dbraw/zinc/91/79/44/431917944.db2.gz XKQQXVGMUNOSNT-UHFFFAOYSA-N 1 0 321.396 3.042 10 5 DGBERO CC[C@@H]([NH2+]CCc1c(C)nn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000124219233 431886290 /nfs/dbraw/zinc/88/62/90/431886290.db2.gz IQZKSVPBOIHXEX-QGZVFWFLSA-N 1 0 316.405 3.229 10 5 DGBERO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000124433384 431893451 /nfs/dbraw/zinc/89/34/51/431893451.db2.gz ORYZNLXWFZXAQL-AWEZNQCLSA-N 1 0 321.421 3.144 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000183349539 432285119 /nfs/dbraw/zinc/28/51/19/432285119.db2.gz LQDRJNVLDFBBAI-MRXNPFEDSA-N 1 0 300.362 3.354 10 5 DGBERO CC[N@H+](CCc1nccs1)Cc1ccc([N+](=O)[O-])cc1C ZINC000183378883 432287903 /nfs/dbraw/zinc/28/79/03/432287903.db2.gz LQJJSHXWYDNCJP-UHFFFAOYSA-N 1 0 305.403 3.424 10 5 DGBERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000183385517 432288097 /nfs/dbraw/zinc/28/80/97/432288097.db2.gz HRDIFMTZSLTKFP-KRWDZBQOSA-N 1 0 314.389 3.073 10 5 DGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000249379342 432345966 /nfs/dbraw/zinc/34/59/66/432345966.db2.gz OOMYVOWGDPYMLZ-TZMCWYRMSA-N 1 0 300.362 3.259 10 5 DGBERO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000192798553 432416406 /nfs/dbraw/zinc/41/64/06/432416406.db2.gz NIMLWOIQCWZKRI-NSHDSACASA-N 1 0 319.386 3.336 10 5 DGBERO Cc1c([C@@H](C)[NH2+]CCN2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000156621451 432602170 /nfs/dbraw/zinc/60/21/70/432602170.db2.gz NYUMCVGJQVBYQU-DZGCQCFKSA-N 1 0 305.422 3.428 10 5 DGBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CC1(CCO)CC1 ZINC000188061701 432701849 /nfs/dbraw/zinc/70/18/49/432701849.db2.gz QMAYDZDNULNAPV-HOCLYGCPSA-N 1 0 318.417 3.058 10 5 DGBERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000229604507 432720615 /nfs/dbraw/zinc/72/06/15/432720615.db2.gz SYPDRIDZBXKJBE-KWQFWETISA-N 1 0 303.284 3.166 10 5 DGBERO CC[C@@H]([NH2+][C@H](C)C(=O)NC(C)(C)CC)c1cccc([N+](=O)[O-])c1 ZINC000178670705 432765114 /nfs/dbraw/zinc/76/51/14/432765114.db2.gz YBCNHMMIGZGTAL-IUODEOHRSA-N 1 0 321.421 3.329 10 5 DGBERO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000245552751 432843634 /nfs/dbraw/zinc/84/36/34/432843634.db2.gz PXLUAKRVXJFGQY-KMCQBPLKSA-N 1 0 318.417 3.463 10 5 DGBERO CC(=O)c1cc(NCC[NH+]2[C@H](C)CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000342217875 433544088 /nfs/dbraw/zinc/54/40/88/433544088.db2.gz FVGGXAKYBBIDCH-CHWSQXEVSA-N 1 0 319.405 3.472 10 5 DGBERO Cc1cnc(N[C@@H](C)C[N@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000309910023 434101153 /nfs/dbraw/zinc/10/11/53/434101153.db2.gz ROFFNCHYQPBHNC-AWEZNQCLSA-N 1 0 314.389 3.231 10 5 DGBERO C[C@H](Nc1ccc([N+](=O)[O-])nc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450435235 434178401 /nfs/dbraw/zinc/17/84/01/434178401.db2.gz OUTBXPXGOYYIED-QWHCGFSZSA-N 1 0 304.394 3.055 10 5 DGBERO CC(=O)c1cc(NCC[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000286303281 434226538 /nfs/dbraw/zinc/22/65/38/434226538.db2.gz YNHAMJKJUYHOFN-GFCCVEGCSA-N 1 0 305.378 3.084 10 5 DGBERO CC[C@@H]([NH2+]Cc1cccnc1N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000154770735 522887953 /nfs/dbraw/zinc/88/79/53/522887953.db2.gz BZWFMFZRWZSQAY-MRXNPFEDSA-N 1 0 314.389 3.297 10 5 DGBERO CCOc1cc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CC)ccc1[N+](=O)[O-] ZINC000301968561 528313720 /nfs/dbraw/zinc/31/37/20/528313720.db2.gz YQFBLZJOIOLMLI-ZFWWWQNUSA-N 1 0 319.405 3.057 10 5 DGBERO [NH3+]CC[C@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000723710409 655717952 /nfs/dbraw/zinc/71/79/52/655717952.db2.gz UJOFZMOQZOWTHK-QMMMGPOBSA-N 1 0 304.177 3.077 10 5 DGBERO C[NH2+]C[C@H]1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000234389379 655731739 /nfs/dbraw/zinc/73/17/39/655731739.db2.gz IXRVWOMYMXOHNH-SECBINFHSA-N 1 0 318.204 3.337 10 5 DGBERO O=[N+]([O-])c1cc(Cl)c(N2CC[C@@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC000312323712 656128633 /nfs/dbraw/zinc/12/86/33/656128633.db2.gz CHPGLRJXGGMPOW-CYBMUJFWSA-N 1 0 316.188 3.091 10 5 DGBERO CC(C)(C)C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178862772 657090330 /nfs/dbraw/zinc/09/03/30/657090330.db2.gz ILCXCUZTXSDKBB-MRXNPFEDSA-N 1 0 306.406 3.386 10 5 DGBERO O=[N+]([O-])c1cccc(N2CC[NH+]([C@H]3C[C@H]3c3ccccc3)CC2)c1 ZINC000225573069 659076967 /nfs/dbraw/zinc/07/69/67/659076967.db2.gz VBYGNBSOVHSAAW-OALUTQOASA-N 1 0 323.396 3.273 10 5 DGBERO Cc1cc(C)cc([C@H](O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000174724945 659541181 /nfs/dbraw/zinc/54/11/81/659541181.db2.gz LUFVAGYZVLTLJZ-GOSISDBHSA-N 1 0 314.385 3.377 10 5 DGBERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000092628270 662333511 /nfs/dbraw/zinc/33/35/11/662333511.db2.gz HPQHCLXSXOAXGT-CYBMUJFWSA-N 1 0 311.813 3.164 10 5 DGBERO CC(C)[C@](CC[N+](C)(C)C)(C(N)=O)c1cccc2ccccc21 ZINC000003635646 717097295 /nfs/dbraw/zinc/09/72/95/717097295.db2.gz MBXXSZBPQQQJSX-FQEVSTJZSA-O 1 0 313.465 3.315 10 5 DGBERO CCOC(=O)c1ccc2c(c1)N=C(C)[N@@+]2(CC)C[C@H]1CCCO1 ZINC000249698824 717164739 /nfs/dbraw/zinc/16/47/39/717164739.db2.gz DJVUHFZYUPQOCP-FOIQADDNSA-N 1 0 317.409 3.433 10 5 DGBERO CCOC(=O)c1ccc2c(c1)N=C(C)[N@+]2(CC)C[C@@H]1CCCO1 ZINC000249698827 717164828 /nfs/dbraw/zinc/16/48/28/717164828.db2.gz DJVUHFZYUPQOCP-YWZLYKJASA-N 1 0 317.409 3.433 10 5 DGBERO C[C@@H]1[C@H](Nc2ccncc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000309883243 231107325 /nfs/dbraw/zinc/10/73/25/231107325.db2.gz KGDBLVORHUVZRX-UKRRQHHQSA-N 1 0 312.373 3.065 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)C1CCCC1 ZINC000184631220 199744148 /nfs/dbraw/zinc/74/41/48/199744148.db2.gz AVGCIHQHTKNMSG-LBPRGKRZSA-N 1 0 305.378 3.010 10 5 DGBERO CN(C)[C@@H](C[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccco1 ZINC000237162056 202172280 /nfs/dbraw/zinc/17/22/80/202172280.db2.gz SBXNLXXTACOBNQ-AWEZNQCLSA-N 1 0 323.780 3.234 10 5 DGBERO CCC[C@@H]([NH2+]CC1(C)OCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000190674073 283560333 /nfs/dbraw/zinc/56/03/33/283560333.db2.gz OGBNSOIHYFSKMO-OAHLLOKOSA-N 1 0 308.378 3.179 10 5 DGBERO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H]2c2ccco2)c1 ZINC000246217372 432109457 /nfs/dbraw/zinc/10/94/57/432109457.db2.gz CZRUQDLOMYHWFR-GJZGRUSLSA-N 1 0 302.330 3.058 10 5 DGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000246278911 432115712 /nfs/dbraw/zinc/11/57/12/432115712.db2.gz UBEBNUSDLHJSBW-CXAGYDPISA-N 1 0 313.357 3.204 10 5 DGBERO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000470942588 244197150 /nfs/dbraw/zinc/19/71/50/244197150.db2.gz CRYJEJYHQFVUMX-ZWNOBZJWSA-N 1 0 318.295 3.246 10 5 DGBERO COc1cc(N2CCCC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000266424241 205336689 /nfs/dbraw/zinc/33/66/89/205336689.db2.gz SLGKZOOTTNWOAF-OAHLLOKOSA-N 1 0 319.405 3.058 10 5 DGBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1Br)[C@@H](C)[NH3+] ZINC000038004293 182959541 /nfs/dbraw/zinc/95/95/41/182959541.db2.gz CEMKFCYZMIJAGK-RKDXNWHRSA-N 1 0 301.184 3.273 10 5 DGBERO [NH3+][C@H]1CCCC[C@@H]1Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000038050986 182982846 /nfs/dbraw/zinc/98/28/46/182982846.db2.gz JFKWSHZNKRNNGP-UWVGGRQHSA-N 1 0 314.183 3.039 10 5 DGBERO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000056494636 184013884 /nfs/dbraw/zinc/01/38/84/184013884.db2.gz XOOWINUPVVITSH-DLBZAZTESA-N 1 0 320.389 3.007 10 5 DGBERO CCN1CCC[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000249041482 285048711 /nfs/dbraw/zinc/04/87/11/285048711.db2.gz UUGOKBMTJSYXIL-PBHICJAKSA-N 1 0 303.406 3.046 10 5 DGBERO O=[N+]([O-])c1ccccc1CN1CCO[C@H](c2cccs2)C1 ZINC000157944678 197229111 /nfs/dbraw/zinc/22/91/11/197229111.db2.gz UOZLMUBESWOICP-AWEZNQCLSA-N 1 0 304.371 3.230 10 5 DGBERO Cc1cnc(CC[N@@H+](C)Cc2cccc([N+](=O)[O-])c2C)s1 ZINC000157512137 197192775 /nfs/dbraw/zinc/19/27/75/197192775.db2.gz IWWPXFXIOWOSNH-UHFFFAOYSA-N 1 0 305.403 3.343 10 5 DGBERO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000184642861 533372319 /nfs/dbraw/zinc/37/23/19/533372319.db2.gz MYNGRFONBJISRQ-GFCCVEGCSA-N 1 0 305.378 3.092 10 5 DGBERO C[NH+](C)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000035246536 400387793 /nfs/dbraw/zinc/38/77/93/400387793.db2.gz UOPFBJWYSPVIOU-UHFFFAOYSA-N 1 0 317.311 3.144 10 5 DGBERO CC(C)(C)Oc1cc(N2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000611203257 400358375 /nfs/dbraw/zinc/35/83/75/400358375.db2.gz KHVGXVIJSDTJRR-CQSZACIVSA-N 1 0 319.405 3.057 10 5 DGBERO CO[C@@H]1CCC[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000619427446 400846129 /nfs/dbraw/zinc/84/61/29/400846129.db2.gz KTCSRDHBLIIVLB-DOTOQJQBSA-N 1 0 306.406 3.465 10 5 DGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC1(CO)CCC1 ZINC000593693709 400893652 /nfs/dbraw/zinc/89/36/52/400893652.db2.gz ROORUSIKSZDOQC-GXDHUFHOSA-N 1 0 304.390 3.140 10 5 DGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC1(CO)CCC1 ZINC000593693850 400893877 /nfs/dbraw/zinc/89/38/77/400893877.db2.gz ROORUSIKSZDOQC-UVTDQMKNSA-N 1 0 304.390 3.140 10 5 DGBERO O=[N+]([O-])c1ccccc1C=CC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000255896752 401107040 /nfs/dbraw/zinc/10/70/40/401107040.db2.gz CKLXULWJFWJYMC-HYXAFXHYSA-N 1 0 312.373 3.211 10 5 DGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000600208276 401222434 /nfs/dbraw/zinc/22/24/34/401222434.db2.gz PNOJNJYPFKQZMT-ZAWBGVFASA-N 1 0 316.401 3.093 10 5 DGBERO CC[NH+](CC)[C@@H](C)CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000178339221 164834775 /nfs/dbraw/zinc/83/47/75/164834775.db2.gz IJPUKPUFRUNPPL-JTQLQIEISA-N 1 0 317.336 3.338 10 5 DGBERO Cc1cccc(NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000137354770 432175216 /nfs/dbraw/zinc/17/52/16/432175216.db2.gz PTBSCCLBNVSHFH-CYBMUJFWSA-N 1 0 313.357 3.193 10 5 DGBERO Cc1c([C@H](C)[NH2+]CCN2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000247063955 432198917 /nfs/dbraw/zinc/19/89/17/432198917.db2.gz NYUMCVGJQVBYQU-HIFRSBDPSA-N 1 0 305.422 3.428 10 5 DGBERO COc1ccc(OCC[NH2+][C@@H](C)c2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000182570206 432205482 /nfs/dbraw/zinc/20/54/82/432205482.db2.gz JWYYYKMBRMRZNU-LBPRGKRZSA-N 1 0 320.345 3.234 10 5 DGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCOCC2(CC2)C1 ZINC000347370625 264209278 /nfs/dbraw/zinc/20/92/78/264209278.db2.gz BEBMARKGHNCQKF-ZROIWOOFSA-N 1 0 302.374 3.111 10 5 DGBERO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)cc1 ZINC000245916383 275035325 /nfs/dbraw/zinc/03/53/25/275035325.db2.gz RXPPQZKSTOLVQV-HOTGVXAUSA-N 1 0 322.430 3.081 10 5 DGBERO CC[NH+](CC)C[C@@H]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000076003536 279125253 /nfs/dbraw/zinc/12/52/53/279125253.db2.gz VOUJNAVICRUVEO-GJZGRUSLSA-N 1 0 305.422 3.320 10 5 DGBERO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000114202542 431379137 /nfs/dbraw/zinc/37/91/37/431379137.db2.gz XTRWUKYKAZUBFF-INIZCTEOSA-N 1 0 300.362 3.088 10 5 DGBERO C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000119407202 431688429 /nfs/dbraw/zinc/68/84/29/431688429.db2.gz ULSGUXUBCTXWJM-LLVKDONJSA-N 1 0 306.387 3.425 10 5 DGBERO O=[N+]([O-])c1ccc2sc(OCCCC3CC[NH2+]CC3)nc2c1 ZINC000095092088 431922183 /nfs/dbraw/zinc/92/21/83/431922183.db2.gz DKSSBJWLFSQMCW-UHFFFAOYSA-N 1 0 321.402 3.363 10 5 DGBERO CC(C)C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000090538396 431892569 /nfs/dbraw/zinc/89/25/69/431892569.db2.gz DLURATSKSCLXHC-CYBMUJFWSA-N 1 0 308.407 3.230 10 5 DGBERO CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183375833 432286585 /nfs/dbraw/zinc/28/65/85/432286585.db2.gz RGAZJPSVZWKCOI-HNNXBMFYSA-N 1 0 305.422 3.067 10 5 DGBERO Cc1c(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cccc1[N+](=O)[O-] ZINC000173932045 432308627 /nfs/dbraw/zinc/30/86/27/432308627.db2.gz IWFMQRNFTBWJPX-SJORKVTESA-N 1 0 317.433 3.350 10 5 DGBERO Cc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000192806398 432416777 /nfs/dbraw/zinc/41/67/77/432416777.db2.gz HQWHUBKHCQDMCM-LBPRGKRZSA-N 1 0 317.345 3.176 10 5 DGBERO C[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCC1 ZINC000184650952 432416810 /nfs/dbraw/zinc/41/68/10/432416810.db2.gz NHGCKEGYHKBWCR-LLVKDONJSA-N 1 0 316.361 3.313 10 5 DGBERO Cc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000192806471 432417515 /nfs/dbraw/zinc/41/75/15/432417515.db2.gz XXOCDXALICKFGV-LBPRGKRZSA-N 1 0 317.345 3.176 10 5 DGBERO Cc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000192806392 432417592 /nfs/dbraw/zinc/41/75/92/432417592.db2.gz HQWHUBKHCQDMCM-GFCCVEGCSA-N 1 0 317.345 3.176 10 5 DGBERO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000154318830 432491168 /nfs/dbraw/zinc/49/11/68/432491168.db2.gz CZRUQDLOMYHWFR-HUUCEWRRSA-N 1 0 302.330 3.058 10 5 DGBERO CC[N@@H+]1CCC[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000194380656 432545970 /nfs/dbraw/zinc/54/59/70/432545970.db2.gz USLJODVOBBXYOU-GFCCVEGCSA-N 1 0 300.362 3.039 10 5 DGBERO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000188031802 432700925 /nfs/dbraw/zinc/70/09/25/432700925.db2.gz NURSXPGDEXKWLL-IAQYHMDHSA-N 1 0 312.797 3.231 10 5 DGBERO CC1(C)CC[C@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)O1 ZINC000187865895 432689941 /nfs/dbraw/zinc/68/99/41/432689941.db2.gz ZAJHULMAHLMJFC-CVEARBPZSA-N 1 0 318.417 3.463 10 5 DGBERO CC[C@@H]([NH2+][C@H]1CCCN(C(C)C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000178674711 432764997 /nfs/dbraw/zinc/76/49/97/432764997.db2.gz MJOKVWQTGLQPRJ-CVEARBPZSA-N 1 0 319.405 3.035 10 5 DGBERO COc1cnccc1[C@@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000189569885 432801113 /nfs/dbraw/zinc/80/11/13/432801113.db2.gz YKLXSMKLDPILFJ-VUDGCMKMSA-N 1 0 313.357 3.362 10 5 DGBERO COc1cc(NCC[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000301616853 433641062 /nfs/dbraw/zinc/64/10/62/433641062.db2.gz KAWAUBYGAPSGID-LLVKDONJSA-N 1 0 311.357 3.029 10 5 DGBERO COc1cc(NC[C@H]2CCC[N@@H+]2CC(C)C)ccc1[N+](=O)[O-] ZINC000301780886 433718988 /nfs/dbraw/zinc/71/89/88/433718988.db2.gz RUGPCJGHPYNYHV-CQSZACIVSA-N 1 0 307.394 3.136 10 5 DGBERO O=[N+]([O-])c1ccn(C2CC[NH+](CC34CCC(CC3)C4)CC2)n1 ZINC000408459141 434579847 /nfs/dbraw/zinc/57/98/47/434579847.db2.gz XCWSWBBMPRGKOP-UHFFFAOYSA-N 1 0 304.394 3.009 10 5 DGBERO C[C@H](C[C@H](C)O)[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000541226266 314000819 /nfs/dbraw/zinc/00/08/19/314000819.db2.gz XKMWCXBZQURHDZ-GLJUWKHASA-N 1 0 314.385 3.433 10 5 DGBERO C[C@@H]1C[C@H](C)CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000178959865 533782012 /nfs/dbraw/zinc/78/20/12/533782012.db2.gz GROMNASWMZYMFM-CHWSQXEVSA-N 1 0 320.389 3.329 10 5 DGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)C1CCCC1 ZINC000184647966 534340037 /nfs/dbraw/zinc/34/00/37/534340037.db2.gz KCCLEUYCWHGBSH-GFCCVEGCSA-N 1 0 305.378 3.010 10 5 DGBERO CC[N@H+](C)[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000302790466 546438497 /nfs/dbraw/zinc/43/84/97/546438497.db2.gz YFABBPQDGRMKHY-NSHDSACASA-N 1 0 317.311 3.144 