smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CC[NH+](C2CCC2)CC1 ZINC000557570362 1014158109 /nfs/dbraw/zinc/15/81/09/1014158109.db2.gz QPRUROAYKZWAFL-UHFFFAOYSA-N 1 2 330.215 3.576 20 5 EHBDLO CSCc1cnc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000339293820 1014175629 /nfs/dbraw/zinc/17/56/29/1014175629.db2.gz QNLGUXIWAIJSSP-UHFFFAOYSA-N 1 2 337.470 3.939 20 5 EHBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1nc(C(F)(F)F)cs1 ZINC000274611382 1014326078 /nfs/dbraw/zinc/32/60/78/1014326078.db2.gz NMNSOCGWXLFPRO-MRVPVSSYSA-N 1 2 331.319 3.921 20 5 EHBDLO C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000126885656 1015069051 /nfs/dbraw/zinc/06/90/51/1015069051.db2.gz IZSMFGNYLJWTIH-SCLBCKFNSA-N 1 2 330.359 3.696 20 5 EHBDLO C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000126885656 1015069063 /nfs/dbraw/zinc/06/90/63/1015069063.db2.gz IZSMFGNYLJWTIH-SCLBCKFNSA-N 1 2 330.359 3.696 20 5 EHBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000602028495 1032598159 /nfs/dbraw/zinc/59/81/59/1032598159.db2.gz CIFHNHXTRYJSTB-MRXNPFEDSA-N 1 2 330.388 3.634 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)cs1 ZINC000047265021 1018086797 /nfs/dbraw/zinc/08/67/97/1018086797.db2.gz QGEUEOZXMWCTTJ-ZDUSSCGKSA-N 1 2 338.454 3.899 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)cs1 ZINC000047265021 1018086814 /nfs/dbraw/zinc/08/68/14/1018086814.db2.gz QGEUEOZXMWCTTJ-ZDUSSCGKSA-N 1 2 338.454 3.899 20 5 EHBDLO Cc1ccc([C@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)cc1[N+](=O)[O-] ZINC000167958892 1019066767 /nfs/dbraw/zinc/06/67/67/1019066767.db2.gz LZZMVBAYGLEORF-ZFWWWQNUSA-N 1 2 343.431 3.804 20 5 EHBDLO CC(C)[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)OC(C)(C)C ZINC000537648262 1019922260 /nfs/dbraw/zinc/92/22/60/1019922260.db2.gz ZXSOHRTZDJBALE-CSKARUKUSA-N 1 2 334.416 3.660 20 5 EHBDLO CC(C)[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)OC(C)(C)C ZINC000537648262 1019922267 /nfs/dbraw/zinc/92/22/67/1019922267.db2.gz ZXSOHRTZDJBALE-CSKARUKUSA-N 1 2 334.416 3.660 20 5 EHBDLO O=[N+]([O-])c1cccc(C[NH+]2CCC(C(F)F)CC2)c1Br ZINC000307884973 1019993774 /nfs/dbraw/zinc/99/37/74/1019993774.db2.gz RAEYPYZUBWNEMP-UHFFFAOYSA-N 1 2 349.175 3.834 20 5 EHBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cccc2c1OCCO2)C1CC1 ZINC000135231961 1020918767 /nfs/dbraw/zinc/91/87/67/1020918767.db2.gz QRDADGRZEROZPC-UHFFFAOYSA-N 1 2 340.379 3.531 20 5 EHBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cccc2c1OCCO2)C1CC1 ZINC000135231961 1020918775 /nfs/dbraw/zinc/91/87/75/1020918775.db2.gz QRDADGRZEROZPC-UHFFFAOYSA-N 1 2 340.379 3.531 20 5 EHBDLO C[N@H+](Cc1cccnc1)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602589218 1032986612 /nfs/dbraw/zinc/98/66/12/1032986612.db2.gz FICIHMXYQGQFAW-UHFFFAOYSA-N 1 2 325.290 3.641 20 5 EHBDLO C[N@@H+](Cc1cccnc1)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602589218 