10 5 DGBERO O=[N+]([O-])c1ccc(NC2CC[NH+](CC3CCCCC3)CC2)cn1 ZINC000735487357 574703644 /nfs/dbraw/zinc/70/36/44/574703644.db2.gz VGHPIPMWFRNORL-UHFFFAOYSA-N 1 0 318.421 3.446 10 5 DGBERO C[C@H]1[NH2+]CCC[C@H]1Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000229604534 659271477 /nfs/dbraw/zinc/27/14/77/659271477.db2.gz SYPDRIDZBXKJBE-LDYMZIIASA-N 1 0 303.284 3.166 10 5 DGBERO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(C(C)(C)C)cc1 ZINC000182607818 660066978 /nfs/dbraw/zinc/06/69/78/660066978.db2.gz MIAVKAGJAWNVJC-CYBMUJFWSA-N 1 0 316.405 3.440 10 5 DGBERO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@]3(CC=CCC3)C2)c1 ZINC000246318696 662253993 /nfs/dbraw/zinc/25/39/93/662253993.db2.gz RKMPFMWFJYPLNS-ZWKOTPCHSA-N 1 0 316.401 3.451 10 5 DGBERO C[C@H]1[C@@H](Nc2ccncc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000309883244 231108498 /nfs/dbraw/zinc/10/84/98/231108498.db2.gz KGDBLVORHUVZRX-ZFWWWQNUSA-N 1 0 312.373 3.065 10 5 DGBERO Cc1ccc([C@H](C)[NH2+][C@H]2CN(C(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000090217384 185287016 /nfs/dbraw/zinc/28/70/16/185287016.db2.gz PFJDEBPVEFPYHZ-DZKIICNBSA-N 1 0 305.422 3.283 10 5 DGBERO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)C2CCCC2)cccc1[N+](=O)[O-] ZINC000172169697 198051436 /nfs/dbraw/zinc/05/14/36/198051436.db2.gz OBFOUXORBYEJJQ-OLZOCXBDSA-N 1 0 319.405 3.399 10 5 DGBERO CC[N@@H+]1CC[C@H](N(C)Cc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000174771543 198382790 /nfs/dbraw/zinc/38/27/90/198382790.db2.gz IIJPSWOQHYXWQY-CJNGLKHVSA-N 1 0 305.422 3.065 10 5 DGBERO C[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000246313509 432118381 /nfs/dbraw/zinc/11/83/81/432118381.db2.gz QZQVFPQAYQJCAT-FSPWUOQZSA-N 1 0 312.369 3.321 10 5 DGBERO CC[N@H+](CCc1nccs1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000093764506 193302034 /nfs/dbraw/zinc/30/20/34/193302034.db2.gz OXEBMENOXFAQTB-UHFFFAOYSA-N 1 0 305.403 3.424 10 5 DGBERO C[C@]1(c2ccccc2)CN(Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000121403650 284196346 /nfs/dbraw/zinc/19/63/46/284196346.db2.gz UJIWUCDABSHHSA-MRXNPFEDSA-N 1 0 318.398 3.404 10 5 DGBERO C[C@@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])c3cnccc32)CC[N@@H+]1C ZINC000266239352 205208057 /nfs/dbraw/zinc/20/80/57/205208057.db2.gz KYHZLIAIZDVQSD-CHWSQXEVSA-N 1 0 314.389 3.062 10 5 DGBERO Cc1ccc([N+](=O)[O-])cc1[C@H]([NH3+])c1cncc(Br)c1 ZINC000040177385 183044396 /nfs/dbraw/zinc/04/43/96/183044396.db2.gz GMESYKIKSYSPNX-CYBMUJFWSA-N 1 0 322.162 3.109 10 5 DGBERO C[N@+]12CCCC[C@@H]1[C@@H](COC(=O)Cc1ccccc1)CCC2 ZINC000253614786 257104418 /nfs/dbraw/zinc/10/44/18/257104418.db2.gz BODPOXCWBVHGKA-QWFCFKBJSA-N 1 0 302.438 3.181 10 5 DGBERO Cc1ncc([N+](=O)[O-])n1CC[N@H+](Cc1ccccc1)C(C)C ZINC000610664855 400286987 /nfs/dbraw/zinc/28/69/87/400286987.db2.gz CKUVALYJIGBOPC-UHFFFAOYSA-N 1 0 302.378 3.010 10 5 DGBERO CCC[NH+](CCC)CCCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000076225034 400644825 /nfs/dbraw/zinc/64/48/25/400644825.db2.gz BBBMODBNHUSVBG-UHFFFAOYSA-N 1 0 321.421 3.145 10 5 DGBERO O=[N+]([O-])c1cnccc1N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000060375303 401113162 /nfs/dbraw/zinc/11/31/62/401113162.db2.gz VTMQGVFXBWQXID-OAHLLOKOSA-N 1 0 312.373 3.066 10 5 DGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCN1C(C)(C)C ZINC000594969557 401214448 /nfs/dbraw/zinc/21/44/48/401214448.db2.gz WWBOMVNYBDACHC-QXSWTLKVSA-N 1 0 317.433 3.461 10 5 DGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCOC1(C)C ZINC000594993474 401222100 /nfs/dbraw/zinc/22/21/00/401222100.db2.gz ABSQVPZSKLESCR-UZGISAJGSA-N 1 0 304.390 3.403 10 5 DGBERO C[C@@H](CSc1ccc(Br)cc1[N+](=O)[O-])[NH+](C)C ZINC000358850055 286169124 /nfs/dbraw/zinc/16/91/24/286169124.db2.gz FYKJYNLACSJNEI-QMMMGPOBSA-N 1 0 319.224 3.400 10 5 DGBERO Cc1cc(NC[C@@H]2CCC[N@H+]2C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359913035 286386970 /nfs/dbraw/zinc/38/69/70/286386970.db2.gz PTRFFXTXWMUKSS-JTQLQIEISA-N 1 0 317.311 3.428 10 5 DGBERO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2Cc3ccccc3C3(CC3)C2)c1 ZINC000186222270 165033676 /nfs/dbraw/zinc/03/36/76/165033676.db2.gz HAKUQSDEMYKBHR-GOSISDBHSA-N 1 0 324.380 3.176 10 5 DGBERO C[C@H]([NH2+][C@@H](C)C1CCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000172170440 432201538 /nfs/dbraw/zinc/20/15/38/432201538.db2.gz IVIAYVPJVGRVIU-RYUDHWBXSA-N 1 0 305.378 3.090 10 5 DGBERO C[C@H]([NH2+][C@@H](C)C1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000172171003 432201730 /nfs/dbraw/zinc/20/17/30/432201730.db2.gz WRAPGLYGJQSBON-RYUDHWBXSA-N 1 0 305.378 3.090 10 5 DGBERO Cc1ccc([C@@H](C)NCc2nc3cc([N+](=O)[O-])ccc3o2)o1 ZINC000182570783 432205963 /nfs/dbraw/zinc/20/59/63/432205963.db2.gz QCUJIOKWSVAERQ-SNVBAGLBSA-N 1 0 301.302 3.488 10 5 DGBERO Cn1cc([C@H]2CCC[N@@H+]2C/C=C/c2ccccc2[N+](=O)[O-])cn1 ZINC000131832869 196203176 /nfs/dbraw/zinc/20/31/76/196203176.db2.gz DNOXMRDQTXQDOC-IEXSPKMKSA-N 1 0 312.373 3.179 10 5 DGBERO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C1(CCO)CCCCC1 ZINC000474284723 275033327 /nfs/dbraw/zinc/03/33/27/275033327.db2.gz LHBQNOGLZLBQPA-UHFFFAOYSA-N 1 0 312.797 3.423 10 5 DGBERO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCCC2)CC1 ZINC000045768174 431889408 /nfs/dbraw/zinc/88/94/08/431889408.db2.gz SMEAXFFXIQHCTN-CQSZACIVSA-N 1 0 303.406 3.216 10 5 DGBERO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000124433177 431893555 /nfs/dbraw/zinc/89/35/55/431893555.db2.gz ORYZNLXWFZXAQL-CQSZACIVSA-N 1 0 321.421 3.144 10 5 DGBERO C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccc(F)c1 ZINC000175152825 432404105 /nfs/dbraw/zinc/40/41/05/432404105.db2.gz XYOTUOBRPSZROO-LRDDRELGSA-N 1 0 318.352 3.014 10 5 DGBERO CCN1CCC[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000192717195 432404670 /nfs/dbraw/zinc/40/46/70/432404670.db2.gz UUGOKBMTJSYXIL-RHSMWYFYSA-N 1 0 303.406 3.046 10 5 DGBERO C[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000261858111 432456148 /nfs/dbraw/zinc/45/61/48/432456148.db2.gz FLFJENPXSOOJKZ-NOZJJQNGSA-N 1 0 317.311 3.177 10 5 DGBERO Cc1cc(NCc2ccc3c(c2)C[NH2+]C3)c(F)cc1[N+](=O)[O-] ZINC000262462976 432487644 /nfs/dbraw/zinc/48/76/44/432487644.db2.gz IRVZGJCWTQLXAE-UHFFFAOYSA-N 1 0 301.321 3.258 10 5 DGBERO CC[N@@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000194381033 432546415 /nfs/dbraw/zinc/54/64/15/432546415.db2.gz KKIPFBOJVHBLKP-LBPRGKRZSA-N 1 0 300.362 3.039 10 5 DGBERO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CC1(CCO)CC1 ZINC000188061769 432702214 /nfs/dbraw/zinc/70/22/14/432702214.db2.gz QMAYDZDNULNAPV-GDBMZVCRSA-N 1 0 318.417 3.058 10 5 DGBERO C[N@H+](CCOc1ccc(F)cc1)CCc1cccc([N+](=O)[O-])c1 ZINC000554846162 434948710 /nfs/dbraw/zinc/94/87/10/434948710.db2.gz LQTXEIYDUXOZRM-UHFFFAOYSA-N 1 0 318.348 3.287 10 5 DGBERO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CCOCC1 ZINC000535804313 435353559 /nfs/dbraw/zinc/35/35/59/435353559.db2.gz MODFNIGSOPBDDZ-UHFFFAOYSA-N 1 0 316.357 3.466 10 5 DGBERO CC(=O)c1ccc(NC2CC([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000480848980 435397910 /nfs/dbraw/zinc/39/79/10/435397910.db2.gz YGYHIAAITKPIDX-UHFFFAOYSA-N 1 0 317.389 3.226 10 5 DGBERO C[C@H](C[C@H](C)O)[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000541226267 314001095 /nfs/dbraw/zinc/00/10/95/314001095.db2.gz XKMWCXBZQURHDZ-QWQRMKEZSA-N 1 0 314.385 3.433 10 5 DGBERO O=[N+]([O-])c1ccc(C[NH2+]C2(CCO)CCCCC2)c(Cl)c1 ZINC000543855826 314162004 /nfs/dbraw/zinc/16/20/04/314162004.db2.gz SETADDBECWSLSQ-UHFFFAOYSA-N 1 0 312.797 3.423 10 5 DGBERO Cc1ccc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000179960678 323218482 /nfs/dbraw/zinc/21/84/82/323218482.db2.gz JSWXYUOGPRYXCQ-CQSZACIVSA-N 1 0 320.389 3.067 10 5 DGBERO CC1(C)CCc2ccccc2[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000183128561 323326686 /nfs/dbraw/zinc/32/66/86/323326686.db2.gz YZFQYURYLKZWNJ-MRXNPFEDSA-N 1 0 314.389 3.095 10 5 DGBERO Cc1cnc(CC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2C)s1 ZINC000183381943 323336134 /nfs/dbraw/zinc/33/61/34/323336134.db2.gz YQGWLDPAGZBXHI-UHFFFAOYSA-N 1 0 305.403 3.343 10 5 DGBERO OCCSCCCNc1c2ccccc2[nH+]c2ccccc21 ZINC000584602911 337371149 /nfs/dbraw/zinc/37/11/49/337371149.db2.gz CVLZWYONXVTNDO-UHFFFAOYSA-N 1 0 312.438 3.337 10 5 DGBERO CCC[N@@H+]1CCC[C@H]1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000443085035 528237495 /nfs/dbraw/zinc/23/74/95/528237495.db2.gz IULALXCVZODVRH-ZDUSSCGKSA-N 1 0 302.334 3.192 10 5 DGBERO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC[C@@H]2CCSC2)c1 ZINC000704796581 660818639 /nfs/dbraw/zinc/81/86/39/660818639.db2.gz JSODDIXRRPZCTJ-SNVBAGLBSA-N 1 0 300.811 3.481 10 5 DGBERO CC(C)CC[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162111574 1203149796 /nfs/dbraw/zinc/14/97/96/1203149796.db2.gz YHYVTSKREIJXOB-UHFFFAOYSA-N 1 0 301.184 3.493 10 5 DGBERO CC[C@H]([NH2+]CCO[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000193091713 529604175 /nfs/dbraw/zinc/60/41/75/529604175.db2.gz MGLWXILUYGGEFA-JKSUJKDBSA-N 1 0 308.378 3.179 10 5 DGBERO C[C@H]1C[N+]2(CCCCC2)C[C@@](O)(c2ccc3ccccc3c2)O1 ZINC000000162691 180712087 /nfs/dbraw/zinc/71/20/87/180712087.db2.gz CSBRGCIERQWWEN-JXFKEZNVSA-N 1 0 312.433 3.404 10 5 DGBERO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718971 191220299 /nfs/dbraw/zinc/22/02/99/191220299.db2.gz SPVGFGAPGALVRZ-HZPDHXFCSA-N 1 0 317.433 3.464 10 5 DGBERO CC(C)COC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000067387468 432030142 /nfs/dbraw/zinc/03/01/42/432030142.db2.gz UZOBUGGEBVVCJO-UHFFFAOYSA-N 1 0 322.405 3.111 10 5 DGBERO C[C@@H]([NH2+]C[C@H](O)c1cc(F)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000180444680 199159804 /nfs/dbraw/zinc/15/98/04/199159804.db2.gz KSPNQNHAMUJVEV-HWPZZCPQSA-N 1 0 322.311 3.257 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000187498552 200119791 /nfs/dbraw/zinc/11/97/91/200119791.db2.gz UIHNIMDEKJZNKW-UHFFFAOYSA-N 1 0 314.385 3.420 10 5 DGBERO O=[N+]([O-])c1cccc([C@@H]([NH2+][C@H]2CCCOC2)c2ccccc2)c1 ZINC000180491733 432088401 /nfs/dbraw/zinc/08/84/01/432088401.db2.gz HYOVXNRTUUWKPP-WMZOPIPTSA-N 1 0 312.369 3.453 10 5 DGBERO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000470954855 244198363 /nfs/dbraw/zinc/19/83/63/244198363.db2.gz CWOJUDGWRLVUBD-MNOVXSKESA-N 1 0 318.295 3.246 10 5 DGBERO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC000246352588 432122178 /nfs/dbraw/zinc/12/21/78/432122178.db2.gz WFRXJXUIGRLSET-FUHWJXTLSA-N 1 0 312.369 3.118 10 5 DGBERO Cc1c([C@H](C)[NH2+][C@@H]2CN(C(C)C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000246398409 432126761 /nfs/dbraw/zinc/12/67/61/432126761.db2.gz LNLBKCSAPGHWJF-IVMMDQJWSA-N 1 0 305.422 3.283 10 5 DGBERO Cc1cccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000127212048 284331007 /nfs/dbraw/zinc/33/10/07/284331007.db2.gz ZDGIBDKGSHISJN-QGZVFWFLSA-N 1 0 311.385 3.409 10 5 DGBERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000105896463 194161382 /nfs/dbraw/zinc/16/13/82/194161382.db2.gz KEIYHVHDXWHPOD-MRXNPFEDSA-N 1 0 314.389 3.191 10 5 DGBERO CCc1nccn1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000105896455 194162778 /nfs/dbraw/zinc/16/27/78/194162778.db2.gz KDDNDPHHZIJRFO-INIZCTEOSA-N 1 0 314.389 3.191 10 5 DGBERO O=[N+]([O-])c1cc(Cl)c(OCC2CC[NH2+]CC2)c(Cl)c1 ZINC000050440450 183786448 /nfs/dbraw/zinc/78/64/48/183786448.db2.gz JLMQDTZXWXJKCA-UHFFFAOYSA-N 1 0 305.161 3.280 10 5 DGBERO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000269055369 207204597 /nfs/dbraw/zinc/20/45/97/207204597.db2.gz SCHBZGAQHGMPPT-KEYYUXOJSA-N 1 0 304.390 3.283 10 5 DGBERO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1Cc3ccccc3[C@H]1O)CCC2 ZINC000192871174 285145503 /nfs/dbraw/zinc/14/55/03/285145503.db2.gz HSQKMYODWBHBTC-GUDVDZBRSA-N 1 0 324.380 3.220 10 5 DGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000470173586 533383687 /nfs/dbraw/zinc/38/36/87/533383687.db2.gz CYYADEYOGJCEKM-RXEWJAMOSA-N 1 0 315.417 3.167 10 5 DGBERO C[C@@H](CCCC[NH3+])Nc1ccc([N+](=O)[O-])cc1Br ZINC000311212192 533540702 /nfs/dbraw/zinc/54/07/02/533540702.db2.gz LLSNVQVPLSFINJ-VIFPVBQESA-N 1 0 316.199 3.287 10 5 DGBERO CC[NH+](CC)CC1CCN(c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000610273207 400230375 /nfs/dbraw/zinc/23/03/75/400230375.db2.gz XYCIMYPMLZTUBZ-UHFFFAOYSA-N 1 0 321.421 3.162 10 5 DGBERO Cc1cc(NC[C@@H](C)c2ccncc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611930124 400464162 /nfs/dbraw/zinc/46/41/62/400464162.db2.gz VRMXXIBGRBZHPJ-GFCCVEGCSA-N 1 0 322.368 3.484 10 5 DGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(O)(C1CC1)C1CC1 ZINC000594985188 401219406 /nfs/dbraw/zinc/21/94/06/401219406.db2.gz YWBVKAWSAWHOSO-UKTHLTGXSA-N 1 0 316.401 3.139 10 5 DGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCOC1(C)C ZINC000594993473 401222546 /nfs/dbraw/zinc/22/25/46/401222546.db2.gz ABSQVPZSKLESCR-GLNPCMGASA-N 1 0 304.390 3.403 10 5 DGBERO CC[C@@H]([NH2+]C1CCC(C(=O)OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000192444269 286900984 /nfs/dbraw/zinc/90/09/84/286900984.db2.gz DSJKQPGSUYIBNO-LDZOIKDWSA-N 1 0 320.389 3.367 10 5 DGBERO Cc1c(C[NH+]2CCC(c3ccnn3C)CC2)cccc1[N+](=O)[O-] ZINC000195504417 165371509 /nfs/dbraw/zinc/37/15/09/165371509.db2.gz GFFSTVGSWWFOQQ-UHFFFAOYSA-N 1 0 314.389 3.016 10 5 DGBERO Cc1cc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc(C)c1O ZINC000190393391 432152749 /nfs/dbraw/zinc/15/27/49/432152749.db2.gz ISIUBMAFGDDDSU-UHFFFAOYSA-N 1 0 300.358 3.250 10 5 DGBERO COc1ccc(C[NH2+][C@H]2CCOC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000136717687 432161688 /nfs/dbraw/zinc/16/16/88/432161688.db2.gz KPMBHQHRRDXVOW-AWEZNQCLSA-N 1 0 320.389 3.185 10 5 DGBERO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c(Cl)c1 ZINC000128512703 227009153 /nfs/dbraw/zinc/00/91/53/227009153.db2.gz OERRFIXYULUQPN-CJNGLKHVSA-N 1 0 324.808 3.375 10 5 DGBERO C[C@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000261858120 299852982 /nfs/dbraw/zinc/85/29/82/299852982.db2.gz FLFJENPXSOOJKZ-ZANVPECISA-N 1 0 317.311 3.177 10 5 DGBERO CC(=O)c1ccc([N+](=O)[O-])cc1NC1CC([NH+]2CCCCC2)C1 ZINC000367934748 271100351 /nfs/dbraw/zinc/10/03/51/271100351.db2.gz JZEUODQOHYFIOV-UHFFFAOYSA-N 1 0 317.389 3.226 10 5 DGBERO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247962764 432255739 /nfs/dbraw/zinc/25/57/39/432255739.db2.gz GKGWBQGWMJORQE-KMFMINBZSA-N 1 0 303.406 3.072 10 5 DGBERO CO[C@H]1CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC[C@H]1C ZINC000302554814 274081475 /nfs/dbraw/zinc/08/14/75/274081475.db2.gz KYAMPRRVWOCWSG-DIFFPNOSSA-N 1 0 315.373 3.313 10 5 DGBERO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H]([NH+]3CCCC3)CC2)n1 ZINC000408171428 278665304 /nfs/dbraw/zinc/66/53/04/278665304.db2.gz JJJADROKPFUGKS-HNNXBMFYSA-N 1 0 318.421 3.061 10 5 DGBERO C[C@@H]1C[N+]2(CCCCC2)C[C@](O)(c2ccc3ccccc3c2)O1 ZINC000000162696 431135789 /nfs/dbraw/zinc/13/57/89/431135789.db2.gz CSBRGCIERQWWEN-OXQOHEQNSA-N 1 0 312.433 3.404 10 5 DGBERO COc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2)[NH+](C)C)cc1 ZINC000068838131 431143752 /nfs/dbraw/zinc/14/37/52/431143752.db2.gz RWJSYDKYOIJLOU-KRWDZBQOSA-N 1 0 315.373 3.318 10 5 DGBERO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCC[C@H]2n2cccn2)cc1 ZINC000127846561 431981981 /nfs/dbraw/zinc/98/19/81/431981981.db2.gz HMDFHTWVANPLQS-IAGOWNOFSA-N 1 0 314.389 3.107 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(c2ccnn2C)CC1 ZINC000183317282 432281594 /nfs/dbraw/zinc/28/15/94/432281594.db2.gz TWEUFKIFHILPDQ-UHFFFAOYSA-N 1 0 314.389 3.016 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000183370761 432287222 /nfs/dbraw/zinc/28/72/22/432287222.db2.gz NOKNKWHOLVFYGL-MRXNPFEDSA-N 1 0 317.433 3.211 10 5 DGBERO CC[C@H]([NH2+]CCO[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000193091734 432448452 /nfs/dbraw/zinc/44/84/52/432448452.db2.gz MGLWXILUYGGEFA-HOTGVXAUSA-N 1 0 308.378 3.179 10 5 DGBERO CC[C@@H]([NH2+]CCO[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000193091747 432449319 /nfs/dbraw/zinc/44/93/19/432449319.db2.gz MGLWXILUYGGEFA-CVEARBPZSA-N 1 0 308.378 3.179 10 5 DGBERO Cc1c(NC(=O)CC[NH2+][C@@H](C)C2CCCC2)cccc1[N+](=O)[O-] ZINC000184632773 432414551 /nfs/dbraw/zinc/41/45/51/432414551.db2.gz AGAGFQXXCKNWRI-ZDUSSCGKSA-N 1 0 319.405 3.400 10 5 DGBERO C[C@@H]1C[C@H](N(C)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000154016207 432465331 /nfs/dbraw/zinc/46/53/31/432465331.db2.gz ATSNPRRHYOXJGS-DGCLKSJQSA-N 1 0 311.813 3.163 10 5 DGBERO C[C@H]1CCC[N@@H+]1C1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000154963648 432531787 /nfs/dbraw/zinc/53/17/87/432531787.db2.gz VONPKIIVCPWDID-NSHDSACASA-N 1 0 324.812 3.096 10 5 DGBERO C[C@@H](C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000227304019 432711529 /nfs/dbraw/zinc/71/15/29/432711529.db2.gz BNJOBSRYZZDCDW-RYUDHWBXSA-N 1 0 323.393 3.159 10 5 DGBERO CC[C@H]([NH2+]CC(=O)Nc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000177909742 432672363 /nfs/dbraw/zinc/67/23/63/432672363.db2.gz OQUMPXKYCPRTHM-INIZCTEOSA-N 1 0 313.357 3.274 10 5 DGBERO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000177909755 432672834 /nfs/dbraw/zinc/67/28/34/432672834.db2.gz OQUMPXKYCPRTHM-MRXNPFEDSA-N 1 0 313.357 3.274 10 5 DGBERO CCCCCNC(=O)[C@H](C)[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000178670257 432764644 /nfs/dbraw/zinc/76/46/44/432764644.db2.gz JBHISWFRMRXDPA-XJKSGUPXSA-N 1 0 321.421 3.330 10 5 DGBERO Cc1c(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000178523310 432746259 /nfs/dbraw/zinc/74/62/59/432746259.db2.gz PDYVCPNPVQAPOP-AWEZNQCLSA-N 1 0 320.389 3.067 10 5 DGBERO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](C)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000245434277 432830442 /nfs/dbraw/zinc/83/04/42/432830442.db2.gz CEWYYWYRDBXMBJ-QWHCGFSZSA-N 1 0 319.405 3.352 10 5 DGBERO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245724946 432859528 /nfs/dbraw/zinc/85/95/28/432859528.db2.gz IPYSIQWIIJLGJM-GOEBONIOSA-N 1 0 305.422 3.065 10 5 DGBERO CC(=O)c1cc(NCC[NH+]2[C@@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000342217878 433542136 /nfs/dbraw/zinc/54/21/36/433542136.db2.gz FVGGXAKYBBIDCH-STQMWFEESA-N 1 0 319.405 3.472 10 5 DGBERO CC(C)C[N@@H+]1CCC[C@@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000301769198 433717068 /nfs/dbraw/zinc/71/70/68/433717068.db2.gz JPWIRBULDCMZIM-GFCCVEGCSA-N 1 0 312.801 3.176 10 5 DGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC2(C1)CCCOC2 ZINC000459613380 434633182 /nfs/dbraw/zinc/63/31/82/434633182.db2.gz WXITTWWBKKHIBT-ZSOIEALJSA-N 1 0 302.374 3.111 10 5 DGBERO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)[nH]n1 ZINC000537962982 435476078 /nfs/dbraw/zinc/47/60/78/435476078.db2.gz TUHWNLGYGVSSED-AAEUAGOBSA-N 1 0 302.378 3.217 10 5 DGBERO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])nc1)[NH+]1CCCCCC1 ZINC000519756305 435705939 /nfs/dbraw/zinc/70/59/39/435705939.db2.gz VSRMCHDPUSMYQX-OAHLLOKOSA-N 1 0 306.410 3.302 10 5 DGBERO CC[N@@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000180994267 323243291 /nfs/dbraw/zinc/24/32/91/323243291.db2.gz RUCNAYSKXBBIME-LLVKDONJSA-N 1 0 315.320 3.092 10 5 DGBERO C[C@@H]([NH2+][C@H](CC(N)=O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000182014137 323279677 /nfs/dbraw/zinc/27/96/77/323279677.db2.gz CHLMUYLDOUGAAO-MLGOLLRUSA-N 1 0 319.405 3.070 10 5 DGBERO [NH3+]C[C@@H]1CC[C@H](Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000382420861 323621761 /nfs/dbraw/zinc/62/17/61/323621761.db2.gz KDYXQAURQWHDSV-SFYZADRCSA-N 1 0 304.177 3.441 10 5 DGBERO C[N+](C)(C)[C@H](c1ccccc1)S(=O)(=O)Cc1ccccc1 ZINC000584657885 337378115 /nfs/dbraw/zinc/37/81/15/337378115.db2.gz JSCYEXYJTNPQKL-KRWDZBQOSA-N 1 0 304.435 3.006 10 5 DGBERO CC[C@H]([NH2+]Cc1cccnc1N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000154770623 522660068 /nfs/dbraw/zinc/66/00/68/522660068.db2.gz BZWFMFZRWZSQAY-INIZCTEOSA-N 1 0 314.389 3.297 10 5 DGBERO Cc1cc(N2CCC([N@H+]3CCC[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000204297200 576152773 /nfs/dbraw/zinc/15/27/73/576152773.db2.gz FVISKQNMGQMYIC-CQSZACIVSA-N 1 0 303.406 3.356 10 5 DGBERO C[C@@H]1CC[C@H](C)C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128761265 625221880 /nfs/dbraw/zinc/22/18/80/625221880.db2.gz DMNZUSIAUQPOAI-NWDGAFQWSA-N 1 0 323.368 3.183 10 5 DGBERO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H]2CCSC2)c(Cl)c1 ZINC000704919569 660826254 /nfs/dbraw/zinc/82/62/54/660826254.db2.gz TWQLQHBAYCBKIQ-SNVBAGLBSA-N 1 0 300.811 3.481 10 5 DGBERO C[C@H](CCCC[NH3+])Nc1cc(Br)ccc1[N+](=O)[O-] ZINC000310984480 655967413 /nfs/dbraw/zinc/96/74/13/655967413.db2.gz KFMKPOZDKVRDNM-SECBINFHSA-N 1 0 316.199 3.287 10 5 DGBERO O=[N+]([O-])c1c(F)cccc1NC[C@H]1[NH2+]CCc2ccccc21 ZINC000262524048 657690589 /nfs/dbraw/zinc/69/05/89/657690589.db2.gz OPCLRHOOGOJZGD-OAHLLOKOSA-N 1 0 301.321 3.033 10 5 DGBERO Cc1cc(C)cc([C@@H](O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000174724955 659540575 /nfs/dbraw/zinc/54/05/75/659540575.db2.gz LUFVAGYZVLTLJZ-SFHVURJKSA-N 1 0 314.385 3.377 10 5 DGBERO Fc1cc(C[N+]23CCN(CC2)CC3)ccc1Oc1ccccc1 ZINC000135057288 717150678 /nfs/dbraw/zinc/15/06/78/717150678.db2.gz GPFBYRXGUIDSJN-UHFFFAOYSA-N 1 0 313.396 3.264 10 5 DGBERO CC[C@H]([NH2+][C@H](C)C(=O)NC(C)(C)CC)c1cccc([N+](=O)[O-])c1 ZINC000090068747 185280555 /nfs/dbraw/zinc/28/05/55/185280555.db2.gz YBCNHMMIGZGTAL-DOMZBBRYSA-N 1 0 321.421 3.329 10 5 DGBERO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)CC1(CO)CC1 ZINC000188958583 200327225 /nfs/dbraw/zinc/32/72/25/200327225.db2.gz ZRSKLTGSFNKYCQ-UHFFFAOYSA-N 1 0 316.357 3.059 10 5 DGBERO Cc1nccc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000449503604 240250931 /nfs/dbraw/zinc/25/09/31/240250931.db2.gz UKFDTAIWQQABQH-OAHLLOKOSA-N 1 0 312.373 3.073 10 5 DGBERO O=[N+]([O-])c1ccc2oc(OCCC[C@H]3CCCC[NH2+]3)nc2c1 ZINC000095092048 193422173 /nfs/dbraw/zinc/42/21/73/193422173.db2.gz KAICNXICZUWTLG-LLVKDONJSA-N 1 0 305.334 3.037 10 5 DGBERO CC(C)[C@@H](C)[NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000015415250 182000968 /nfs/dbraw/zinc/00/09/68/182000968.db2.gz UKPKGAKNZBGCSU-GHMZBOCLSA-N 1 0 304.350 3.340 10 5 DGBERO O=[N+]([O-])c1c(Nc2ccccc2)ncnc1Nc1cc[nH+]cc1 ZINC000040586383 183106266 /nfs/dbraw/zinc/10/62/66/183106266.db2.gz QQHGLWRIJFZFJE-UHFFFAOYSA-N 1 0 308.301 3.267 10 5 DGBERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173445895 252658354 /nfs/dbraw/zinc/65/83/54/252658354.db2.gz LTVJTANNBIULNS-NWDGAFQWSA-N 1 0 316.405 3.227 10 5 DGBERO C[C@@H]([NH2+]CCN(C)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000343918248 254203034 /nfs/dbraw/zinc/20/30/34/254203034.db2.gz VPCFRRSKPITPCG-OAHLLOKOSA-N 1 0 313.401 3.377 10 5 DGBERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000120710844 195221299 /nfs/dbraw/zinc/22/12/99/195221299.db2.gz ZDCLLHMDZSCQOY-NEPJUHHUSA-N 1 0 316.405 3.227 10 5 DGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC([C@H](C)O)CC1 ZINC000470171306 533383348 /nfs/dbraw/zinc/38/33/48/533383348.db2.gz IAIQUAAGSBTQDB-ZVHGMHCTSA-N 1 0 304.390 3.091 10 5 DGBERO O=[N+]([O-])c1cc(Cl)c(NCC23CC(C2)C[NH2+]3)c(Cl)c1 ZINC000596027162 400301390 /nfs/dbraw/zinc/30/13/90/400301390.db2.gz PEEYASNMKKJMHC-UHFFFAOYSA-N 1 0 302.161 3.066 10 5 DGBERO CC(C)Oc1cc(N2CC[C@]3(CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000215977434 400948049 /nfs/dbraw/zinc/94/80/49/400948049.db2.gz QVWJNPIUXQAZGV-QGZVFWFLSA-N 1 0 319.405 3.057 10 5 DGBERO Cn1cc2c(n1)CCC[C@@H]2[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000619749274 400898451 /nfs/dbraw/zinc/89/84/51/400898451.db2.gz IJASDERXLKILGC-PKYBCLHXSA-N 1 0 312.373 3.009 10 5 DGBERO O=[N+]([O-])[C@@]12C[N@H+](Cc3ccccc3)C[C@H]1c1ccccc1CC2 ZINC000225911433 400960453 /nfs/dbraw/zinc/96/04/53/400960453.db2.gz YZFQDGILOOBLOO-OALUTQOASA-N 1 0 308.381 3.248 10 5 DGBERO CC[C@H]([NH2+]CCN1CC=C(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000358216762 286000119 /nfs/dbraw/zinc/00/01/19/286000119.db2.gz ANRJTXQVHXGUFC-KRWDZBQOSA-N 1 0 303.406 3.288 10 5 DGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCN1C(C)(C)C ZINC000594969559 401213994 /nfs/dbraw/zinc/21/39/94/401213994.db2.gz WWBOMVNYBDACHC-SHRNQRGKSA-N 1 0 317.433 3.461 10 5 DGBERO CCCCCNC(=O)[C@@H](C)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000090068487 401253231 /nfs/dbraw/zinc/25/32/31/401253231.db2.gz JBHISWFRMRXDPA-CJNGLKHVSA-N 1 0 321.421 3.330 10 5 DGBERO C[C@@H]([NH2+]Cc1ccc(CO)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178566363 164842638 /nfs/dbraw/zinc/84/26/38/164842638.db2.gz JTUCRYWDIDJCAC-LLVKDONJSA-N 1 0 304.321 3.077 10 5 DGBERO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000195340135 165367765 /nfs/dbraw/zinc/36/77/65/165367765.db2.gz JQQLFQQHXJUXJP-CQSZACIVSA-N 1 0 317.414 3.473 10 5 DGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195505624 165372303 /nfs/dbraw/zinc/37/23/03/165372303.db2.gz AEGVBPWELOKLRZ-GFCCVEGCSA-N 1 0 300.362 3.259 10 5 DGBERO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)CC2CCCC2)cc1[N+](=O)[O-] ZINC000191062720 432216451 /nfs/dbraw/zinc/21/64/51/432216451.db2.gz RFDLBQQXBCYRSP-BBRMVZONSA-N 1 0 306.406 3.495 10 5 DGBERO [NH3+][C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000038050879 274961781 /nfs/dbraw/zinc/96/17/81/274961781.db2.gz LNWSOKOQZLXLNQ-QWRGUYRKSA-N 1 0 303.284 3.295 10 5 DGBERO C[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000261858114 278485211 /nfs/dbraw/zinc/48/52/11/278485211.db2.gz FLFJENPXSOOJKZ-RNCFNFMXSA-N 1 0 317.311 3.177 10 5 DGBERO C[C@H]1C[N+]2(CCCCC2)C[C@](O)(c2ccc3ccccc3c2)O1 ZINC000000162694 431136733 /nfs/dbraw/zinc/13/67/33/431136733.db2.gz CSBRGCIERQWWEN-OXJNMPFZSA-N 1 0 312.433 3.404 10 5 DGBERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000120042660 431722487 /nfs/dbraw/zinc/72/24/87/431722487.db2.gz LNWWEXFQEZHGHQ-ZDUSSCGKSA-N 1 0 322.409 3.063 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)CC[C@@H]1C ZINC000174009508 432313752 /nfs/dbraw/zinc/31/37/52/432313752.db2.gz WIGXDYUHQKEJAE-OCCSQVGLSA-N 1 0 319.405 3.352 10 5 DGBERO CCOc1cc(NCc2ccc3c(c2)C[NH2+]C3)ccc1[N+](=O)[O-] ZINC000261898678 432457744 /nfs/dbraw/zinc/45/77/44/432457744.db2.gz OOBVUGHWKUTGJZ-UHFFFAOYSA-N 1 0 313.357 3.209 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186479510 432599238 /nfs/dbraw/zinc/59/92/38/432599238.db2.gz UHKIJYTTYNTRIC-UHFFFAOYSA-N 1 0 322.430 3.001 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCc1nn(C)c2ccccc12 ZINC000187382906 432660772 /nfs/dbraw/zinc/66/07/72/432660772.db2.gz CZQJOVLJRXIFQS-UHFFFAOYSA-N 1 0 324.384 3.122 10 5 DGBERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000229597009 432720441 /nfs/dbraw/zinc/72/04/41/432720441.db2.gz OYUBHAMJGCLABX-KWQFWETISA-N 1 0 303.284 3.166 10 5 DGBERO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)C1CC1 ZINC000160465458 432723366 /nfs/dbraw/zinc/72/33/66/432723366.db2.gz VDUZXAIRCXCBAF-BQFCYCMXSA-N 1 0 318.417 3.057 10 5 DGBERO CC[C@H](NCc1ncc(Cl)n1C)c1cccc([N+](=O)[O-])c1 ZINC000178449459 432738104 /nfs/dbraw/zinc/73/81/04/432738104.db2.gz MVQGGUAUNHWSLY-LBPRGKRZSA-N 1 0 308.769 3.223 10 5 DGBERO O=[N+]([O-])c1ccccc1C[N@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000245868491 432865951 /nfs/dbraw/zinc/86/59/51/432865951.db2.gz LSCRTQTYMICRCO-LSDHHAIUSA-N 1 0 322.430 3.081 10 5 DGBERO CO[C@@H]1CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC[C@H]1C ZINC000302554816 433826014 /nfs/dbraw/zinc/82/60/14/433826014.db2.gz KYAMPRRVWOCWSG-PIGZYNQJSA-N 1 0 315.373 3.313 10 5 DGBERO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(C2CCOCC2)CC1 ZINC000372726914 434849813 /nfs/dbraw/zinc/84/98/13/434849813.db2.gz MZIXBPWPYYDLSI-UHFFFAOYSA-N 1 0 322.380 3.373 10 5 DGBERO C[C@H](O)C[C@H](C)[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000541226268 314001016 /nfs/dbraw/zinc/00/10/16/314001016.db2.gz XKMWCXBZQURHDZ-SUNYJGFJSA-N 1 0 314.385 3.433 10 5 DGBERO Cc1ccc([C@@H](C)[NH2+]CCN2CC=C(C)CC2)cc1[N+](=O)[O-] ZINC000547281247 314352912 /nfs/dbraw/zinc/35/29/12/314352912.db2.gz TZSFRJUMMPOINZ-OAHLLOKOSA-N 1 0 303.406 3.206 10 5 DGBERO [NH3+]C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000504815200 340152901 /nfs/dbraw/zinc/15/29/01/340152901.db2.gz YNDSTMSKUGSANH-CQSZACIVSA-N 1 0 320.732 3.105 10 5 DGBERO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC[C@H]2CCSC2)c1 ZINC000704796579 660818583 /nfs/dbraw/zinc/81/85/83/660818583.db2.gz JSODDIXRRPZCTJ-JTQLQIEISA-N 1 0 300.811 3.481 10 5 DGBERO Cc1ccc(C[NH2+]CCOCc2ccccc2)cc1[N+](=O)[O-] ZINC000080244708 1176242000 /nfs/dbraw/zinc/24/20/00/1176242000.db2.gz SKGDUZCYOKEKAQ-UHFFFAOYSA-N 1 0 300.358 3.210 10 5 DGBERO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC[C@H]1CCC[NH2+]1 ZINC000166886397 1203810273 /nfs/dbraw/zinc/81/02/73/1203810273.db2.gz ZKVMWNFZRIXHBH-SNVBAGLBSA-N 1 0 303.284 3.168 10 5 DGBERO Cc1c([C@H](C)[NH2+][C@@H]2CN(C(C)C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000181282392 199276356 /nfs/dbraw/zinc/27/63/56/199276356.db2.gz LNLBKCSAPGHWJF-DUVNUKRYSA-N 1 0 305.422 3.283 10 5 DGBERO C[C@@H]([NH2+]Cc1ccc(CO)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000173347310 186178823 /nfs/dbraw/zinc/17/88/23/186178823.db2.gz FPFVYTAGOHRMKE-LLVKDONJSA-N 1 0 304.321 3.077 10 5 DGBERO CC(C)[NH+](CCNCc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000072725864 191222716 /nfs/dbraw/zinc/22/27/16/191222716.db2.gz ONCNZTCMVQEHDB-UHFFFAOYSA-N 1 0 313.829 3.457 10 5 DGBERO CC(C)Cn1ccnc1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000164838035 432052344 /nfs/dbraw/zinc/05/23/44/432052344.db2.gz MQFNOMSLWGRUDB-ZDUSSCGKSA-N 1 0 302.378 3.298 10 5 DGBERO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)CC1(CO)CC1 ZINC000188960122 200328374 /nfs/dbraw/zinc/32/83/74/200328374.db2.gz VVNWFRWBKSDLNR-UHFFFAOYSA-N 1 0 316.357 3.059 10 5 DGBERO CC(C)COC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000054328517 283613536 /nfs/dbraw/zinc/61/35/36/283613536.db2.gz