1032986618 /nfs/dbraw/zinc/98/66/18/1032986618.db2.gz FICIHMXYQGQFAW-UHFFFAOYSA-N 1 2 325.290 3.641 20 5 EHBDLO O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCC(Nc2ccccn2)CC1 ZINC000548295520 1022138105 /nfs/dbraw/zinc/13/81/05/1022138105.db2.gz GFXFWKVSFDOIEW-UHFFFAOYSA-N 1 2 346.818 3.720 20 5 EHBDLO CCCc1ncc(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 ZINC000602682526 1033083322 /nfs/dbraw/zinc/08/33/22/1033083322.db2.gz FPIOFEMQTOTPEW-UHFFFAOYSA-N 1 2 343.305 3.844 20 5 EHBDLO O=[N+]([O-])c1ccc2oc(C[NH2+]C3(c4ccc(F)cc4)CC3)nc2c1 ZINC000610582036 1022789946 /nfs/dbraw/zinc/78/99/46/1022789946.db2.gz LAVGCSQMJYHOFQ-UHFFFAOYSA-N 1 2 327.315 3.654 20 5 EHBDLO CCn1c2ccccc2[nH+]c1NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000158889520 1033134281 /nfs/dbraw/zinc/13/42/81/1033134281.db2.gz AOOWZVJTKVZKKW-UHFFFAOYSA-N 1 2 326.356 3.585 20 5 EHBDLO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[nH]1 ZINC000277063914 1023739373 /nfs/dbraw/zinc/73/93/73/1023739373.db2.gz DKUNCSMVPZQMBA-UHTWSYAYSA-N 1 2 331.420 3.947 20 5 EHBDLO CC(C)c1ccc(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000520600162 1024211627 /nfs/dbraw/zinc/21/16/27/1024211627.db2.gz GMWQQZNNNBJHNE-OALUTQOASA-N 1 2 330.428 3.862 20 5 EHBDLO CC(C)c1ccc(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000520600162 1024211641 /nfs/dbraw/zinc/21/16/41/1024211641.db2.gz GMWQQZNNNBJHNE-OALUTQOASA-N 1 2 330.428 3.862 20 5 EHBDLO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)[nH]1 ZINC000277369112 1024780585 /nfs/dbraw/zinc/78/05/85/1024780585.db2.gz WUIJNULDJIPNAQ-CYZMBNFOSA-N 1 2 331.420 3.947 20 5 EHBDLO Cc1ccc(C[NH2+]Cc2csc(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000895832993 1024898161 /nfs/dbraw/zinc/89/81/61/1024898161.db2.gz JQUUEHLVGMECHA-UHFFFAOYSA-N 1 2 331.319 3.668 20 5 EHBDLO C[C@@H](c1nc(C(C)(C)C)no1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511093111 1025648854 /nfs/dbraw/zinc/64/88/54/1025648854.db2.gz BYPJLWAMDDLWFS-LBPRGKRZSA-N 1 2 332.404 3.511 20 5 EHBDLO C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511093111 1025648863 /nfs/dbraw/zinc/64/88/63/1025648863.db2.gz BYPJLWAMDDLWFS-LBPRGKRZSA-N 1 2 332.404 3.511 20 5 EHBDLO Cc1cc(C)c(NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC000455493302 1028224854 /nfs/dbraw/zinc/22/48/54/1028224854.db2.gz CHTFOZGUGQKJOI-LBPRGKRZSA-N 1 2 328.372 3.798 20 5 EHBDLO COc1ccc(C[N@@H+]2CCc3cc(F)cc(C)c3C2)cc1[N+](=O)[O-] ZINC000502943130 1028880899 /nfs/dbraw/zinc/88/08/99/1028880899.db2.gz BMHMOYYEQNMDKL-UHFFFAOYSA-N 1 2 330.359 3.609 20 5 EHBDLO COc1ccc(C[N@H+]2CCc3cc(F)cc(C)c3C2)cc1[N+](=O)[O-] ZINC000502943130 1028880910 /nfs/dbraw/zinc/88/09/10/1028880910.db2.gz BMHMOYYEQNMDKL-UHFFFAOYSA-N 1 2 330.359 3.609 20 5 EHBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc(F)c(F)cc2F)c(Cl)c1 ZINC000183805327 1029573971 /nfs/dbraw/zinc/57/39/71/1029573971.db2.gz VKDCOVNMFYPGRO-UHFFFAOYSA-N 1 2 330.693 3.955 20 5 EHBDLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1cccc([N+](=O)[O-])c1 ZINC000171389523 1030911100 /nfs/dbraw/zinc/91/11/00/1030911100.db2.gz XQCAXADWQGQUAI-UHFFFAOYSA-N 1 2 341.411 3.672 20 5 EHBDLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1cccc([N+](=O)[O-])c1 ZINC000171389523 1030911116 /nfs/dbraw/zinc/91/11/16/1030911116.db2.gz XQCAXADWQGQUAI-UHFFFAOYSA-N 1 2 341.411 3.672 20 5 EHBDLO COC(=O)[C@@H](C)[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C1CCC1 ZINC000483437292 1031169810 /nfs/dbraw/zinc/16/98/10/1031169810.db2.gz IGHFETDQZNGVJD-CYBMUJFWSA-N 1 2 334.416 3.634 20 5 EHBDLO COC(=O)[C@@H](C)[N@@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C1CCC1 ZINC000483437292 1031169818 /nfs/dbraw/zinc/16/98/18/1031169818.db2.gz IGHFETDQZNGVJD-CYBMUJFWSA-N 1 2 334.416 3.634 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCc2nc(C(C)C)ncc2C1 ZINC000598938198 1033581811 /nfs/dbraw/zinc/58/18/11/1033581811.db2.gz WMFXDDVRYWAVFJ-AWEZNQCLSA-N 1 2 340.427 3.936 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCc2nc(C(C)C)ncc2C1 ZINC000598938198 1033581820 /nfs/dbraw/zinc/58/18/20/1033581820.db2.gz WMFXDDVRYWAVFJ-AWEZNQCLSA-N 1 2 340.427 3.936 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](CCO)c1ccccc1F ZINC000595045425 1033662773 /nfs/dbraw/zinc/66/27/73/1033662773.db2.gz MYTAPBHFSOSKGU-YVEFUNNKSA-N 1 2 348.374 3.517 20 5 EHBDLO COc1ccc(C[N@H+](C)Cc2cc(F)c(F)c(F)c2)cc1[N+](=O)[O-] ZINC000179378095 1034267455 /nfs/dbraw/zinc/26/74/55/1034267455.db2.gz FGEWHNZNBPOWSH-UHFFFAOYSA-N 1 2 340.301 3.653 20 5 EHBDLO COc1ccc(C[N@@H+](C)Cc2cc(F)c(F)c(F)c2)cc1[N+](=O)[O-] ZINC000179378095 1034267468 /nfs/dbraw/zinc/26/74/68/1034267468.db2.gz FGEWHNZNBPOWSH-UHFFFAOYSA-N 1 2 340.301 3.653 20 5 EHBDLO CC[C@H]([NH2+][C@H](C)c1ncc(C(=O)OC)s1)c1cccc([N+](=O)[O-])c1 ZINC000414118176 1035602056 /nfs/dbraw/zinc/60/20/56/1035602056.db2.gz UOIGDTBCHLDRHK-MFKMUULPSA-N 1 2 349.412 3.640 20 5 EHBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1c(F)cccc1OC ZINC000122415941 1036105087 /nfs/dbraw/zinc/10/50/87/1036105087.db2.gz IDZJCOONNWYJAA-NSHDSACASA-N 1 2 334.347 3.602 20 5 EHBDLO O=[N+]([O-])c1cc(N2CCC(n3cc[nH+]c3)CC2)ccc1C(F)(F)F ZINC000589109665 1036254505 /nfs/dbraw/zinc/25/45/05/1036254505.db2.gz REPVADFQRLKLPY-UHFFFAOYSA-N 1 2 340.305 3.652 20 5 EHBDLO CC(C)Oc1ccc([C@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000549928317 1037641294 /nfs/dbraw/zinc/64/12/94/1037641294.db2.gz OMMLZGYXXQPDQQ-ZDUSSCGKSA-N 1 2 330.384 3.938 20 5 EHBDLO Cc1cc(C)c(NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])c(C)[nH+]1 ZINC000491291071 1037883031 /nfs/dbraw/zinc/88/30/31/1037883031.db2.gz LHQDZZDMGQDQPF-FNORWQNLSA-N 1 2 329.331 3.706 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(c2ccccc2F)CC1 ZINC000555364550 1040481620 /nfs/dbraw/zinc/48/16/20/1040481620.db2.gz MNHXGALXGMCWSU-UHFFFAOYSA-N 1 2 330.359 3.819 20 5 EHBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc(F)c(Cl)cc2F)c(F)c1 ZINC000433186530 1041020792 /nfs/dbraw/zinc/02/07/92/1041020792.db2.gz FHBFNFWAEJORHF-UHFFFAOYSA-N 1 2 330.693 3.955 20 5 EHBDLO CC(C)c1ccc(CNc2ccc(N3CCCC3)c[nH+]2)cc1[N+](=O)[O-] ZINC000513004051 1041386328 /nfs/dbraw/zinc/38/63/28/1041386328.db2.gz LYWKKJXUHYUULE-UHFFFAOYSA-N 1 2 340.427 3.747 20 5 EHBDLO Cc1nc(C(C)C)ccc1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000549532621 1041977656 /nfs/dbraw/zinc/97/76/56/1041977656.db2.gz VLGCJGJQYWPWDV-UHFFFAOYSA-N 1 2 325.412 3.980 20 5 EHBDLO Cc1nc(C(C)C)ccc1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000549532621 1041977662 /nfs/dbraw/zinc/97/76/62/1041977662.db2.gz VLGCJGJQYWPWDV-UHFFFAOYSA-N 1 2 325.412 3.980 20 5 EHBDLO Cc1cc(C)c(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])c[nH+]1 ZINC000396999949 1042844386 /nfs/dbraw/zinc/84/43/86/1042844386.db2.gz ZPIWOCHBEKZPJZ-UHFFFAOYSA-N 1 2 326.278 3.633 20 5 EHBDLO C[C@@H]1CC[C@@H](OC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC001126303422 1043004076 /nfs/dbraw/zinc/00/40/76/1043004076.db2.gz IXRMCQRQEBVXTL-PBFPGSCMSA-N 1 2 343.383 3.762 20 5 EHBDLO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1nccn1C ZINC000279468615 1044122565 /nfs/dbraw/zinc/12/25/65/1044122565.db2.gz JUCSIUCNBJMCRT-CYBMUJFWSA-N 1 2 342.321 3.588 20 5 EHBDLO CC(C)(C)c1ccc([C@H]2CCC[N@@H+]2Cn2nccc2[N+](=O)[O-])cc1 ZINC000917473915 1122611706 /nfs/dbraw/zinc/61/17/06/1122611706.db2.gz HAFXRQLWYWYTNN-MRXNPFEDSA-N 1 2 328.416 3.883 20 5 EHBDLO CC(C)(C)c1ccc([C@H]2CCC[N@H+]2Cn2nccc2[N+](=O)[O-])cc1 ZINC000917473915 1122611707 /nfs/dbraw/zinc/61/17/07/1122611707.db2.gz HAFXRQLWYWYTNN-MRXNPFEDSA-N 1 2 328.416 3.883 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000081574665 1123849370 /nfs/dbraw/zinc/84/93/70/1123849370.db2.gz XCOIRLPZFSWKNE-IFXJQAMLSA-N 1 2 339.395 3.535 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000081574665 1123849376 /nfs/dbraw/zinc/84/93/76/1123849376.db2.gz XCOIRLPZFSWKNE-IFXJQAMLSA-N 1 2 339.395 3.535 20 5 EHBDLO COc1cccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1F ZINC000619725001 1125389892 /nfs/dbraw/zinc/38/98/92/1125389892.db2.gz JLSSINLSMXTMSQ-UHFFFAOYSA-N 1 2 330.359 3.907 20 5 EHBDLO COc1cccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1F ZINC000619725001 1125389896 /nfs/dbraw/zinc/38/98/96/1125389896.db2.gz JLSSINLSMXTMSQ-UHFFFAOYSA-N 1 2 330.359 3.907 20 5 EHBDLO C[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccsc1 ZINC000619782692 1125404314 /nfs/dbraw/zinc/40/43/14/1125404314.db2.gz JMMJGNPSXGPASF-SNVBAGLBSA-N 1 2 330.369 3.557 20 5 EHBDLO COc1ccc2c(c1)OCC[N@H+]([C@@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC000619810727 1125414555 /nfs/dbraw/zinc/41/45/55/1125414555.db2.gz RNNCRSUHJKCXFU-ZDUSSCGKSA-N 1 2 328.368 