IRSNPYKWFXOAKE-UHFFFAOYSA-N 1 0 322.405 3.111 10 5 DGBERO Cc1cccc(NC[C@H]2CCN(c3ccccc3[N+](=O)[O-])C2)[nH+]1 ZINC000171365654 432127800 /nfs/dbraw/zinc/12/78/00/432127800.db2.gz OMLSYDHWACLDKB-CQSZACIVSA-N 1 0 312.373 3.237 10 5 DGBERO CC(C)C[C@@H](CN(C)C)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000105436516 194104481 /nfs/dbraw/zinc/10/44/81/194104481.db2.gz OPPCOVIFBOFNQT-ZDUSSCGKSA-N 1 0 313.829 3.314 10 5 DGBERO CC(C)COCCC[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000061558494 184174372 /nfs/dbraw/zinc/17/43/72/184174372.db2.gz QXAUKRXFZSMBPZ-UHFFFAOYSA-N 1 0 300.786 3.401 10 5 DGBERO CC(C)CC[C@](C)(O)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255668235 285172497 /nfs/dbraw/zinc/17/24/97/285172497.db2.gz SIDMQBSXRMEHIE-QLBOMPFWSA-N 1 0 306.406 3.385 10 5 DGBERO O=[N+]([O-])c1ncccc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000609132397 400142556 /nfs/dbraw/zinc/14/25/56/400142556.db2.gz ORAMFOJNJINZFA-OAHLLOKOSA-N 1 0 318.421 3.082 10 5 DGBERO Cc1cc(N2CCC[C@@H]([NH+]3CCCCCC3)C2)ncc1[N+](=O)[O-] ZINC000074749504 400532619 /nfs/dbraw/zinc/53/26/19/400532619.db2.gz UWGOTLFOMLSNIN-OAHLLOKOSA-N 1 0 318.421 3.143 10 5 DGBERO C[NH+](C)[C@H]1CCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000170865684 400778053 /nfs/dbraw/zinc/77/80/53/400778053.db2.gz FQCZSTXZYOBPKM-HNNXBMFYSA-N 1 0 319.408 3.164 10 5 DGBERO CC[N@@H+]1CC[C@H](N(C)C/C=C/c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245786945 401014983 /nfs/dbraw/zinc/01/49/83/401014983.db2.gz VJRRTZZSAQIOLF-OJJSLQOQSA-N 1 0 317.433 3.270 10 5 DGBERO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000058562960 401060285 /nfs/dbraw/zinc/06/02/85/401060285.db2.gz FJQJFHURKRISRL-NSHDSACASA-N 1 0 318.295 3.248 10 5 DGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)c1nccn1C ZINC000594997167 401224042 /nfs/dbraw/zinc/22/40/42/401224042.db2.gz YWDSTQFVNYALSU-CNELAYHGSA-N 1 0 300.362 3.082 10 5 DGBERO CCCCCNC(=O)[C@H](C)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000090068488 401253493 /nfs/dbraw/zinc/25/34/93/401253493.db2.gz JBHISWFRMRXDPA-BBRMVZONSA-N 1 0 321.421 3.330 10 5 DGBERO COc1ccc(OCC[NH2+][C@H](C)c2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000182570193 432205787 /nfs/dbraw/zinc/20/57/87/432205787.db2.gz JWYYYKMBRMRZNU-GFCCVEGCSA-N 1 0 320.345 3.234 10 5 DGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC1(C)C ZINC000077382795 431591534 /nfs/dbraw/zinc/59/15/34/431591534.db2.gz IDDXPCZIPBCDQB-UHFFFAOYSA-N 1 0 305.378 3.106 10 5 DGBERO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000249068206 432335578 /nfs/dbraw/zinc/33/55/78/432335578.db2.gz KLLYXFDKUNKETO-UMVBOHGHSA-N 1 0 320.389 3.095 10 5 DGBERO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000192798490 432417382 /nfs/dbraw/zinc/41/73/82/432417382.db2.gz DJWCGAAYIIKODB-NSHDSACASA-N 1 0 319.386 3.336 10 5 DGBERO CC[C@H]([NH2+][C@H](C)C(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000178099267 432694324 /nfs/dbraw/zinc/69/43/24/432694324.db2.gz NIPFPMHCAJHTOH-WBMJQRKESA-N 1 0 319.405 3.083 10 5 DGBERO Cc1cccc2nc(CNc3ncc([N+](=O)[O-])cc3Cl)cn21 ZINC000301289218 433488699 /nfs/dbraw/zinc/48/86/99/433488699.db2.gz SNADXPQGMXCHLI-UHFFFAOYSA-N 1 0 317.736 3.211 10 5 DGBERO Cc1c([C@@H](C)[NH2+][C@H](CO)CC2CCCC2)cccc1[N+](=O)[O-] ZINC000511020536 294398819 /nfs/dbraw/zinc/39/88/19/294398819.db2.gz WGTKZISRUIFXEF-HIFRSBDPSA-N 1 0 306.406 3.495 10 5 DGBERO COC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000539381181 313909853 /nfs/dbraw/zinc/90/98/53/313909853.db2.gz MEXAUKKQOOZYKZ-QGZVFWFLSA-N 1 0 318.348 3.254 10 5 DGBERO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)C[C@@H]1CC=CCC1 ZINC000544106727 314174048 /nfs/dbraw/zinc/17/40/48/314174048.db2.gz YLTKHJJKZYSJSB-CQSZACIVSA-N 1 0 317.389 3.130 10 5 DGBERO C[C@@H]([NH2+][C@@H](CC(N)=O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000182014100 323279703 /nfs/dbraw/zinc/27/97/03/323279703.db2.gz CHLMUYLDOUGAAO-WBMJQRKESA-N 1 0 319.405 3.070 10 5 DGBERO Cc1c([C@@H](C)[NH2+]Cc2cccnc2N(C)C)cccc1[N+](=O)[O-] ZINC000154763714 525899767 /nfs/dbraw/zinc/89/97/67/525899767.db2.gz UGJGBSPQHLIINJ-CYBMUJFWSA-N 1 0 314.389 3.215 10 5 DGBERO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@@H+]2Cc2ccccc2)c(F)c1 ZINC000715648399 1090669799 /nfs/dbraw/zinc/66/97/99/1090669799.db2.gz MOYMORRTXIHLNR-HNNXBMFYSA-N 1 0 315.348 3.420 10 5 DGBERO Cc1ccc(C[NH+]2CCC(c3ccnn3C)CC2)cc1[N+](=O)[O-] ZINC000092810353 185342742 /nfs/dbraw/zinc/34/27/42/185342742.db2.gz JXHOBMYUIZJZRW-UHFFFAOYSA-N 1 0 314.389 3.016 10 5 DGBERO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000470952179 244196509 /nfs/dbraw/zinc/19/65/09/244196509.db2.gz BFMJJXWEQPFQGV-ZWNOBZJWSA-N 1 0 302.296 3.410 10 5 DGBERO CC(C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000016518487 182048285 /nfs/dbraw/zinc/04/82/85/182048285.db2.gz FEONYYWTCYKNIM-ZJUUUORDSA-N 1 0 313.785 3.209 10 5 DGBERO [NH3+][C@@H]1CN(Cc2ccccc2Cl)c2ccc([N+](=O)[O-])cc21 ZINC000019795936 182150573 /nfs/dbraw/zinc/15/05/73/182150573.db2.gz ZJQZYFVYPQTINN-CQSZACIVSA-N 1 0 303.749 3.268 10 5 DGBERO O=[N+]([O-])c1c(Nc2cc[nH+]cc2)ncnc1NC1CCCCC1 ZINC000040586299 183105545 /nfs/dbraw/zinc/10/55/45/183105545.db2.gz FXZHZGCJYUDTLB-UHFFFAOYSA-N 1 0 314.349 3.268 10 5 DGBERO CCOc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000153907915 284700348 /nfs/dbraw/zinc/70/03/48/284700348.db2.gz WOYLCMRQYPNCFT-CFVMTHIKSA-N 1 0 322.405 3.195 10 5 DGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886559 194158003 /nfs/dbraw/zinc/15/80/03/194158003.db2.gz JBAPPXAXNPKELB-CQSZACIVSA-N 1 0 314.389 3.265 10 5 DGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886557 194158085 /nfs/dbraw/zinc/15/80/85/194158085.db2.gz JBAPPXAXNPKELB-AWEZNQCLSA-N 1 0 314.389 3.265 10 5 DGBERO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000269055367 207204757 /nfs/dbraw/zinc/20/47/57/207204757.db2.gz SCHBZGAQHGMPPT-JKIFEVAISA-N 1 0 304.390 3.283 10 5 DGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC([C@@H](C)O)CC1 ZINC000470171303 533406593 /nfs/dbraw/zinc/40/65/93/533406593.db2.gz IAIQUAAGSBTQDB-JWAFFJSPSA-N 1 0 304.390 3.091 10 5 DGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CC=C(C)CC1 ZINC000468623188 533408501 /nfs/dbraw/zinc/40/85/01/533408501.db2.gz XSUWUSCXRLNYMJ-FOWTUZBSSA-N 1 0 315.417 3.240 10 5 DGBERO C[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)C ZINC000072632940 400394285 /nfs/dbraw/zinc/39/42/85/400394285.db2.gz MHHPGWTWMADWSI-SNVBAGLBSA-N 1 0 304.350 3.169 10 5 DGBERO CC(C)(CO)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000611521001 400415355 /nfs/dbraw/zinc/41/53/55/400415355.db2.gz RMETUSXCBXQIDL-KRWDZBQOSA-N 1 0 314.385 3.292 10 5 DGBERO CCC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000074258614 400500431 /nfs/dbraw/zinc/50/04/31/400500431.db2.gz AOABQFXDQDVECF-UHFFFAOYSA-N 1 0 314.389 3.065 10 5 DGBERO Cc1cc(N2CCC([N@H+]3CCC[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000147028207 400650946 /nfs/dbraw/zinc/65/09/46/400650946.db2.gz FVISKQNMGQMYIC-AWEZNQCLSA-N 1 0 303.406 3.356 10 5 DGBERO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cccc3cnccc32)cc1 ZINC000171404672 400798833 /nfs/dbraw/zinc/79/88/33/400798833.db2.gz HVZAWTVPCYWRQQ-UHFFFAOYSA-N 1 0 307.353 3.475 10 5 DGBERO CC(=O)c1ccc(NCC[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000079914510 400905771 /nfs/dbraw/zinc/90/57/71/400905771.db2.gz WWNAJLOCNHSEST-LBPRGKRZSA-N 1 0 305.378 3.084 10 5 DGBERO [NH3+]C1(CNc2ccc([N+](=O)[O-])cc2Br)CCCC1 ZINC000594692289 401151400 /nfs/dbraw/zinc/15/14/00/401151400.db2.gz URXGMIXZJYIUGP-UHFFFAOYSA-N 1 0 314.183 3.041 10 5 DGBERO CC[C@H]([NH2+][C@@H]1CN(C(C)C)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000247076259 432200153 /nfs/dbraw/zinc/20/01/53/432200153.db2.gz NHSLSPWJJUZHFI-XOKHGSTOSA-N 1 0 305.422 3.364 10 5 DGBERO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc2ccccc2c1 ZINC000130974806 196128845 /nfs/dbraw/zinc/12/88/45/196128845.db2.gz UOSDOEYOJYKRAI-ZDUSSCGKSA-N 1 0 310.357 3.295 10 5 DGBERO COc1ccc(OCC[NH2+][C@@H](C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000184641242 228384996 /nfs/dbraw/zinc/38/49/96/228384996.db2.gz JSEQRJMTOAZXRX-LBPRGKRZSA-N 1 0 308.378 3.151 10 5 DGBERO CC[NH+](CC)C[C@@H]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000247688734 432247317 /nfs/dbraw/zinc/24/73/17/432247317.db2.gz VOUJNAVICRUVEO-CABCVRRESA-N 1 0 305.422 3.320 10 5 DGBERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000191330016 276117052 /nfs/dbraw/zinc/11/70/52/276117052.db2.gz LHTNXEWMEIBTPT-CYBMUJFWSA-N 1 0 322.409 3.063 10 5 DGBERO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H]2c2ccco2)cc1 ZINC000116296156 431505106 /nfs/dbraw/zinc/50/51/06/431505106.db2.gz ILDSURFWRRDTIG-HNNXBMFYSA-N 1 0 302.330 3.404 10 5 DGBERO O=[N+]([O-])c1c(F)cccc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000171139593 280353817 /nfs/dbraw/zinc/35/38/17/280353817.db2.gz ZLKBLDVJACFNID-UHFFFAOYSA-N 1 0 307.369 3.046 10 5 DGBERO [NH3+]CCc1cc2cc[nH]c(=O)c2c2cc(-c3ccc[nH]3)ccc12 ZINC000028955872 431714875 /nfs/dbraw/zinc/71/48/75/431714875.db2.gz WJMPVPWDWSULEM-UHFFFAOYSA-N 1 0 303.365 3.178 10 5 DGBERO Cc1cnn([C@H]2CCC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000123009421 431851401 /nfs/dbraw/zinc/85/14/01/431851401.db2.gz VJRXAYVIRFNYEH-INIZCTEOSA-N 1 0 314.389 3.245 10 5 DGBERO O=[N+]([O-])c1ccc2sc(OCC[C@@H]3CCCC[NH2+]3)nc2c1 ZINC000095092079 431922365 /nfs/dbraw/zinc/92/23/65/431922365.db2.gz XQWDXCIVZHAZOV-JTQLQIEISA-N 1 0 307.375 3.116 10 5 DGBERO O=[N+]([O-])c1ccccc1/C=C/CN1CCC([NH+]2CCCC2)CC1 ZINC000127703352 431978222 /nfs/dbraw/zinc/97/82/22/431978222.db2.gz VSPDXSFKZUYZQD-FNORWQNLSA-N 1 0 315.417 3.168 10 5 DGBERO COc1cccc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173325921 432272152 /nfs/dbraw/zinc/27/21/52/432272152.db2.gz MOGHQEZIBPMJRU-CYBMUJFWSA-N 1 0 300.358 3.497 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000183361409 432286871 /nfs/dbraw/zinc/28/68/71/432286871.db2.gz WNZQKYDUOOSPFD-NVXWUHKLSA-N 1 0 304.390 3.030 10 5 DGBERO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000183154642 432263455 /nfs/dbraw/zinc/26/34/55/432263455.db2.gz XRUBNQBUGFODBY-IUODEOHRSA-N 1 0 308.378 3.039 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1cccs1 ZINC000192870379 432424043 /nfs/dbraw/zinc/42/40/43/432424043.db2.gz XTUBZZFDSGTMJS-LLVKDONJSA-N 1 0 319.386 3.254 10 5 DGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1cccs1 ZINC000192870256 432424303 /nfs/dbraw/zinc/42/43/03/432424303.db2.gz JFCDTPKUQLBYAH-NSHDSACASA-N 1 0 319.386 3.254 10 5 DGBERO C[C@H]1CCC[N@@H+]1C1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000154960684 432532079 /nfs/dbraw/zinc/53/20/79/432532079.db2.gz MKLNNYXIPSPHJZ-NSHDSACASA-N 1 0 324.812 3.096 10 5 DGBERO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000195194987 432610692 /nfs/dbraw/zinc/61/06/92/432610692.db2.gz QIGSDRDTOCHIRP-LLVKDONJSA-N 1 0 318.295 3.248 10 5 DGBERO Cc1c([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@@H]2O)cccc1[N+](=O)[O-] ZINC000178357926 432726271 /nfs/dbraw/zinc/72/62/71/432726271.db2.gz YLFWRAYTCQLOOV-XZOAIXRZSA-N 1 0 312.369 3.212 10 5 DGBERO Cc1nccn1C[C@H]1CCC[N@H+]1[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000178292175 432716552 /nfs/dbraw/zinc/71/65/52/432716552.db2.gz WQJBPLXMJGRTAZ-SUMWQHHRSA-N 1 0 314.389 3.325 10 5 DGBERO C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1c1cccc(F)c1 ZINC000245411668 432828343 /nfs/dbraw/zinc/82/83/43/432828343.db2.gz XYOTUOBRPSZROO-BLLLJJGKSA-N 1 0 318.352 3.014 10 5 DGBERO Cc1c(NC(=O)CC[N@@H+]2C[C@H](C)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000245434276 432830137 /nfs/dbraw/zinc/83/01/37/432830137.db2.gz CEWYYWYRDBXMBJ-CHWSQXEVSA-N 1 0 319.405 3.352 10 5 DGBERO CC[C@@H]([NH2+][C@@H](C)CC(=O)N(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000161626948 432790340 /nfs/dbraw/zinc/79/03/40/432790340.db2.gz CDERMUJSMAMJEX-XJKSGUPXSA-N 1 0 321.421 3.283 10 5 DGBERO COc1cnccc1[C@H](C)NCc1ccc([N+](=O)[O-])cc1C ZINC000189548474 432797922 /nfs/dbraw/zinc/79/79/22/432797922.db2.gz HJAACJHHXHOSLY-LBPRGKRZSA-N 1 0 301.346 3.158 10 5 DGBERO C[C@@H](Nc1ccc([N+](=O)[O-])nc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450435233 434182249 /nfs/dbraw/zinc/18/22/49/434182249.db2.gz OUTBXPXGOYYIED-OLZOCXBDSA-N 1 0 304.394 3.055 10 5 DGBERO CC(=O)c1cc(NCC[N@@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000573173793 434879264 /nfs/dbraw/zinc/87/92/64/434879264.db2.gz UPHJYCIAQOLCSO-UHFFFAOYSA-N 1 0 319.405 3.474 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@H]1CC=CCC1 ZINC000542243006 314064152 /nfs/dbraw/zinc/06/41/52/314064152.db2.gz KJMQPQRTXUZUII-AWEZNQCLSA-N 1 0 317.389 3.130 10 5 DGBERO Cc1c([C@@H](C)[NH2+]CCN2CC=C(C)CC2)cccc1[N+](=O)[O-] ZINC000545157676 314228881 /nfs/dbraw/zinc/22/88/81/314228881.db2.gz LQBVKNJHOWSKON-OAHLLOKOSA-N 1 0 303.406 3.206 10 5 DGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000560943252 314949350 /nfs/dbraw/zinc/94/93/50/314949350.db2.gz DWCJIYPNMIMLKX-WBMJQRKESA-N 1 0 314.389 3.365 10 5 DGBERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000183207425 323330376 /nfs/dbraw/zinc/33/03/76/323330376.db2.gz KWQXRCFISHOAKS-INIZCTEOSA-N 1 0 314.389 3.095 10 5 DGBERO C[N+](C)(C)[C@@H](c1ccccc1)S(=O)(=O)Cc1ccccc1 ZINC000584657892 337378083 /nfs/dbraw/zinc/37/80/83/337378083.db2.gz JSCYEXYJTNPQKL-QGZVFWFLSA-N 1 0 304.435 3.006 10 5 DGBERO C[NH2+]CCC1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000157896281 521985344 /nfs/dbraw/zinc/98/53/44/521985344.db2.gz VXMAIPCIVJKLNY-UHFFFAOYSA-N 1 0 311.813 3.070 10 5 DGBERO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000156989049 527385927 /nfs/dbraw/zinc/38/59/27/527385927.db2.gz BBVVEZOZAJGWCR-CYBMUJFWSA-N 1 0 303.387 3.431 10 5 DGBERO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC[C@H]1CCSC1 ZINC000704918424 660826406 /nfs/dbraw/zinc/82/64/06/660826406.db2.gz JPYMGGRCIPRQSP-JTQLQIEISA-N 1 0 300.811 3.481 10 5 DGBERO C[C@@H]([NH3+])[C@@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000235178828 655832362 /nfs/dbraw/zinc/83/23/62/655832362.db2.gz IACASKGWJPEVOQ-HTQZYQBOSA-N 1 0 304.177 3.075 10 5 DGBERO C[C@@H](CCCC[NH3+])Nc1cc(Br)ccc1[N+](=O)[O-] ZINC000310984482 655967393 /nfs/dbraw/zinc/96/73/93/655967393.db2.gz KFMKPOZDKVRDNM-VIFPVBQESA-N 1 0 316.199 3.287 10 5 DGBERO COc1ccc(C(=O)O[C@@H]2CC[C@@H]3CC[N+](C)(C)C[C@@H]3C2)cc1 ZINC000003628298 717096262 /nfs/dbraw/zinc/09/62/62/717096262.db2.gz YOJIOAQNBHJUPH-UWWQBHOKSA-N 1 0 318.437 3.117 10 5 DGBERO CCC[C@@H]([NH2+]CCCN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000159530991 186125724 /nfs/dbraw/zinc/12/57/24/186125724.db2.gz JMTOJZSWSUQLDP-MRXNPFEDSA-N 1 0 319.405 3.038 10 5 DGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC([NH+]2CCCC2)CC1 ZINC000067457244 432031371 /nfs/dbraw/zinc/03/13/71/432031371.db2.gz WOXVENCIWASCNP-AWEZNQCLSA-N 1 0 303.406 3.216 10 5 DGBERO O=[N+]([O-])c1cc(CN2CCCC[C@H]([NH+]3CCCC3)C2)cs1 