3.559 20 5 EHBDLO COc1ccc2c(c1)OCC[N@@H+]([C@@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC000619810727 1125414586 /nfs/dbraw/zinc/41/45/86/1125414586.db2.gz RNNCRSUHJKCXFU-ZDUSSCGKSA-N 1 2 328.368 3.559 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000081574949 1129429341 /nfs/dbraw/zinc/42/93/41/1129429341.db2.gz HWWQGNDWVXYYKP-AUUYWEPGSA-N 1 2 339.395 3.535 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000081574949 1129429342 /nfs/dbraw/zinc/42/93/42/1129429342.db2.gz HWWQGNDWVXYYKP-AUUYWEPGSA-N 1 2 339.395 3.535 20 5 EHBDLO Cn1c2ccccc2nc1C[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093363906 1129585730 /nfs/dbraw/zinc/58/57/30/1129585730.db2.gz ZOPXKWIPWQJTHK-VQHVLOKHSA-N 1 2 336.395 3.627 20 5 EHBDLO Cn1c2ccccc2nc1C[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093363906 1129585734 /nfs/dbraw/zinc/58/57/34/1129585734.db2.gz ZOPXKWIPWQJTHK-VQHVLOKHSA-N 1 2 336.395 3.627 20 5 EHBDLO COc1cc(C[N@@H+]2C[C@@H](C)[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000245738206 1130314505 /nfs/dbraw/zinc/31/45/05/1130314505.db2.gz LETJSUZTAXLHLD-BFUOFWGJSA-N 1 2 342.395 3.805 20 5 EHBDLO COc1cc(C[N@H+]2C[C@@H](C)[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000245738206 1130314512 /nfs/dbraw/zinc/31/45/12/1130314512.db2.gz LETJSUZTAXLHLD-BFUOFWGJSA-N 1 2 342.395 3.805 20 5 EHBDLO O=[N+]([O-])c1ccc(Nc2cc(Br)cn3cc[nH+]c23)cc1 ZINC001174475938 1132380601 /nfs/dbraw/zinc/38/06/01/1132380601.db2.gz TVKPKHQRPIECOX-UHFFFAOYSA-N 1 2 333.145 3.749 20 5 EHBDLO C[C@@H]([NH2+]Cc1ncccc1Br)c1ccc([N+](=O)[O-])cc1 ZINC001176028158 1132823575 /nfs/dbraw/zinc/82/35/75/1132823575.db2.gz IVFUFYYOLLRYJP-SNVBAGLBSA-N 1 2 336.189 3.603 20 5 EHBDLO Cc1cc(N[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)ccc1[NH+](C)C ZINC000774321808 1133661020 /nfs/dbraw/zinc/66/10/20/1133661020.db2.gz ASURFGGGZPSVPR-DOTOQJQBSA-N 1 2 343.431 3.762 20 5 EHBDLO Cc1cc(NCc2c(Cl)cccc2-n2cc[nH+]c2)ncc1[N+](=O)[O-] ZINC001186550088 1134235818 /nfs/dbraw/zinc/23/58/18/1134235818.db2.gz FXTSWVKWRXHFQD-UHFFFAOYSA-N 1 2 343.774 3.749 20 5 EHBDLO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)Cc2ccccc2O1 ZINC000808791013 1135738782 /nfs/dbraw/zinc/73/87/82/1135738782.db2.gz DODJUGPAMVPXFQ-UHFFFAOYSA-N 1 2 330.359 3.907 20 5 EHBDLO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)Cc2ccccc2O1 ZINC000808791013 1135738785 /nfs/dbraw/zinc/73/87/85/1135738785.db2.gz DODJUGPAMVPXFQ-UHFFFAOYSA-N 1 2 330.359 3.907 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1Cl ZINC000811520873 1136097994 /nfs/dbraw/zinc/09/79/94/1136097994.db2.gz WAFLSRRKAWHSKF-LBPRGKRZSA-N 1 2 341.198 3.545 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1Cl ZINC000811520873 1136097997 /nfs/dbraw/zinc/09/79/97/1136097997.db2.gz WAFLSRRKAWHSKF-LBPRGKRZSA-N 1 2 341.198 3.545 20 5 EHBDLO C[C@@H]1C[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])CCC1(F)F