ZINC000107697510 432037601 /nfs/dbraw/zinc/03/76/01/432037601.db2.gz XGCFFOKRCZKQMG-AWEZNQCLSA-N 1 0 309.435 3.107 10 5 DGBERO [NH3+]CCCc1nc2cc([N+](=O)[O-])ccc2n1C1CCCCC1 ZINC000005590676 181260968 /nfs/dbraw/zinc/26/09/68/181260968.db2.gz MVMCZLMNCGNOTI-UHFFFAOYSA-N 1 0 302.378 3.341 10 5 DGBERO CCC[N@H+](C)C[C@H]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000081570650 192293123 /nfs/dbraw/zinc/29/31/23/192293123.db2.gz AGSXWFUKOVNWOP-LSDHHAIUSA-N 1 0 305.422 3.320 10 5 DGBERO O=[N+]([O-])c1ccc(-[n+]2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000006116701 181314032 /nfs/dbraw/zinc/31/40/32/181314032.db2.gz NRQITUNEBCHJCK-UHFFFAOYSA-N 1 0 322.300 3.447 10 5 DGBERO O=C(CC[NH2+][C@@H]1CCC12CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000451458720 241130314 /nfs/dbraw/zinc/13/03/14/241130314.db2.gz OZDKRODYXJPOJJ-OAHLLOKOSA-N 1 0 317.389 3.236 10 5 DGBERO [NH3+][C@H]1CN(Cc2ccccc2Cl)c2ccc([N+](=O)[O-])cc21 ZINC000019795939 182150680 /nfs/dbraw/zinc/15/06/80/182150680.db2.gz ZJQZYFVYPQTINN-AWEZNQCLSA-N 1 0 303.749 3.268 10 5 DGBERO CC[C@@H]([NH2+]CC(=O)N1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000181525446 432134539 /nfs/dbraw/zinc/13/45/39/432134539.db2.gz VCRCNZIQRQOMTR-MRXNPFEDSA-N 1 0 319.405 3.038 10 5 DGBERO CC[C@H]([NH2+]CC(=O)NCCC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181533704 432134780 /nfs/dbraw/zinc/13/47/80/432134780.db2.gz MTYJLMJEBRGGHW-HNNXBMFYSA-N 1 0 321.421 3.188 10 5 DGBERO Cc1cccc(NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000137354715 284518210 /nfs/dbraw/zinc/51/82/10/284518210.db2.gz PTBSCCLBNVSHFH-ZDUSSCGKSA-N 1 0 313.357 3.193 10 5 DGBERO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@@H]1CCCCC1(F)F)CC2 ZINC000408456611 285184050 /nfs/dbraw/zinc/18/40/50/285184050.db2.gz JVZJTTVMBUJKQR-LBPRGKRZSA-N 1 0 311.332 3.173 10 5 DGBERO COc1cnccc1[C@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000438468850 533150645 /nfs/dbraw/zinc/15/06/45/533150645.db2.gz YKLXSMKLDPILFJ-VGVVRCBHSA-N 1 0 313.357 3.362 10 5 DGBERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000120711000 195221432 /nfs/dbraw/zinc/22/14/32/195221432.db2.gz ZDCLLHMDZSCQOY-RYUDHWBXSA-N 1 0 316.405 3.227 10 5 DGBERO Cc1ccc(C[NH+]2CCC(Cn3cccn3)CC2)cc1[N+](=O)[O-] ZINC000122069512 195397513 /nfs/dbraw/zinc/39/75/13/195397513.db2.gz KAKWFGKHLPAMAK-UHFFFAOYSA-N 1 0 314.389 3.012 10 5 DGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC([NH+](C)C)CC1 ZINC000470182217 533383024 /nfs/dbraw/zinc/38/30/24/533383024.db2.gz KABZFLBUPCBIGN-KAMYIIQDSA-N 1 0 303.406 3.024 10 5 DGBERO Cc1cc(C)c([N+](=O)[O-])c(NC2CC[NH+](C3CCCC3)CC2)n1 ZINC000584674122 400087432 /nfs/dbraw/zinc/08/74/32/400087432.db2.gz HBWHFPHDPZOYOW-UHFFFAOYSA-N 1 0 318.421 3.426 10 5 DGBERO CCC[NH+]1CCC(CNc2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000611616114 400429163 /nfs/dbraw/zinc/42/91/63/400429163.db2.gz PTZAQAJQWRKIDF-UHFFFAOYSA-N 1 0 306.410 3.141 10 5 DGBERO Cc1cc(N2CCOCC3(CC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611931126 400465548 /nfs/dbraw/zinc/46/55/48/400465548.db2.gz URBHJXNNGCHMLD-UHFFFAOYSA-N 1 0 313.357 3.068 10 5 DGBERO CC(=O)c1ccc(NCCC[N@@H+](C)CC(C)C)c([N+](=O)[O-])c1 ZINC000593481197 400862116 /nfs/dbraw/zinc/86/21/16/400862116.db2.gz YGTAINQABJSITH-UHFFFAOYSA-N 1 0 307.394 3.187 10 5 DGBERO Cn1cc([C@H]2CCC[N@@H+]2C/C=C\c2ccccc2[N+](=O)[O-])cn1 ZINC000255324332 401103759 /nfs/dbraw/zinc/10/37/59/401103759.db2.gz DNOXMRDQTXQDOC-HQQUCIOCSA-N 1 0 312.373 3.179 10 5 DGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(O)(C1CC1)C1CC1 ZINC000594985187 401219584 /nfs/dbraw/zinc/21/95/84/401219584.db2.gz YWBVKAWSAWHOSO-LCYFTJDESA-N 1 0 316.401 3.139 10 5 DGBERO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000090068803 401253510 /nfs/dbraw/zinc/25/35/10/401253510.db2.gz SJHLZOSWKCSODU-WBMJQRKESA-N 1 0 321.421 3.329 10 5 DGBERO CC(C)(C)Oc1cc(NCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000359476516 286316554 /nfs/dbraw/zinc/31/65/54/286316554.db2.gz ATKHBDQPZQAHHC-UHFFFAOYSA-N 1 0 307.394 3.280 10 5 DGBERO COc1cccc(CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000361929570 286746153 /nfs/dbraw/zinc/74/61/53/286746153.db2.gz NWUOBSZRWASDRE-CYBMUJFWSA-N 1 0 315.373 3.200 10 5 DGBERO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC=C(c3ccccc3)CC2)c1 ZINC000136808548 432163973 /nfs/dbraw/zinc/16/39/73/432163973.db2.gz XCSVOJZMWHHYAH-IBGZPJMESA-N 1 0 324.380 3.418 10 5 DGBERO O=[N+]([O-])c1cc(CN2CCC[N@@H+](C3CCCC3)CC2)cs1 ZINC000172585804 432223742 /nfs/dbraw/zinc/22/37/42/432223742.db2.gz YAFNKQZQXGHCNU-UHFFFAOYSA-N 1 0 309.435 3.107 10 5 DGBERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000175330497 276169696 /nfs/dbraw/zinc/16/96/96/276169696.db2.gz WUFRNBNPZCRTOR-CQSZACIVSA-N 1 0 311.813 3.164 10 5 DGBERO CC(C)(O)CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000480712941 277313446 /nfs/dbraw/zinc/31/34/46/277313446.db2.gz LBKPGVYVQVCCMB-KRWDZBQOSA-N 1 0 314.385 3.435 10 5 DGBERO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000116294892 431500584 /nfs/dbraw/zinc/50/05/84/431500584.db2.gz ZMXXBASOFJQVMJ-ZDUSSCGKSA-N 1 0 302.330 3.404 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(Cn2cccn2)CC1 ZINC000183333535 432283474 /nfs/dbraw/zinc/28/34/74/432283474.db2.gz JHJHGOUKHVVHQB-UHFFFAOYSA-N 1 0 314.389 3.012 10 5 DGBERO CC[NH+](CC)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183372404 432286788 /nfs/dbraw/zinc/28/67/88/432286788.db2.gz OZYZFKNPINPEJE-OAHLLOKOSA-N 1 0 305.422 3.067 10 5 DGBERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000192678804 432399534 /nfs/dbraw/zinc/39/95/34/432399534.db2.gz WEPKCJBLQKSLQO-MNOVXSKESA-N 1 0 319.386 3.334 10 5 DGBERO C[C@@H]([NH2+][C@H](C)c1cccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000192678827 432399692 /nfs/dbraw/zinc/39/96/92/432399692.db2.gz WEPKCJBLQKSLQO-GHMZBOCLSA-N 1 0 319.386 3.334 10 5 DGBERO Cc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000192806453 432417091 /nfs/dbraw/zinc/41/70/91/432417091.db2.gz XXOCDXALICKFGV-GFCCVEGCSA-N 1 0 317.345 3.176 10 5 DGBERO Cn1cccc1[C@H]1CCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000193794167 432499115 /nfs/dbraw/zinc/49/91/15/432499115.db2.gz URGDJHOGUZAFAE-MRXNPFEDSA-N 1 0 303.337 3.410 10 5 DGBERO CCC(CC)NC(=O)[C@H](C)[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000178670519 432764863 /nfs/dbraw/zinc/76/48/63/432764863.db2.gz SJHLZOSWKCSODU-BLLLJJGKSA-N 1 0 321.421 3.329 10 5 DGBERO CC[C@H]([NH2+]Cc1cccc(OC)n1)c1cccc([N+](=O)[O-])c1 ZINC000178755273 432775355 /nfs/dbraw/zinc/77/53/55/432775355.db2.gz HNFDRRSNPPYRMR-HNNXBMFYSA-N 1 0 301.346 3.239 10 5 DGBERO CC[C@@H](NCc1ncc(Cl)n1C)c1cccc([N+](=O)[O-])c1 ZINC000178449472 432737894 /nfs/dbraw/zinc/73/78/94/432737894.db2.gz MVQGGUAUNHWSLY-GFCCVEGCSA-N 1 0 308.769 3.223 10 5 DGBERO CCC[N@H+](C)C[C@@H]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245412262 432828299 /nfs/dbraw/zinc/82/82/99/432828299.db2.gz AGSXWFUKOVNWOP-CABCVRRESA-N 1 0 305.422 3.320 10 5 DGBERO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000245504540 432837588 /nfs/dbraw/zinc/83/75/88/432837588.db2.gz KJXSBQSNHDQYSM-JGGQBBKZSA-N 1 0 322.405 3.195 10 5 DGBERO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCN(CC)C2)cc1[N+](=O)[O-] ZINC000245510925 432838794 /nfs/dbraw/zinc/83/87/94/432838794.db2.gz XENAUHCLDYZCAB-HIFRSBDPSA-N 1 0 321.421 3.128 10 5 DGBERO CC(=O)c1ccc(NCC[N@@H+](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000301133916 433430034 /nfs/dbraw/zinc/43/00/34/433430034.db2.gz ZNQLDNKTIZZCCH-UHFFFAOYSA-N 1 0 319.405 3.474 10 5 DGBERO C[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000185641165 289981015 /nfs/dbraw/zinc/98/10/15/289981015.db2.gz DUFMAMKFMTVUFP-XHDPSFHLSA-N 1 0 316.332 3.388 10 5 DGBERO CC[C@H]([NH2+]CCc1cccc(OC)n1)c1cccc([N+](=O)[O-])c1 ZINC000361928703 433455230 /nfs/dbraw/zinc/45/52/30/433455230.db2.gz XOBDXMDUFWDQPH-INIZCTEOSA-N 1 0 315.373 3.282 10 5 DGBERO CC(=O)c1cc(NCC[N@H+]2[C@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000342217872 433540964 /nfs/dbraw/zinc/54/09/64/433540964.db2.gz FVGGXAKYBBIDCH-BETUJISGSA-N 1 0 319.405 3.472 10 5 DGBERO Cc1ccc([C@@H](C)[NH2+][C@H](CO)CC2CCCC2)cc1[N+](=O)[O-] ZINC000511025832 294398884 /nfs/dbraw/zinc/39/88/84/294398884.db2.gz GEMIXPVGZVGQEY-CJNGLKHVSA-N 1 0 306.406 3.495 10 5 DGBERO Cc1c([C@H](C)[NH2+][C@H](CO)CC2CCCC2)cccc1[N+](=O)[O-] ZINC000511020538 294398914 /nfs/dbraw/zinc/39/89/14/294398914.db2.gz WGTKZISRUIFXEF-ZFWWWQNUSA-N 1 0 306.406 3.495 10 5 DGBERO C[N@H+](Cc1ccccc1)CC(C)(C)Nc1ccc([N+](=O)[O-])nc1 ZINC000379680612 434260343 /nfs/dbraw/zinc/26/03/43/434260343.db2.gz NGIKUKCMSNXBKS-UHFFFAOYSA-N 1 0 314.389 3.312 10 5 DGBERO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@@H+]2CC2CCCCC2)cn1 ZINC000568559725 435446386 /nfs/dbraw/zinc/44/63/86/435446386.db2.gz OVZFYFIAUYOWLF-MRXNPFEDSA-N 1 0 318.421 3.446 10 5 DGBERO CC1=CCN(CC[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000545151331 314228461 /nfs/dbraw/zinc/22/84/61/314228461.db2.gz REORLXPGOUIUML-UHFFFAOYSA-N 1 0 317.433 3.460 10 5 DGBERO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cn2ccccc2n1 ZINC000556232866 314749525 /nfs/dbraw/zinc/74/95/25/314749525.db2.gz DCHFODNHFRWLOV-ZDUSSCGKSA-N 1 0 310.357 3.136 10 5 DGBERO CC(C)C[C@@H](CO)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000185343689 323388387 /nfs/dbraw/zinc/38/83/87/323388387.db2.gz PVZABFCUWUFMIP-ZDUSSCGKSA-N 1 0 300.786 3.087 10 5 DGBERO CC(C)(CO)[NH2+]C[C@@H](O)c1cc2ccccc2c2ccccc21 ZINC000584590797 337373288 /nfs/dbraw/zinc/37/32/88/337373288.db2.gz VSPFHWYRTXCYLP-LJQANCHMSA-N 1 0 309.409 3.387 10 5 DGBERO CC(C)(CO)[NH2+]C[C@H](O)c1cc2ccccc2c2ccccc21 ZINC000584590796 337373336 /nfs/dbraw/zinc/37/33/36/337373336.db2.gz VSPFHWYRTXCYLP-IBGZPJMESA-N 1 0 309.409 3.387 10 5 DGBERO C/C=C1/C[N@@+]2(C)[C@H]3C[C@@H]1[C@H](CO)[C@@H]2Cc1c2ccccc2[nH]c13 ZINC000255223806 546335445 /nfs/dbraw/zinc/33/54/45/546335445.db2.gz KRTATNOTKFNEFT-JQJKOZPISA-N 1 0 309.433 3.169 10 5 DGBERO [NH3+]C[C@H]1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000236224143 655949324 /nfs/dbraw/zinc/94/93/24/655949324.db2.gz LVYREWTUROHQHP-MRVPVSSYSA-N 1 0 304.177 3.077 10 5 DGBERO C[C@H]1C[C@@H](N(C)Cc2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+]1C ZINC000172847812 659359807 /nfs/dbraw/zinc/35/98/07/659359807.db2.gz FSUFOJQAEKQXDY-AAEUAGOBSA-N 1 0 311.813 3.163 10 5 DGBERO CC(C)C[C@@H](C[NH+](C)C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000148499871 1176545406 /nfs/dbraw/zinc/54/54/06/1176545406.db2.gz QVUWZWUVOOVDML-NSHDSACASA-N 1 0 300.790 3.031 10 5 DGBERO Clc1ccc(Cl)c(SCC[N+]23CCN(CC2)CC3)c1 ZINC000057938679 717130905 /nfs/dbraw/zinc/13/09/05/717130905.db2.gz ZRDAPXJVHAGCAJ-UHFFFAOYSA-N 1 0 318.293 3.232 10 5 DGBERO O=[N+]([O-])c1cccc(CN2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000107697152 432037150 /nfs/dbraw/zinc/03/71/50/432037150.db2.gz CMCVMAKKNYLGGZ-QGZVFWFLSA-N 1 0 303.406 3.045 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000188281393 200221615 /nfs/dbraw/zinc/22/16/15/200221615.db2.gz WFOAVNZIGACFBH-QGZVFWFLSA-N 1 0 304.390 3.294 10 5 DGBERO C[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CCCC1 ZINC000189450964 200403193 /nfs/dbraw/zinc/40/31/93/200403193.db2.gz PKYWAYXUPWIJJO-NSHDSACASA-N 1 0 323.368 3.231 10 5 DGBERO CC1(C)CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000171067128 432100123 /nfs/dbraw/zinc/10/01/23/432100123.db2.gz GBLPSPDWVZNGFM-UHFFFAOYSA-N 1 0 302.334 3.019 10 5 DGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000246278923 432115554 /nfs/dbraw/zinc/11/55/54/432115554.db2.gz UBEBNUSDLHJSBW-SUMWQHHRSA-N 1 0 313.357 3.204 10 5 DGBERO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000470955784 244199503 /nfs/dbraw/zinc/19/95/03/244199503.db2.gz OOYBXVWOCHPONP-MFKMUULPSA-N 1 0 318.295 3.246 10 5 DGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H]([NH3+])c1cncc(Br)c1 ZINC000040177386 183044032 /nfs/dbraw/zinc/04/40/32/183044032.db2.gz GMESYKIKSYSPNX-ZDUSSCGKSA-N 1 0 322.162 3.109 10 5 DGBERO O=[N+]([O-])c1ncccc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000609132396 400142749 /nfs/dbraw/zinc/14/27/49/400142749.db2.gz ORAMFOJNJINZFA-HNNXBMFYSA-N 1 0 318.421 3.082 10 5 DGBERO Cc1cc(NCCCC2CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000609894330 400200520 /nfs/dbraw/zinc/20/05/20/400200520.db2.gz OIFAEEOJSRLTAJ-UHFFFAOYSA-N 1 0 312.373 3.384 10 5 DGBERO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C ZINC000074317708 400504194 /nfs/dbraw/zinc/50/41/94/400504194.db2.gz FYMIASFHESGCSI-SECBINFHSA-N 1 0 313.785 3.211 10 5 DGBERO O=[N+]([O-])c1cnc2c(c1)CN(Cc1ccc3c(c1)CCC3)CC2 ZINC000612468211 400549267 /nfs/dbraw/zinc/54/92/67/400549267.db2.gz UXWDSEHSDUODPL-UHFFFAOYSA-N 1 0 309.369 3.037 10 5 DGBERO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@@H]1CCc3ccccc3C1)CC2 ZINC000612469092 400550736 /nfs/dbraw/zinc/55/07/36/400550736.db2.gz KOKNUKJOJGPFJG-CQSZACIVSA-N 1 0 323.396 3.153 10 5 DGBERO CO[C@H]1CCC[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000619428486 400846252 /nfs/dbraw/zinc/84/62/52/400846252.db2.gz FABZIPNUXXPBQC-KGLIPLIRSA-N 1 0 312.797 3.338 10 5 DGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2ccnn2C)CC1 ZINC000195502465 165372424 /nfs/dbraw/zinc/37/24/24/165372424.db2.gz WMAXOQOYMBYVDB-CYBMUJFWSA-N 1 0 314.389 3.269 10 5 DGBERO O=[N+]([O-])c1cccc(F)c1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000171671583 432157946 /nfs/dbraw/zinc/15/79/46/432157946.db2.gz RZQZSPGFSSNHTQ-UHFFFAOYSA-N 1 0 321.396 3.042 10 5 DGBERO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC=C(c3ccccc3)CC2)c1 ZINC000136808608 432163992 /nfs/dbraw/zinc/16/39/92/432163992.db2.gz XCSVOJZMWHHYAH-LJQANCHMSA-N 1 0 324.380 3.418 10 5 DGBERO C[C@@H]1C[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000182213243 432167035 /nfs/dbraw/zinc/16/70/35/432167035.db2.gz KPUMSXHHYIPWPH-YPMHNXCESA-N 1 0 311.813 3.163 10 5 DGBERO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c2c(c1)COCO2 ZINC000247358949 432224882 /nfs/dbraw/zinc/22/48/82/432224882.db2.gz HEJJDICQZTZMRQ-BLLLJJGKSA-N 1 0 318.373 3.226 10 5 DGBERO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1Cc3ccccc3[C@@H]1O)CCC2 ZINC000192871209 275038402 /nfs/dbraw/zinc/03/84/02/275038402.db2.gz HSQKMYODWBHBTC-QRVBRYPASA-N 1 0 324.380 3.220 10 5 DGBERO C[C@H]1C[C@@H](N(C)Cc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123397411 431863797 /nfs/dbraw/zinc/86/37/97/431863797.db2.gz YXWUNAVUZAUUJP-FZMZJTMJSA-N 1 0 311.813 3.163 10 5 DGBERO Cc1sc(C(=O)Nc2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000047454146 431909949 /nfs/dbraw/zinc/90/99/49/431909949.db2.gz CYYZQGDUCOWSGT-UHFFFAOYSA-N 1 0 319.386 3.279 10 5 DGBERO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC1CC[NH2+]CC1 ZINC000044509185 431874207 /nfs/dbraw/zinc/87/42/07/431874207.db2.gz NOHUXMJITSKOLV-UHFFFAOYSA-N 1 0 303.284 3.025 10 5 DGBERO CC(C)C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000090538395 431892974 /nfs/dbraw/zinc/89/29/74/431892974.db2.gz DLURATSKSCLXHC-ZDUSSCGKSA-N 1 0 308.407 3.230 10 5 DGBERO Cc1noc(C2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000054678254 431973266 /nfs/dbraw/zinc/97/32/66/431973266.db2.gz MCUAYZCDCUPKSJ-LLVKDONJSA-N 1 0 316.361 3.227 10 5 DGBERO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1cscn1)C1CC1 ZINC000127287971 431968038 /nfs/dbraw/zinc/96/80/38/431968038.db2.gz SIBVTGWQLPJTPF-CQSZACIVSA-N 1 0 303.387 3.162 10 5 DGBERO Cc1c(C[NH2+][C@H]2CCCC[C@H]2n2cccn2)cccc1[N+](=O)[O-] ZINC000128349352 431992479 /nfs/dbraw/zinc/99/24/79/431992479.db2.gz CWXQCZYHCFUXGY-DOTOQJQBSA-N 1 0 314.389 3.373 10 5 DGBERO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)C1CC1 ZINC000248173178 432274920 /nfs/dbraw/zinc/27/49/20/432274920.db2.gz VDUZXAIRCXCBAF-SOLBZPMBSA-N 1 0 318.417 3.057 10 5 DGBERO CC[N@@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000183363553 432287063 /nfs/dbraw/zinc/28/70/63/432287063.db2.gz PALBVRRYWHVXEW-PBHICJAKSA-N 1 0 305.422 3.065 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1CCCc2c1cnn2C ZINC000183389520 432288936 /nfs/dbraw/zinc/28/89/36/432288936.db2.gz LLJIVLKHXMIBHF-INIZCTEOSA-N 1 0 314.389 3.146 10 5 DGBERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000183385494 432289038 /nfs/dbraw/zinc/28/90/38/432289038.db2.gz HRDIFMTZSLTKFP-QGZVFWFLSA-N 1 0 314.389 3.073 10 5 DGBERO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000128566472 431996185 /nfs/dbraw/zinc/99/61/85/431996185.db2.gz KMTCGOCQIJOOBF-ZBFHGGJFSA-N 1 0 300.362 3.065 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1CNC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000183643154 432312450 /nfs/dbraw/zinc/31/24/50/432312450.db2.gz ARENTLMMUWJXCT-UHFFFAOYSA-N 1 0 305.422 3.302 10 5 DGBERO C[C@@H]([NH2+][C@H](C)c1cccs1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000192675611 432400686 /nfs/dbraw/zinc/40/06/86/432400686.db2.gz ZSYIDOFGBQKDAF-GHMZBOCLSA-N 1 0 319.386 3.334 10 5 DGBERO C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccc(F)c1 ZINC000175152810 432404475 /nfs/dbraw/zinc/40/44/75/432404475.db2.gz XYOTUOBRPSZROO-WBMJQRKESA-N 1 0 318.352 3.014 10 5 DGBERO Cc1c(NC(=O)CC[NH2+][C@H](C)C2CCCC2)cccc1[N+](=O)[O-] ZINC000184632786 432414301 /nfs/dbraw/zinc/41/43/01/432414301.db2.gz AGAGFQXXCKNWRI-CYBMUJFWSA-N 1 0 319.405 3.400 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)C1CCCC1 ZINC000184631238 432414426 /nfs/dbraw/zinc/41/44/26/432414426.db2.gz AVGCIHQHTKNMSG-GFCCVEGCSA-N 1 0 305.378 3.010 10 5 DGBERO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000262307122 432481386 /nfs/dbraw/zinc/48/13/86/432481386.db2.gz PHPOHDZSJAUNGP-CYBMUJFWSA-N 1 0 303.406 3.120 10 5 DGBERO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261993397 432467687 /nfs/dbraw/zinc/46/76/87/432467687.db2.gz PESLXTMHTFABNM-JEBQAFNWSA-N 1 0 311.385 3.083 10 5 DGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261993395 432467794 /nfs/dbraw/zinc/46/77/94/432467794.db2.gz PESLXTMHTFABNM-DOPJRALCSA-N 1 0 311.385 3.083 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)CC[C@H]1C ZINC000245461346 432834827 /nfs/dbraw/zinc/83/48/27/432834827.db2.gz WIGXDYUHQKEJAE-TZMCWYRMSA-N 1 0 319.405 3.352 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC12CCC2 ZINC000373101282 433090519 /nfs/dbraw/zinc/09/05/19/433090519.db2.gz VURIMSOUZHZOCJ-UHFFFAOYSA-N 1 0 317.389 3.250 10 5 DGBERO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCCC34CCC4)n2)c1 ZINC000373104372 433090689 /nfs/dbraw/zinc/09/06/89/433090689.db2.gz NXVQEPJMJFJNMT-UHFFFAOYSA-N 1 0 314.345 3.163 10 5 DGBERO CC[C@@H]([NH2+]CCc1cccc(OC)n1)c1cccc([N+](=O)[O-])c1 ZINC000361928705 433455597 /nfs/dbraw/zinc/45/55/97/433455597.db2.gz XOBDXMDUFWDQPH-MRXNPFEDSA-N 1 0 315.373 3.282 10 5 DGBERO CC(=O)c1ccc2c(c1)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC000374334685 293385588 /nfs/dbraw/zinc/38/55/88/293385588.db2.gz XTUREGYZERDIPP-UHFFFAOYSA-N 1 0 324.380 3.398 10 5 DGBERO CC(=O)c1ccc(NC2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000301773199 433716098 /nfs/dbraw/zinc/71/60/98/433716098.db2.gz GPHPQMPUFIMRCY-UHFFFAOYSA-N 1 0 319.405 3.330 10 5 DGBERO Cc1ccnc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000371835032 434757957 /nfs/dbraw/zinc/75/79/57/434757957.db2.gz PKHBHZSXYONEHG-UHFFFAOYSA-N 1 0 312.373 3.073 10 5 DGBERO COc1ccc(OCC[N@H+](C)C[C@@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000544111913 314173786 /nfs/dbraw/zinc/17/37/86/314173786.db2.gz HNMFOONHIHKGMB-CQSZACIVSA-N 1 0 320.389 3.270 10 5 DGBERO Cc1c([C@H](C)[NH2+]CCN2CC=C(C)CC2)cccc1[N+](=O)[O-] ZINC000545157672 314228627 /nfs/dbraw/zinc/22/86/27/314228627.db2.gz LQBVKNJHOWSKON-HNNXBMFYSA-N 1 0 303.406 3.206 10 5 DGBERO CC1(C)CCc2ccccc2[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000183207444 323330191 /nfs/dbraw/zinc/33/01/91/323330191.db2.gz KWQXRCFISHOAKS-MRXNPFEDSA-N 1 0 314.389 3.095 10 5 DGBERO C[C@@H]1C[C@@H](C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CCO1 ZINC000583556626 324369251 /nfs/dbraw/zinc/36/92/51/324369251.db2.gz MDLFVQLIMTWPPN-HIFRSBDPSA-N 1 0 304.390 3.374 10 5 DGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC2(C1)CCOCC2 ZINC000459625329 500571627 /nfs/dbraw/zinc/57/16/27/500571627.db2.gz UTXIVXSPKLNXAU-NTEUORMPSA-N 1 0 302.374 3.111 10 5 DGBERO CCOc1cc(N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000301965451 528307792 /nfs/dbraw/zinc/30/77/92/528307792.db2.gz UUXHIBBOXDTIES-DZGCQCFKSA-N 1 0 321.421 3.160 10 5 DGBERO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)c1 ZINC000154294174 620658353 /nfs/dbraw/zinc/65/83/53/620658353.db2.gz RKMPFMWFJYPLNS-MSOLQXFVSA-N 1 0 316.401 3.451 10 5 DGBERO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)c1 ZINC000154294275 620658369 /nfs/dbraw/zinc/65/83/69/620658369.db2.gz RKMPFMWFJYPLNS-ROUUACIJSA-N 1 0 316.401 3.451 10 5 DGBERO Cc1cc([C@@H]([NH3+])c2cncc(Br)c2)cc([N+](=O)[O-])c1 ZINC000095620332 185382726 /nfs/dbraw/zinc/38/27/26/185382726.db2.gz MKUJSHDDJWLAKW-CYBMUJFWSA-N 1 0 322.162 3.109 10 5 DGBERO Cc1cc(N[C@H](C)CCC[NH3+])c(Br)cc1[N+](=O)[O-] ZINC000310795253 231114593 /nfs/dbraw/zinc/11/45/93/231114593.db2.gz CCMLSMVSEFEQLZ-SECBINFHSA-N 1 0 316.199 3.205 10 5 DGBERO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@@H]1CC=CCC1 ZINC000444681259 530022832 /nfs/dbraw/zinc/02/28/32/530022832.db2.gz TUBPQFZTAMNWJD-GFCCVEGCSA-N 1 0 300.362 3.259 10 5 DGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)CC[C@@H]1C ZINC000072897253 191249740 /nfs/dbraw/zinc/24/97/40/191249740.db2.gz NEZNZFMAZVEVLP-JSGCOSHPSA-N 1 0 319.405 3.352 10 5 DGBERO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC([NH+]2CCCC2)CC1 ZINC000067457246 432031487 /nfs/dbraw/zinc/03/14/87/432031487.db2.gz WOXVENCIWASCNP-CQSZACIVSA-N 1 0 303.406 3.216 10 5 DGBERO C[N@@H+]1CC[C@@]2(OC(=O)c3ccc([N+](=O)[O-])cc3)CCCC[C@@H]2C1 ZINC000004342883 181100522 /nfs/dbraw/zinc/10/05/22/181100522.db2.gz KCSJHKGWIDSOMK-PBHICJAKSA-N 1 0 318.373 3.016 10 5 DGBERO CC(C)Cn1ccnc1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000164838152 432051946 /nfs/dbraw/zinc/05/19/46/432051946.db2.gz MQFNOMSLWGRUDB-CYBMUJFWSA-N 1 0 302.378 3.298 10 5 DGBERO CC[C@@H](NC(=O)CCCCCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000236887595 202053914 /nfs/dbraw/zinc/05/39/14/202053914.db2.gz QMUPGIYXNWPRHO-OAHLLOKOSA-N 1 0 307.394 3.071 10 5 DGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186844520 200020886 /nfs/dbraw/zinc/02/08/86/200020886.db2.gz XBNHCOIHGJJJHF-CYBMUJFWSA-N 1 0 322.430 3.254 10 5 DGBERO O=[N+]([O-])c1ccc(N2CCC(CCC[NH+]3CCCC3)CC2)cn1 ZINC000443905969 239238072 /nfs/dbraw/zinc/23/80/72/239238072.db2.gz QFQGVBYSBYOTMK-UHFFFAOYSA-N 1 0 318.421 3.082 10 5 DGBERO O=[N+]([O-])c1cnc(NCc2ccc(C[NH+]3CCCC3)cc2)s1 ZINC000195506597 201397328 /nfs/dbraw/zinc/39/73/28/201397328.db2.gz RCHDBYKEPOMUKJ-UHFFFAOYSA-N 1 0 318.402 3.259 10 5 DGBERO COc1ccc(OCC[N@@H+]2CCCC23CCC3)c([N+](=O)[O-])c1 ZINC000444783696 239354802 /nfs/dbraw/zinc/35/48/02/239354802.db2.gz SYYFGPOOWAXFLY-UHFFFAOYSA-N 1 0 306.362 3.001 10 5 DGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(CF)CCOCC1 ZINC000449488561 240241242 /nfs/dbraw/zinc/24/12/42/240241242.db2.gz IKAJYEKNTDVZHD-NTEUORMPSA-N 1 0 322.380 3.354 10 5 DGBERO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000470942583 244195783 /nfs/dbraw/zinc/19/57/83/244195783.db2.gz CRYJEJYHQFVUMX-GWCFXTLKSA-N 1 0 318.295 3.246 10 5 DGBERO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000470955785 244198779 /nfs/dbraw/zinc/19/87/79/244198779.db2.gz OOYBXVWOCHPONP-ZWNOBZJWSA-N 1 0 318.295 3.246 10 5 DGBERO O=[N+]([O-])c1c(Nc2cc[nH+]cc2)ncnc1Oc1ccccc1 ZINC000040586444 183105739 /nfs/dbraw/zinc/10/57/39/183105739.db2.gz BTMSNMQGMVNQSI-UHFFFAOYSA-N 1 0 309.285 3.316 10 5 DGBERO O=[N+]([O-])c1ccc(C[N@H+](C[C@H]2CCCO2)[C@H]2CCSC2)cc1 ZINC000245916391 285112093 /nfs/dbraw/zinc/11/20/93/285112093.db2.gz RXPPQZKSTOLVQV-JKSUJKDBSA-N 1 0 322.430 3.081 10 5 DGBERO CC[N@H+](CCc1nccs1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000159170327 197333234 /nfs/dbraw/zinc/33/32/34/197333234.db2.gz QYYAXBGNJHGUHR-UHFFFAOYSA-N 1 0 321.402 3.125 10 5 DGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000470181809 533406309 /nfs/dbraw/zinc/40/63/09/533406309.db2.gz HDHZTLGEYDYRCA-SDIQTFFVSA-N 1 0 317.433 3.413 10 5 DGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000470173584 533407201 /nfs/dbraw/zinc/40/72/01/533407201.db2.gz CYYADEYOGJCEKM-MDNBWPLSSA-N 1 0 315.417 3.167 10 5 DGBERO COc1cccc(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000178645340 533466949 /nfs/dbraw/zinc/46/69/49/533466949.db2.gz HXXHIUPESNNDQY-CYBMUJFWSA-N 1 0 300.358 3.497 10 5 DGBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](C)c1ccncc1 ZINC000610517775 400269326 /nfs/dbraw/zinc/26/93/26/400269326.db2.gz QUPFUKOCKUCAFZ-CYBMUJFWSA-N 1 0 315.373 3.282 10 5 DGBERO CC(C)(CO)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000611521002 400415744 /nfs/dbraw/zinc/41/57/44/400415744.db2.gz RMETUSXCBXQIDL-QGZVFWFLSA-N 1 0 314.385 3.292 10 5 DGBERO C[C@@H]1C[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000182213206 432167146 /nfs/dbraw/zinc/16/71/46/432167146.db2.gz KPUMSXHHYIPWPH-DGCLKSJQSA-N 1 0 311.813 3.163 10 5 DGBERO C[C@@H]([NH2+]CC(=O)Nc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000137426463 432176801 /nfs/dbraw/zinc/17/68/01/432176801.db2.gz IJBYWYHGFWRYRZ-LLVKDONJSA-N 1 0 317.320 3.023 10 5 DGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150836486 432194551 /nfs/dbraw/zinc/19/45/51/432194551.db2.gz NELZBYLQLQKFTR-LSDHHAIUSA-N 1 0 303.406 3.074 10 5 DGBERO C[C@H]1CC[C@H](C)[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000072897665 263523517 /nfs/dbraw/zinc/52/35/17/263523517.db2.gz XIAASLOYXKCVSU-RYUDHWBXSA-N 1 0 316.361 3.265 10 5 DGBERO C[C@@H]([NH2+][C@H](C)C1CCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000172169410 274260086 /nfs/dbraw/zinc/26/00/86/274260086.db2.gz WRTYCKDIIKGEDM-VXGBXAGGSA-N 1 0 305.378 3.090 10 5 DGBERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000120042811 276117018 /nfs/dbraw/zinc/11/70/18/276117018.db2.gz LNWWEXFQEZHGHQ-CYBMUJFWSA-N 1 0 322.409 3.063 10 5 DGBERO CC(C)c1ccc(CN2CC[C@H]([NH3+])C(C)(C)C2)cc1[N+](=O)[O-] ZINC000261669393 278036449 /nfs/dbraw/zinc/03/64/49/278036449.db2.gz IWXBIZQISMJTCH-INIZCTEOSA-N 1 0 305.422 3.277 10 5 DGBERO Cc1c(C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)cccc1[N+](=O)[O-] ZINC000128349129 278596526 /nfs/dbraw/zinc/59/65/26/278596526.db2.gz CWXQCZYHCFUXGY-NVXWUHKLSA-N 1 0 314.389 3.373 10 5 DGBERO CC[NH+](CC)[C@@H](C)CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000112074171 431246824 /nfs/dbraw/zinc/24/68/24/431246824.db2.gz HMTWZNIBHSFZCL-LBPRGKRZSA-N 1 0 302.378 3.285 10 5 DGBERO C[C@@H]1CC[C@@H](C)[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000076149900 431531077 /nfs/dbraw/zinc/53/10/77/431531077.db2.gz ROHCFTSXYNVCFH-VXGBXAGGSA-N 1 0 316.361 3.265 10 5 DGBERO CC[NH+](CC)C[C@H]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000076003538 431514352 /nfs/dbraw/zinc/51/43/52/431514352.db2.gz VOUJNAVICRUVEO-LSDHHAIUSA-N 1 0 305.422 3.320 10 5 DGBERO COc1ccc([C@@H](CNc2ccccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000025777834 431665862 /nfs/dbraw/zinc/66/58/62/431665862.db2.gz DICASZDMFDONOQ-QGZVFWFLSA-N 1 0 315.373 3.318 10 5 DGBERO Cc1cccc([N+](=O)[O-])c1N1CCC(C[NH+]2CCCC2)CC1 ZINC000301377074 281258319 /nfs/dbraw/zinc/25/83/19/281258319.db2.gz RVMQDNXDXZZDPA-UHFFFAOYSA-N 1 0 303.406 3.215 10 5 DGBERO C[C@@H]([NH2+][C@@H](C)c1cccs1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000192678958 432400503 /nfs/dbraw/zinc/40/05/03/432400503.db2.gz QJCPVQNJTRPKIV-WDEREUQCSA-N 1 0 319.386 3.334 10 5 DGBERO CC[N@@H+]1CCC[C@@H]1CN(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000254970077 432405957 /nfs/dbraw/zinc/40/59/57/432405957.db2.gz LBEIPCIPWKNQPM-CXOKCQFOSA-N 1 0 303.406 3.024 10 5 DGBERO CC[N@@H+]1CCC[C@H]1CN(C)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000175167961 432406532 /nfs/dbraw/zinc/40/65/32/432406532.db2.gz CIZFFFLUOBVBDO-ZDUSSCGKSA-N 1 0 314.389 3.064 10 5 DGBERO C[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCC1 ZINC000184650932 432415862 /nfs/dbraw/zinc/41/58/62/432415862.db2.gz NHGCKEGYHKBWCR-NSHDSACASA-N 1 0 316.361 3.313 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1cccs1 ZINC000192870364 432424183 /nfs/dbraw/zinc/42/41/83/432424183.db2.gz XTUBZZFDSGTMJS-NSHDSACASA-N 1 0 319.386 3.254 10 5 DGBERO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000154318937 432490995 /nfs/dbraw/zinc/49/09/95/432490995.db2.gz CZRUQDLOMYHWFR-CABCVRRESA-N 1 0 302.330 3.058 10 5 DGBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000187851174 432689490 /nfs/dbraw/zinc/68/94/90/432689490.db2.gz NWCWWEJYFSTTQB-HIFRSBDPSA-N 1 0 306.406 3.463 10 5 DGBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000187851230 432689879 /nfs/dbraw/zinc/68/98/79/432689879.db2.gz NWCWWEJYFSTTQB-UKRRQHHQSA-N 1 0 306.406 3.463 10 5 DGBERO CC[C@@H]([NH2+][C@H](C)C(=O)NCCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000178675000 432765087 /nfs/dbraw/zinc/76/50/87/432765087.db2.gz WKZXGDNSDUPOOW-CZUORRHYSA-N 1 0 321.421 3.186 10 5 DGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)CC[C@H]1C ZINC000245448811 432832592 /nfs/dbraw/zinc/83/25/92/432832592.db2.gz NEZNZFMAZVEVLP-GXTWGEPZSA-N 1 0 319.405 3.352 10 5 DGBERO CC[N@@H+]1CCc2c(cccc2Nc2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000301679207 433672996 /nfs/dbraw/zinc/67/29/96/433672996.db2.gz DYIHVDWPOHOVEA-UHFFFAOYSA-N 1 0 312.373 3.420 10 5 DGBERO Cc1c([C@@H](C)[NH2+][C@@H](CO)CC2CCCC2)cccc1[N+](=O)[O-] ZINC000511020537 294399095 /nfs/dbraw/zinc/39/90/95/294399095.db2.gz WGTKZISRUIFXEF-UKRRQHHQSA-N 1 0 306.406 3.495 10 5 DGBERO CCCC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1F ZINC000357963826 434265916 /nfs/dbraw/zinc/26/59/16/434265916.db2.gz REKQFWHNQQTRDH-UHFFFAOYSA-N 1 0 320.368 3.233 10 5 DGBERO CC(=O)c1cc(NCC[N@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000286303284 434224934 /nfs/dbraw/zinc/22/49/34/434224934.db2.gz YNHAMJKJUYHOFN-LBPRGKRZSA-N 1 0 305.378 3.084 10 5 DGBERO [NH3+]CC[C@@H](Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(F)F ZINC000394814846 434407706 /nfs/dbraw/zinc/40/77/06/434407706.db2.gz QPDLYJCHGFRRKM-MRVPVSSYSA-N 1 0 314.119 3.296 10 5 DGBERO CCOc1cc(C[NH2+]C2(CCO)CCCCC2)ccc1[N+](=O)[O-] ZINC000492536670 435007039 /nfs/dbraw/zinc/00/70/39/435007039.db2.gz NIXJTGGSZNFONO-UHFFFAOYSA-N 1 0 322.405 3.168 10 5 DGBERO Cc1cc(NCCOCC2CCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000564789438 315199975 /nfs/dbraw/zinc/19/99/75/315199975.db2.gz CXKANKOARKKDRD-UHFFFAOYSA-N 1 0 315.373 3.102 10 5 DGBERO CCO[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C12CCCC2 ZINC000583030558 324305164 /nfs/dbraw/zinc/30/51/64/324305164.db2.gz QRMYEBLAWISQRU-STQMWFEESA-N 1 0 310.419 3.484 10 5 DGBERO C[C@H]1C[C@H](C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CCO1 ZINC000583556625 324369302 /nfs/dbraw/zinc/36/93/02/324369302.db2.gz MDLFVQLIMTWPPN-DZGCQCFKSA-N 1 0 304.390 3.374 10 5 DGBERO [NH3+]CCCc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000584651362 337380882 /nfs/dbraw/zinc/38/08/82/337380882.db2.gz GBMRDNKPRUNRKX-UHFFFAOYSA-N 1 0 314.345 3.130 10 5 DGBERO CC(C)(C)[C@@H](O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543471 535058950 /nfs/dbraw/zinc/05/89/50/535058950.db2.gz BWSSDQXSQIUCIO-ZBFHGGJFSA-N 1 0 306.406 3.181 10 5 DGBERO CC[N@H+](C)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000302790458 546438689 /nfs/dbraw/zinc/43/86/89/546438689.db2.gz YFABBPQDGRMKHY-LLVKDONJSA-N 1 0 317.311 3.144 10 5 DGBERO CC[C@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC[C@H]1[NH3+] ZINC000300265058 617642329 /nfs/dbraw/zinc/64/23/29/617642329.db2.gz DXDCCAUIOLDSLJ-QPUJVOFHSA-N 1 0 318.204 3.465 10 5 DGBERO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(C(C)(C)C)cc1 ZINC000130985103 625927118 /nfs/dbraw/zinc/92/71/18/625927118.db2.gz ZTMXLVZTUFAIKR-ZDUSSCGKSA-N 1 0 316.405 3.440 10 5 DGBERO [NH3+][C@@H]1CC[C@@H]2CN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)C[C@H]12 ZINC000312656347 656169942 /nfs/dbraw/zinc/16/99/42/656169942.db2.gz GOVPIJACQCJKHW-VFWDIBGWSA-N 1 0 316.188 3.075 10 5 DGBERO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000248025915 662332265 /nfs/dbraw/zinc/33/22/65/662332265.db2.gz PAZSJIOIOWOFJF-XJKSGUPXSA-N 1 0 324.808 3.375 10 5 DGBERO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000309678650 1199708918 /nfs/dbraw/zinc/70/89/18/1199708918.db2.gz YGEVBFNFUBGXEI-OAHLLOKOSA-N 1 0 311.385 3.306 10 5 DGBERO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C[C@H]1C ZINC000235668950 1202604665 /nfs/dbraw/zinc/60/46/65/1202604665.db2.gz LNJPIDLSQPAACH-AOOOYVTPSA-N 1 0 313.195 3.445 10 5 DGBERO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@@H+]2Cc2ccccc2)c(F)c1 ZINC000715648402 1090669686 /nfs/dbraw/zinc/66/96/86/1090669686.db2.gz MOYMORRTXIHLNR-OAHLLOKOSA-N 1 0 315.348 3.420 10 5 DGBERO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)C2CCCC2)cccc1[N+](=O)[O-] ZINC000172169681 198051545 /nfs/dbraw/zinc/05/15/45/198051545.db2.gz OBFOUXORBYEJJQ-QWHCGFSZSA-N 1 0 319.405 3.399 10 5 DGBERO C[C@H]1CC[C@H](C)[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000174475312 198339524 /nfs/dbraw/zinc/33/95/24/198339524.db2.gz YQWSRZAAPDRBCY-RYUDHWBXSA-N 1 0 306.362 3.082 10 5 DGBERO CN(C)[C@H](C[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccco1 ZINC000237014124 202121361 /nfs/dbraw/zinc/12/13/61/202121361.db2.gz SBXNLXXTACOBNQ-CQSZACIVSA-N 1 0 323.780 3.234 10 5 DGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246198194 432105921 /nfs/dbraw/zinc/10/59/21/432105921.db2.gz NELZBYLQLQKFTR-GJZGRUSLSA-N 1 0 303.406 3.074 10 5 DGBERO CC(C)[N@@H+]1CC[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000264944204 204290692 /nfs/dbraw/zinc/29/06/92/204290692.db2.gz SVFHILOJBOGVGM-GFCCVEGCSA-N 1 0 300.362 3.038 10 5 DGBERO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CSCCS2)ccc1Cl ZINC000125224727 285086871 /nfs/dbraw/zinc/08/68/71/285086871.db2.gz HYDUKBRRSXLCNG-JTQLQIEISA-N 1 0 318.851 3.186 10 5 DGBERO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCCC[C@H]2n2cccn2)cc1 ZINC000127846138 195914619 /nfs/dbraw/zinc/91/46/19/195914619.db2.gz HMDFHTWVANPLQS-DLBZAZTESA-N 1 0 314.389 3.107 10 5 DGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CCCC[C@@H]1C ZINC000468637538 533409003 /nfs/dbraw/zinc/40/90/03/533409003.db2.gz JJZGEDSFZHBPNF-STTHAQSSSA-N 1 0 317.433 3.462 10 5 DGBERO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)CCC2 ZINC000588232846 400204106 /nfs/dbraw/zinc/20/41/06/400204106.db2.gz XBVNCAGUPKUBAS-BRWVUGGUSA-N 1 0 304.390 3.255 10 5 DGBERO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C ZINC000114196203 400384988 /nfs/dbraw/zinc/38/49/88/400384988.db2.gz FYCOQYMEXCFSJG-SECBINFHSA-N 1 0 313.785 3.211 10 5 DGBERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000170865681 400777952 /nfs/dbraw/zinc/77/79/52/400777952.db2.gz FQCZSTXZYOBPKM-OAHLLOKOSA-N 1 0 319.408 3.164 10 5 DGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1CCC(O)CC1 ZINC000594990809 401220316 /nfs/dbraw/zinc/22/03/16/401220316.db2.gz AMGYFZWKTVFACB-LCYFTJDESA-N 1 0 304.390 3.139 10 5 DGBERO CC[C@H]([NH2+][C@@H](C)C(=O)NCCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090068551 401253007 /nfs/dbraw/zinc/25/30/07/401253007.db2.gz WKZXGDNSDUPOOW-BBRMVZONSA-N 1 0 321.421 3.186 10 5 DGBERO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000187766509 165103130 /nfs/dbraw/zinc/10/31/30/165103130.db2.gz DVLNNWCESYOASQ-GDBMZVCRSA-N 1 0 318.352 3.204 10 5 DGBERO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000136817028 432163266 /nfs/dbraw/zinc/16/32/66/432163266.db2.gz PGOAYXXHARDLRY-MGPLVRAMSA-N 1 0 322.311 3.257 10 5 DGBERO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c2c(c1)COCO2 ZINC000247358964 432224609 /nfs/dbraw/zinc/22/46/09/432224609.db2.gz HEJJDICQZTZMRQ-MLGOLLRUSA-N 1 0 318.373 3.226 10 5 DGBERO O=[N+]([O-])c1ccc(Cl)cc1N1CCC([NH2+]CC2CC2)CC1 ZINC000123123182 275035566 /nfs/dbraw/zinc/03/55/66/275035566.db2.gz WZKSJYNQPZDTBA-UHFFFAOYSA-N 1 0 309.797 3.217 10 5 DGBERO CC[NH+](CC)CC1CCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000446893833 276095604 /nfs/dbraw/zinc/09/56/04/276095604.db2.gz ISHYAFYFLNZCDP-UHFFFAOYSA-N 1 0 305.422 3.461 10 5 DGBERO COc1cccc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1[N+](=O)[O-] ZINC000249287555 278016806 /nfs/dbraw/zinc/01/68/06/278016806.db2.gz JBLWGBXSWNZDTJ-KGLIPLIRSA-N 1 0 319.405 3.055 10 5 DGBERO C[C@@H]1CC[C@H](C)[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000076149898 431530829 /nfs/dbraw/zinc/53/08/29/431530829.db2.gz ROHCFTSXYNVCFH-NEPJUHHUSA-N 1 0 316.361 3.265 10 5 DGBERO O=[N+]([O-])c1ccc(N2CCC[C@H]([NH+]3CCCCCC3)C2)cc1 ZINC000301997510 280366434 /nfs/dbraw/zinc/36/64/34/280366434.db2.gz UJYDNFXNJQRCLE-KRWDZBQOSA-N 1 0 303.406 3.440 10 5 DGBERO Cc1cnn([C@@H]2CCC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000123009649 431851904 /nfs/dbraw/zinc/85/19/04/431851904.db2.gz VJRXAYVIRFNYEH-MRXNPFEDSA-N 1 0 314.389 3.245 10 5 DGBERO CC[C@H]([NH2+][C@H](C)CC(=O)N(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000090918446 431898131 /nfs/dbraw/zinc/89/81/31/431898131.db2.gz CDERMUJSMAMJEX-CJNGLKHVSA-N 1 0 321.421 3.283 10 5 DGBERO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1cscn1)C1CC1 ZINC000127287752 431968157 /nfs/dbraw/zinc/96/81/57/431968157.db2.gz SIBVTGWQLPJTPF-AWEZNQCLSA-N 1 0 303.387 3.162 10 5 DGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000248170121 432274355 /nfs/dbraw/zinc/27/43/55/432274355.db2.gz UPDIYJGJABLBEB-UNEWFSDZSA-N 1 0 304.390 3.283 10 5 DGBERO C[C@H]([NH2+][C@@H](C)c1cccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000192678787 432400568 /nfs/dbraw/zinc/40/05/68/432400568.db2.gz WEPKCJBLQKSLQO-QWRGUYRKSA-N 1 0 319.386 3.334 10 5 DGBERO CC[C@@H]([NH2+]CCO[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000193091725 432447023 /nfs/dbraw/zinc/44/70/23/432447023.db2.gz MGLWXILUYGGEFA-HZPDHXFCSA-N 1 0 308.378 3.179 10 5 DGBERO COc1cc(NC2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])cc1F ZINC000176926913 432565474 /nfs/dbraw/zinc/56/54/74/432565474.db2.gz CJUSRMSANMHNEQ-UHFFFAOYSA-N 1 0 323.368 3.029 10 5 DGBERO C[C@H](C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000227304025 432711990 /nfs/dbraw/zinc/71/19/90/432711990.db2.gz BNJOBSRYZZDCDW-NEPJUHHUSA-N 1 0 323.393 3.159 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)CC[C@H]1C ZINC000245461345 432834259 /nfs/dbraw/zinc/83/42/59/432834259.db2.gz WIGXDYUHQKEJAE-GXTWGEPZSA-N 1 0 319.405 3.352 10 5 DGBERO CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000245508075 432838047 /nfs/dbraw/zinc/83/80/47/432838047.db2.gz REKUIEQDECPCMT-YWPYICTPSA-N 1 0 308.378 3.212 10 5 DGBERO O=C(C[N@@H+]1CCC[C@H]2CCCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000245965435 432873396 /nfs/dbraw/zinc/87/33/96/432873396.db2.gz YXRYJSJXYABHKA-UKRRQHHQSA-N 1 0 317.389 3.188 10 5 DGBERO C[NH+](C)Cc1cc(CNc2ccccc2[N+](=O)[O-])ccc1F ZINC000301309248 433500743 /nfs/dbraw/zinc/50/07/43/433500743.db2.gz XIMPIXMQSGMZQD-UHFFFAOYSA-N 1 0 303.337 3.408 10 5 DGBERO COc1cc(NCCC[NH+]2CCCCC2)c([N+](=O)[O-])cc1F ZINC000301615025 433638661 /nfs/dbraw/zinc/63/86/61/433638661.db2.gz IQGXRTWUKCIGPP-UHFFFAOYSA-N 1 0 311.357 3.030 10 5 DGBERO CO[C@@H]1CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC[C@@H]1C ZINC000302554813 433823984 /nfs/dbraw/zinc/82/39/84/433823984.db2.gz KYAMPRRVWOCWSG-APPDUMDISA-N 1 0 315.373 3.313 10 5 DGBERO C[NH+](C)[C@H](CNc1cc(F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000302870927 433888408 /nfs/dbraw/zinc/88/84/08/433888408.db2.gz YVBCYHKQFLYBSC-MRXNPFEDSA-N 1 0 303.337 3.449 10 5 DGBERO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H](CO)CC1CCCC1 ZINC000509453568 294352621 /nfs/dbraw/zinc/35/26/21/294352621.db2.gz ZJRKIDYAYPGSHB-GEZBDVBVSA-N 1 0 304.390 3.139 10 5 DGBERO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])nc2)C[N@@H+]1Cc1ccccc1 ZINC000398001422 434451247 /nfs/dbraw/zinc/45/12/47/434451247.db2.gz WLPJQIABSYNJLH-BBRMVZONSA-N 1 0 312.373 3.065 10 5 DGBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCOCC1CCC1 ZINC000574096473 434949159 /nfs/dbraw/zinc/94/91/59/434949159.db2.gz NZWLHHSHOSFUDM-CQSZACIVSA-N 1 0 306.406 3.322 10 5 DGBERO C[C@H]([NH2+][C@H](CC(N)=O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000182014117 323279412 /nfs/dbraw/zinc/27/94/12/323279412.db2.gz CHLMUYLDOUGAAO-BLLLJJGKSA-N 1 0 319.405 3.070 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1CN1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000183312518 323333356 /nfs/dbraw/zinc/33/33/56/323333356.db2.gz UFFCDNQPJGPRDO-GOSISDBHSA-N 1 0 317.433 3.354 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@](C)(CO)C1CCCCC1 ZINC000183480890 323340190 /nfs/dbraw/zinc/34/01/90/323340190.db2.gz LQRQBPOELXYHNC-QGZVFWFLSA-N 1 0 306.406 3.324 10 5 DGBERO CC[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000185097061 323381563 /nfs/dbraw/zinc/38/15/63/323381563.db2.gz CTSIPTDLBVYSJO-ZDUSSCGKSA-N 1 0 307.375 3.171 10 5 DGBERO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC[C@@H]1CCSC1 ZINC000704919984 660826124 /nfs/dbraw/zinc/82/61/24/660826124.db2.gz WRVATGOCEUBETC-SNVBAGLBSA-N 1 0 300.811 3.481 10 5 DGBERO Cc1cc([C@H]([NH3+])c2cncc(Br)c2)cc([N+](=O)[O-])c1 ZINC000095620331 185382769 /nfs/dbraw/zinc/38/27/69/185382769.db2.gz MKUJSHDDJWLAKW-ZDUSSCGKSA-N 1 0 322.162 3.109 10 5 DGBERO C[C@H]1[C@H](Nc2ccncc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000309883241 231106930 /nfs/dbraw/zinc/10/69/30/231106930.db2.gz KGDBLVORHUVZRX-DZGCQCFKSA-N 1 0 312.373 3.065 10 5 DGBERO CCC[C@H]([NH2+]CCCN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000159530832 186125765 /nfs/dbraw/zinc/12/57/65/186125765.db2.gz JMTOJZSWSUQLDP-INIZCTEOSA-N 1 0 319.405 3.038 10 5 DGBERO CC[N@@H+]1CC[C@@H](N(C)Cc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000174771555 198382834 /nfs/dbraw/zinc/38/28/34/198382834.db2.gz IIJPSWOQHYXWQY-CZUORRHYSA-N 1 0 305.422 3.065 10 5 DGBERO C[C@H]([NH2+]C[C@H](O)c1cc(F)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000180444660 199160065 /nfs/dbraw/zinc/16/00/65/199160065.db2.gz KSPNQNHAMUJVEV-QFYYESIMSA-N 1 0 322.311 3.257 10 5 DGBERO O=[N+]([O-])c1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cs1 ZINC000134880337 432087902 /nfs/dbraw/zinc/08/79/02/432087902.db2.gz CGSGRTWAFHLXHU-UKRRQHHQSA-N 1 0 321.446 3.105 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC[C@@](C)(O)c1ccccc1 ZINC000189823314 432094400 /nfs/dbraw/zinc/09/44/00/432094400.db2.gz OQXHJGGUVNAHAH-GOSISDBHSA-N 1 0 314.385 3.291 10 5 DGBERO Cc1nccc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000449503602 240251227 /nfs/dbraw/zinc/25/12/27/240251227.db2.gz UKFDTAIWQQABQH-HNNXBMFYSA-N 1 0 312.373 3.073 10 5 DGBERO [NH3+][C@H]1CN(Cc2ccc(Cl)cc2)c2ccc([N+](=O)[O-])cc21 ZINC000019795930 182150874 /nfs/dbraw/zinc/15/08/74/182150874.db2.gz VXFDCHDJSCBUEC-AWEZNQCLSA-N 1 0 303.749 3.268 10 5 DGBERO CC[C@@H]([NH2+][C@H](C)CCn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000158929156 197312156 /nfs/dbraw/zinc/31/21/56/197312156.db2.gz DXSQLKWHPYBHDF-CZUORRHYSA-N 1 0 302.378 3.311 10 5 DGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(CCO)CCC1 ZINC000344976781 254320517 /nfs/dbraw/zinc/32/05/17/254320517.db2.gz JNERINZFUJVYJN-GXDHUFHOSA-N 1 0 304.390 3.140 10 5 DGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000470181807 533382774 /nfs/dbraw/zinc/38/27/74/533382774.db2.gz HDHZTLGEYDYRCA-GEZHENHXSA-N 1 0 317.433 3.413 10 5 DGBERO C[C@@H]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000262422550 296564483 /nfs/dbraw/zinc/56/44/83/296564483.db2.gz FCYOFJCJLWDXLD-KOLCDFICSA-N 1 0 317.311 3.177 10 5 DGBERO CC(=O)c1ccc(Nc2cnn(-c3cc[nH+]cc3)c2)c([N+](=O)[O-])c1 ZINC000608909275 400131780 /nfs/dbraw/zinc/13/17/80/400131780.db2.gz HLUMHQAMTFSKLD-UHFFFAOYSA-N 1 0 323.312 3.122 10 5 DGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCO[C@H]1CC1(F)F ZINC000594972075 401214532 /nfs/dbraw/zinc/21/45/32/401214532.db2.gz XTVIVAHSKVSRKZ-OIOXUXFSSA-N 1 0 312.316 3.012 10 5 DGBERO Cc1c(C[NH+]2CCC(c3cc[nH]n3)CC2)cccc1[N+](=O)[O-] ZINC000195507549 165371721 /nfs/dbraw/zinc/37/17/21/165371721.db2.gz JJDHMFLQZGBWPU-UHFFFAOYSA-N 1 0 300.362 3.006 10 5 DGBERO Cc1cc(NC[C@H]([NH3+])C(C)C)c(Br)cc1[N+](=O)[O-] ZINC000232710139 165401658 /nfs/dbraw/zinc/40/16/58/165401658.db2.gz NHTRMMRBHMDUAK-JTQLQIEISA-N 1 0 316.199 3.061 10 5 DGBERO O=[N+]([O-])c1ccc2sc(OCC[C@H]3CCCC[NH2+]3)nc2c1 ZINC000095092080 431922242 /nfs/dbraw/zinc/92/22/42/431922242.db2.gz XQWDXCIVZHAZOV-SNVBAGLBSA-N 1 0 307.375 3.116 10 5 DGBERO CCC[C@H]([NH2+]CC[C@@H](C)[S@](C)=O)c1cccc([N+](=O)[O-])c1 ZINC000090469307 431892114 /nfs/dbraw/zinc/89/21/14/431892114.db2.gz CBYWVXPHEJIRPC-PYDTXJQDSA-N 1 0 312.435 3.183 10 5 DGBERO CCC[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1cccc([N+](=O)[O-])c1 ZINC000090469309 431892191 /nfs/dbraw/zinc/89/21/91/431892191.db2.gz CBYWVXPHEJIRPC-HCQWSFJTSA-N 1 0 312.435 3.183 10 5 DGBERO COc1cc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)ccc1O ZINC000183252046 432274845 /nfs/dbraw/zinc/27/48/45/432274845.db2.gz WMBOCKRKIQYWQB-UHFFFAOYSA-N 1 0 316.357 3.249 10 5 DGBERO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)c(Cl)c1 ZINC000248023414 432261194 /nfs/dbraw/zinc/26/11/94/432261194.db2.gz OERRFIXYULUQPN-XJKSGUPXSA-N 1 0 324.808 3.375 10 5 DGBERO CC[N@@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000248630577 432308191 /nfs/dbraw/zinc/30/81/91/432308191.db2.gz PALBVRRYWHVXEW-YOEHRIQHSA-N 1 0 305.422 3.065 10 5 DGBERO CC[C@@H]([NH2+][C@@H](C)C(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000178099258 432694533 /nfs/dbraw/zinc/69/45/33/432694533.db2.gz NIPFPMHCAJHTOH-BLLLJJGKSA-N 1 0 319.405 3.083 10 5 DGBERO CC[N+](C)(CC)C[C@@H](O)CO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000226072515 432703709 /nfs/dbraw/zinc/70/37/09/432703709.db2.gz VVKLZZCUENYXJG-BSDSXHPESA-N 1 0 300.507 3.311 10 5 DGBERO CC[C@@H]([NH2+]Cc1ccc(CO)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000178565368 432753260 /nfs/dbraw/zinc/75/32/60/432753260.db2.gz VZDPRHSGSXZOFM-QGZVFWFLSA-N 1 0 318.348 3.467 10 5 DGBERO CC[N@@H+]1CC[C@@H](N(C)Cc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000245422012 432829060 /nfs/dbraw/zinc/82/90/60/432829060.db2.gz IIJPSWOQHYXWQY-XJKSGUPXSA-N 1 0 305.422 3.065 10 5 DGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC12CCC2 ZINC000373093985 433092258 /nfs/dbraw/zinc/09/22/58/433092258.db2.gz DECDKEIJPYNVGY-UHFFFAOYSA-N 1 0 317.389 3.250 10 5 DGBERO COc1cc(N[C@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])cc1F ZINC000301620281 433642282 /nfs/dbraw/zinc/64/22/82/433642282.db2.gz MHVBBEQAXDITPQ-LLVKDONJSA-N 1 0 311.357 3.029 10 5 DGBERO COc1cc(N[C@@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])cc1F ZINC000301620282 433643034 /nfs/dbraw/zinc/64/30/34/433643034.db2.gz MHVBBEQAXDITPQ-NSHDSACASA-N 1 0 311.357 3.029 10 5 DGBERO CC(C)C[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000301774053 433716322 /nfs/dbraw/zinc/71/63/22/433716322.db2.gz MYRIPEXPCXVYFZ-CYBMUJFWSA-N 1 0 322.365 3.035 10 5 DGBERO Cc1nc(N[C@@H](C)C[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000301980351 433809683 /nfs/dbraw/zinc/80/96/83/433809683.db2.gz AOWHHKLNFWNOCG-ZDUSSCGKSA-N 1 0 314.389 3.231 10 5 DGBERO Cc1c([C@H](C)[NH2+][C@@H](CO)CC2CCCC2)cccc1[N+](=O)[O-] ZINC000511020535 294398773 /nfs/dbraw/zinc/39/87/73/294398773.db2.gz WGTKZISRUIFXEF-DZGCQCFKSA-N 1 0 306.406 3.495 10 5 DGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC2(C1)CCCOC2 ZINC000459613379 434632007 /nfs/dbraw/zinc/63/20/07/434632007.db2.gz WXITTWWBKKHIBT-RIYZIHGNSA-N 1 0 302.374 3.111 10 5 DGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1cnn(C)c1C ZINC000518685382 435649123 /nfs/dbraw/zinc/64/91/23/435649123.db2.gz FZLYRKDKHTUFBE-MDWZMJQESA-N 1 0 314.389 3.172 10 5 DGBERO CCC[NH+]1CCC(CNc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000577925445 316284608 /nfs/dbraw/zinc/28/46/08/316284608.db2.gz OMXYRSDFZYWVTR-UHFFFAOYSA-N 1 0 318.421 3.097 10 5 DGBERO COc1cccc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000361926104 500859923 /nfs/dbraw/zinc/85/99/23/500859923.db2.gz PWHIGHMERYSGHY-CYBMUJFWSA-N 1 0 315.373 3.200 10 5 DGBERO CC(C)[N@+]1(C)[C@@H]2CC[C@H]1C[C@@H](C(=O)[C@H](CO)c1ccccc1)C2 ZINC000263583933 527995278 /nfs/dbraw/zinc/99/52/78/527995278.db2.gz FPHNWKCKNIVGKU-HZVKZAKPSA-N 1 0 316.465 3.128 10 5 DGBERO CC1([NH3+])CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000704535745 660811769 /nfs/dbraw/zinc/81/17/69/660811769.db2.gz KWNKZEMFSJJCMV-UHFFFAOYSA-N 1 0 304.177 3.219 10 5 DGBERO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC[C@@H]1CCSC1 ZINC000704918427 660826133 /nfs/dbraw/zinc/82/61/33/660826133.db2.gz JPYMGGRCIPRQSP-SNVBAGLBSA-N 1 0 300.811 3.481 10 5 DGBERO C[C@H]([NH3+])C1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000235477177 655913696 /nfs/dbraw/zinc/91/36/96/655913696.db2.gz APTRHDBCLRWYKR-QMMMGPOBSA-N 1 0 318.204 3.465 10 5 DGBERO CC(C)[C@@](CC[N+](C)(C)C)(C(N)=O)c1cccc2ccccc21 ZINC000003635647 717096981 /nfs/dbraw/zinc/09/69/81/717096981.db2.gz MBXXSZBPQQQJSX-HXUWFJFHSA-O 1 0 313.465 3.315 10 5 DGBERO C/C=C1\C[N@@+]2(C)[C@@H]3Cc4c5ccccc5[nH]c4[C@@H]2C[C@H]1[C@H]3CO ZINC000254877868 717171137 /nfs/dbraw/zinc/17/11/37/717171137.db2.gz KRTATNOTKFNEFT-IITAPMBLSA-N 1 0 309.433 3.169 10 5 DGBERO CC[C@H]([NH2+][C@@H]1CCCN(C(C)C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000090068519 185280515 /nfs/dbraw/zinc/28/05/15/185280515.db2.gz MJOKVWQTGLQPRJ-JKSUJKDBSA-N 1 0 319.405 3.035 10 5 DGBERO CC(C)c1ccc(CN2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000091670550 193089087 /nfs/dbraw/zinc/08/90/87/193089087.db2.gz ORJWAGOITBTCNQ-UHFFFAOYSA-N 1 0 305.422 3.244 10 5 DGBERO Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000091553669 284001670 /nfs/dbraw/zinc/00/16/70/284001670.db2.gz KLLBJHJTHFOJET-GFCCVEGCSA-N 1 0 316.405 3.229 10 5 DGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CCCC[C@@H]1C ZINC000468637536 244056676 /nfs/dbraw/zinc/05/66/76/244056676.db2.gz JJZGEDSFZHBPNF-IRVMHKCDSA-N 1 0 317.433 3.462 10 5 DGBERO Cc1c([C@H](C)[NH2+][C@H]2CN(C(C)C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000246398394 432127226 /nfs/dbraw/zinc/12/72/26/432127226.db2.gz LNLBKCSAPGHWJF-INWMFGNUSA-N 1 0 305.422 3.283 10 5 DGBERO CC(C)[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000016519024 182048566 /nfs/dbraw/zinc/04/85/66/182048566.db2.gz PLOBQCCBCHTILX-VHSXEESVSA-N 1 0 313.785 3.209 10 5 DGBERO [NH3+][C@@H]1CN(Cc2cccc(Cl)c2)c2ccc([N+](=O)[O-])cc21 ZINC000019795932 182150628 /nfs/dbraw/zinc/15/06/28/182150628.db2.gz BKDYGMNBNCUCMC-CQSZACIVSA-N 1 0 303.749 3.268 10 5 DGBERO Cc1ccc([C@H](C)[NH2+][C@H]2CN(C(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000246450205 432132172 /nfs/dbraw/zinc/13/21/72/432132172.db2.gz PFJDEBPVEFPYHZ-YCPHGPKFSA-N 1 0 305.422 3.283 10 5 DGBERO CC[N@@H+]1CC[C@H](N(C)C/C=C\c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000255375624 285151182 /nfs/dbraw/zinc/15/11/82/285151182.db2.gz VJRRTZZSAQIOLF-GPXGYGPYSA-N 1 0 317.433 3.270 10 5 DGBERO C[C@H](c1ccc(Cl)cc1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000157597923 197200423 /nfs/dbraw/zinc/20/04/23/197200423.db2.gz CHWAOEJOEVMUAQ-LLVKDONJSA-N 1 0 308.769 3.138 10 5 DGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000470207512 533407557 /nfs/dbraw/zinc/40/75/57/533407557.db2.gz ORIZHGLUZBHDCG-IPYPSQIJSA-N 1 0 304.390 3.233 10 5 DGBERO COc1cccc(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000178645324 533466621 /nfs/dbraw/zinc/46/66/21/533466621.db2.gz HXXHIUPESNNDQY-ZDUSSCGKSA-N 1 0 300.358 3.497 10 5 DGBERO CC(C)CC[C@](C)(O)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000124017443 400473419 /nfs/dbraw/zinc/47/34/19/400473419.db2.gz SIDMQBSXRMEHIE-JKNJVXJCSA-N 1 0 306.406 3.385 10 5 DGBERO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H]2C[NH+]2CCCCC2)n1 ZINC000614517859 400910406 /nfs/dbraw/zinc/91/04/06/400910406.db2.gz CEAHPDCSLJCGLI-OAHLLOKOSA-N 1 0 318.421 3.061 10 5 DGBERO C[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)C(C)(C)C[NH+](C)C ZINC000085688196 401172887 /nfs/dbraw/zinc/17/28/87/401172887.db2.gz VNFOTDZUVGUNSE-SECBINFHSA-N 1 0 300.790 3.031 10 5 DGBERO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000187766466 165103931 /nfs/dbraw/zinc/10/39/31/165103931.db2.gz DVLNNWCESYOASQ-GOEBONIOSA-N 1 0 318.352 3.204 10 5 DGBERO COc1ccc(OCC[NH2+][C@@H](C)c2cccs2)c([N+](=O)[O-])c1 ZINC000182546180 432203246 /nfs/dbraw/zinc/20/32/46/432203246.db2.gz JKZLGYUQCUOYLS-NSHDSACASA-N 1 0 322.386 3.395 10 5 DGBERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)CC2CCCC2)cc1[N+](=O)[O-] ZINC000191062704 432215333 /nfs/dbraw/zinc/21/53/33/432215333.db2.gz RFDLBQQXBCYRSP-CJNGLKHVSA-N 1 0 306.406 3.495 10 5 DGBERO C[C@H]([NH2+]Cc1cccnc1-n1ccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000151532040 432253636 /nfs/dbraw/zinc/25/36/36/432253636.db2.gz IVWLYWMUHZAKQD-ZDUSSCGKSA-N 1 0 323.356 3.026 10 5 DGBERO C[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000151532102 432255019 /nfs/dbraw/zinc/25/50/19/432255019.db2.gz IVWLYWMUHZAKQD-CYBMUJFWSA-N 1 0 323.356 3.026 10 5 DGBERO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000246611739 275039791 /nfs/dbraw/zinc/03/97/91/275039791.db2.gz NEIIVNYPBMWVPH-GOEBONIOSA-N 1 0 316.357 3.276 10 5 DGBERO C/C=C1/C[N@@+]2(C)[C@H]3C[C@@H]1[C@@H](CO)[C@@H]2Cc1c2ccccc2[nH]c13 ZINC000255223802 276839528 /nfs/dbraw/zinc/83/95/28/276839528.db2.gz KRTATNOTKFNEFT-GXFHUVTISA-N 1 0 309.433 3.169 10 5 DGBERO C[C@@H]1C[N+]2(CCCCC2)C[C@@](O)(c2ccc3ccccc3c2)O1 ZINC000000162693 431136491 /nfs/dbraw/zinc/13/64/91/431136491.db2.gz CSBRGCIERQWWEN-UZLBHIALSA-N 1 0 312.433 3.404 10 5 DGBERO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H]2c2ccco2)c1 ZINC000116292271 431500820 /nfs/dbraw/zinc/50/08/20/431500820.db2.gz QZPKNKXOZYAEOE-HNNXBMFYSA-N 1 0 302.330 3.404 10 5 DGBERO Cc1c(NC(=O)CC[N@@H+]2CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000077382793 431591543 /nfs/dbraw/zinc/59/15/43/431591543.db2.gz CLMSAKRMJCRKHB-UHFFFAOYSA-N 1 0 305.378 3.106 10 5 DGBERO C[C@@H]1C[C@H](N(C)Cc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123396680 431863903 /nfs/dbraw/zinc/86/39/03/431863903.db2.gz YXWUNAVUZAUUJP-BXUZGUMPSA-N 1 0 311.813 3.163 10 5 DGBERO O=[N+]([O-])c1ccc(C[N@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC000123567991 431867824 /nfs/dbraw/zinc/86/78/24/431867824.db2.gz RXPPQZKSTOLVQV-HZPDHXFCSA-N 1 0 322.430 3.081 10 5 DGBERO CC(C)COC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000054341963 431970773 /nfs/dbraw/zinc/97/07/73/431970773.db2.gz DKFWDHQBAXVJKT-UHFFFAOYSA-N 1 0 322.405 3.111 10 5 DGBERO Cc1noc(C2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000054678252 431973312 /nfs/dbraw/zinc/97/33/12/431973312.db2.gz MCUAYZCDCUPKSJ-NSHDSACASA-N 1 0 316.361 3.227 10 5 DGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCC(=O)OC(C)(C)C ZINC000055058553 431975319 /nfs/dbraw/zinc/97/53/19/431975319.db2.gz QIHSUZNSXDAQJT-LBPRGKRZSA-N 1 0 308.378 3.319 10 5 DGBERO COc1ccc(C[N@H+](C)CCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000055025037 431975371 /nfs/dbraw/zinc/97/53/71/431975371.db2.gz IDODGGYNXKNBMZ-UHFFFAOYSA-N 1 0 318.348 3.417 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000183289060 432278078 /nfs/dbraw/zinc/27/80/78/432278078.db2.gz XOWWGHNRAAYJKE-CQSZACIVSA-N 1 0 300.362 3.006 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000183372706 432286892 /nfs/dbraw/zinc/28/68/92/432286892.db2.gz FSWGKHRUZLXOEC-AWEZNQCLSA-N 1 0 320.389 3.067 10 5 DGBERO CC(C)c1ccc([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176194538 432500197 /nfs/dbraw/zinc/50/01/97/432500197.db2.gz NFKIHFUVSGYOKR-ZDUSSCGKSA-N 1 0 302.378 3.266 10 5 DGBERO Cc1c([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@@H]2O)cccc1[N+](=O)[O-] ZINC000178357958 432725374 /nfs/dbraw/zinc/72/53/74/432725374.db2.gz YLFWRAYTCQLOOV-IWEFOYFVSA-N 1 0 312.369 3.212 10 5 DGBERO Cc1ccnc(NCc2ccc(F)c(C[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000265266935 432682683 /nfs/dbraw/zinc/68/26/83/432682683.db2.gz ZSJWRDSIVCLESI-UHFFFAOYSA-N 1 0 318.352 3.111 10 5 DGBERO CC[C@@H]([NH2+]Cc1cccc(OC)n1)c1cccc([N+](=O)[O-])c1 ZINC000178755281 432774674 /nfs/dbraw/zinc/77/46/74/432774674.db2.gz HNFDRRSNPPYRMR-OAHLLOKOSA-N 1 0 301.346 3.239 10 5 DGBERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000235302805 432742948 /nfs/dbraw/zinc/74/29/48/432742948.db2.gz KHUICALSJDOTBS-CPCISQLKSA-N 1 0 304.177 3.454 10 5 DGBERO CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000245508073 432837887 /nfs/dbraw/zinc/83/78/87/432837887.db2.gz REKUIEQDECPCMT-SLEUVZQESA-N 1 0 308.378 3.212 10 5 DGBERO CC(=O)c1ccc(NCC[NH+]2[C@H](C)CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000341135803 432972308 /nfs/dbraw/zinc/97/23/08/432972308.db2.gz YUVKCDFITLIAFH-CHWSQXEVSA-N 1 0 319.405 3.472 10 5 DGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000414566671 433727106 /nfs/dbraw/zinc/72/71/06/433727106.db2.gz FZFHCFIHHGLHRH-JVPVSYIYSA-N 1 0 304.390 3.139 10 5 DGBERO CC[N@H+](C)[C@@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000302837507 433881303 /nfs/dbraw/zinc/88/13/03/433881303.db2.gz XPIXOJAZQQUKKO-SECBINFHSA-N 1 0 318.204 3.432 10 5 DGBERO CC[C@@H](C)[NH2+][C@@H](CNc1ccc([N+](=O)[O-])nc1)c1ccco1 ZINC000450527629 434247256 /nfs/dbraw/zinc/24/72/56/434247256.db2.gz HYACTPQRXYVWRW-YPMHNXCESA-N 1 0 304.350 3.124 10 5 DGBERO O=[N+]([O-])c1cccc(Cl)c1C[NH2+]C1(CCO)CCCCC1 ZINC000492059664 434908500 /nfs/dbraw/zinc/90/85/00/434908500.db2.gz HJGNZSPYVTZUBC-UHFFFAOYSA-N 1 0 312.797 3.423 10 5 DGBERO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)cn1 ZINC000568559724 435446665 /nfs/dbraw/zinc/44/66/65/435446665.db2.gz OVZFYFIAUYOWLF-INIZCTEOSA-N 1 0 318.421 3.446 10 5 DGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@@H]1CC=CCC1 ZINC000542243011 314064114 /nfs/dbraw/zinc/06/41/14/314064114.db2.gz KJMQPQRTXUZUII-CQSZACIVSA-N 1 0 317.389 3.130 10 5 DGBERO CC(C)[NH2+]CCCNc1ccc([N+](=O)[O-])cc1Br ZINC000564718603 315194538 /nfs/dbraw/zinc/19/45/38/315194538.db2.gz MXZHMXKYXNXFEA-UHFFFAOYSA-N 1 0 316.199 3.157 10 5 DGBERO CCO[C@@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C12CCCC2 ZINC000583030555 324304848 /nfs/dbraw/zinc/30/48/48/324304848.db2.gz QRMYEBLAWISQRU-CHWSQXEVSA-N 1 0 310.419 3.484 10 5 DGBERO CC(C)C[N@@H+]1CCCC[C@@H]1CNc1cc(CO)ccc1[N+](=O)[O-] ZINC000302069762 527968312 /nfs/dbraw/zinc/96/83/12/527968312.db2.gz VKPPWMHKLUHLDJ-OAHLLOKOSA-N 1 0 321.421 3.010 10 5 DGBERO CCOc1cc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2CC)ccc1[N+](=O)[O-] ZINC000301968559 528314133 /nfs/dbraw/zinc/31/41/33/528314133.db2.gz YQFBLZJOIOLMLI-HIFRSBDPSA-N 1 0 319.405 3.057 10 5 DGBERO CC(C)(C)[C@@H](O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543470 535060378 /nfs/dbraw/zinc/06/03/78/535060378.db2.gz BWSSDQXSQIUCIO-HOCLYGCPSA-N 1 0 306.406 3.181 10 5 DGBERO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)c2ccccc2)ccc1Cl ZINC000096630397 660563465 /nfs/dbraw/zinc/56/34/65/660563465.db2.gz VOIHPBDXONOYTJ-AWEZNQCLSA-N 1 0 306.749 3.071 10 5 DGBERO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000177984975 655952111 /nfs/dbraw/zinc/95/21/11/655952111.db2.gz PAZSJIOIOWOFJF-CJNGLKHVSA-N 1 0 324.808 3.375 10 5 DGBERO O=[N+]([O-])c1cccc(N2CC[NH+]([C@@H]3C[C@H]3c3ccccc3)CC2)c1 ZINC000225573037 659076231 /nfs/dbraw/zinc/07/62/31/659076231.db2.gz VBYGNBSOVHSAAW-RBUKOAKNSA-N 1 0 323.396 3.273 10 5 DGBERO O=[N+]([O-])c1ccc(N2CCC([C@H]3CCC[NH2+]3)CC2)c(Cl)c1 ZINC000063201238 659371995 /nfs/dbraw/zinc/37/19/95/659371995.db2.gz JWDHXLNELFBYJJ-CQSZACIVSA-N 1 0 309.797 3.217 10 5 DGBERO