ZINC000811511992 1136102889 /nfs/dbraw/zinc/10/28/89/1136102889.db2.gz ADWOJSFSSRYIGE-SECBINFHSA-N 1 2 349.175 3.834 20 5 EHBDLO C[C@@H]1C[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])CCC1(F)F ZINC000811511992 1136102890 /nfs/dbraw/zinc/10/28/90/1136102890.db2.gz ADWOJSFSSRYIGE-SECBINFHSA-N 1 2 349.175 3.834 20 5 EHBDLO O=[N+]([O-])c1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000818321725 1136870807 /nfs/dbraw/zinc/87/08/07/1136870807.db2.gz YOEPAZJXMSLAMS-UHFFFAOYSA-N 1 2 343.343 3.632 20 5 EHBDLO C[C@H](O)[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1F ZINC000846018998 1137326325 /nfs/dbraw/zinc/32/63/25/1137326325.db2.gz XDYKFJUWAUJHFA-QFYYESIMSA-N 1 2 338.766 3.599 20 5 EHBDLO CCCOc1ccc(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])cn1 ZINC000872034389 1137566655 /nfs/dbraw/zinc/56/66/55/1137566655.db2.gz HZNQKOMUFBHMLL-LBPRGKRZSA-N 1 2 333.363 3.769 20 5 EHBDLO COc1ccc([C@H]2C[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CCO2)cc1 ZINC000879631820 1137752780 /nfs/dbraw/zinc/75/27/80/1137752780.db2.gz RDCOTEGKCKYPBU-AUUYWEPGSA-N 1 2 342.395 3.738 20 5 EHBDLO COc1ccc([C@H]2C[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CCO2)cc1 ZINC000879631820 1137752781 /nfs/dbraw/zinc/75/27/81/1137752781.db2.gz RDCOTEGKCKYPBU-AUUYWEPGSA-N 1 2 342.395 3.738 20 5 EHBDLO COc1cc(C[N@@H+]2CCC[C@H]2c2cncc(C)c2)c([N+](=O)[O-])cc1F ZINC000879750535 1137757856 /nfs/dbraw/zinc/75/78/56/1137757856.db2.gz WNYDAHLOQPRDAK-INIZCTEOSA-N 1 2 345.374 3.783 20 5 EHBDLO COc1cc(C[N@H+]2CCC[C@H]2c2cncc(C)c2)c([N+](=O)[O-])cc1F ZINC000879750535 1137757857 /nfs/dbraw/zinc/75/78/57/1137757857.db2.gz WNYDAHLOQPRDAK-INIZCTEOSA-N 1 2 345.374 3.783 20 5 EHBDLO Cc1ccc(C)n1C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000332441210 1137944066 /nfs/dbraw/zinc/94/40/66/1137944066.db2.gz HZMPUIKNNNUJGS-UHFFFAOYSA-N 1 2 329.400 3.556 20 5 EHBDLO Cc1occc1C[N@@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000128487650 1138391363 /nfs/dbraw/zinc/39/13/63/1138391363.db2.gz XLIJQUWHOKNCAX-LLVKDONJSA-N 1 2 342.355 3.739 20 5 EHBDLO Cc1occc1C[N@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000128487650 1138391366 /nfs/dbraw/zinc/39/13/66/1138391366.db2.gz XLIJQUWHOKNCAX-LLVKDONJSA-N 1 2 342.355 3.739 20 5 EHBDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000175410732 1139489182 /nfs/dbraw/zinc/48/91/82/1139489182.db2.gz HZKPQBBQDVNODM-JCQPUDPBSA-N 1 2 332.425 3.525 20 5 EHBDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000175410732 1139489186 /nfs/dbraw/zinc/48/91/86/1139489186.db2.gz HZKPQBBQDVNODM-JCQPUDPBSA-N 1 2 332.425 3.525 20 5 EHBDLO C[C@@H]1CSCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000179661437 1139772620 /nfs/dbraw/zinc/77/26/20/1139772620.db2.gz DJYZNTBASHAGIT-LLVKDONJSA-N 1 2 335.454 3.656 20 5 EHBDLO C[C@@H]1CSCC[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000179661437 1139772624 /nfs/dbraw/zinc/77/26/24/1139772624.db2.gz DJYZNTBASHAGIT-LLVKDONJSA-N 1 2 335.454 3.656 20 5 EHBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](c1nc(C)cs1)C1CC1 ZINC000183499155 1140043095 /nfs/dbraw/zinc/04/30/95/1140043095.db2.gz PCFDZPQANCHLQL-OAHLLOKOSA-N 1 2 333.413 3.609 20 5 EHBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2ncc(CC)s2)cc1[N+](=O)[O-] ZINC000154051844 1014926368 /nfs/dbraw/zinc/92/63/68/1014926368.db2.gz QJKVTPUVKZYPHA-LLVKDONJSA-N 1 2 335.429 3.863 20 5 EHBDLO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3ccn(C(F)F)n3)C2)cc1 ZINC000449498434 1032671486 /nfs/dbraw/zinc/67/14/86/1032671486.db2.gz KPGZTILTFIQCMJ-CYBMUJFWSA-N 1 2 336.342 3.566 20 5 EHBDLO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3ccn(C(F)F)n3)C2)cc1 ZINC000449498434 1032671496 /nfs/dbraw/zinc/67/14/96/1032671496.db2.gz KPGZTILTFIQCMJ-CYBMUJFWSA-N 1 2 336.342 3.566 20 5 EHBDLO O=[N+]([O-])c1cccc(CNc2cc[nH+]c(OCC(F)(F)F)c2)c1 ZINC000340555286 1018412822 /nfs/dbraw/zinc/41/28/22/1018412822.db2.gz BXKJZWPHYMNTQA-UHFFFAOYSA-N 1 2 327.262 3.543 20 5 EHBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000728290758 1019038357 /nfs/dbraw/zinc/03/83/57/1019038357.db2.gz INZFBRGQMAQNJE-OAHLLOKOSA-N 1 2 344.342 3.800 20 5 EHBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000728290758 1019038369 /nfs/dbraw/zinc/03/83/69/1019038369.db2.gz INZFBRGQMAQNJE-OAHLLOKOSA-N 1 2 344.342 3.800 20 5 EHBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000437576257 1021962751 /nfs/dbraw/zinc/96/27/51/1021962751.db2.gz HPEAITRIBKOVNW-KDOFPFPSSA-N 1 2 339.395 3.677 20 5 EHBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000437576257 1021962759 /nfs/dbraw/zinc/96/27/59/1021962759.db2.gz HPEAITRIBKOVNW-KDOFPFPSSA-N 1 2 339.395 3.677 20 5 EHBDLO COc1c(O)ccc(C[N@H+](C)[C@H](C)c2ccccc2F)c1[N+](=O)[O-] ZINC000891592118 1022003846 /nfs/dbraw/zinc/00/38/46/1022003846.db2.gz NLVYPNPSPBZQMW-LLVKDONJSA-N 1 2 334.347 3.641 20 5 EHBDLO COc1c(O)ccc(C[N@@H+](C)[C@H](C)c2ccccc2F)c1[N+](=O)[O-] ZINC000891592118 1022003860 /nfs/dbraw/zinc/00/38/60/1022003860.db2.gz NLVYPNPSPBZQMW-LLVKDONJSA-N 1 2 334.347 3.641 20 5 EHBDLO Cc1cc(-c2nnc(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)o2)c(C)o1 ZINC000341580917 1022389936 /nfs/dbraw/zinc/38/99/36/1022389936.db2.gz CTBFDEXFNRKBTL-LLVKDONJSA-N 1 2 342.355 3.705 20 5 EHBDLO C[C@@]1(c2ccc(F)cc2)CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000550000928 1022533588 /nfs/dbraw/zinc/53/35/88/1022533588.db2.gz YLJQNHWWQDHEAY-GOSISDBHSA-N 1 2 330.359 3.603 20 5 EHBDLO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000550000928 1022533597 /nfs/dbraw/zinc/53/35/97/1022533597.db2.gz YLJQNHWWQDHEAY-GOSISDBHSA-N 1 2 330.359 3.603 20 5 EHBDLO Cc1ccc(C[N@H+](C)CC(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000506942081 1023016762 /nfs/dbraw/zinc/01/67/62/1023016762.db2.gz CVPNEZKUVJKILR-UHFFFAOYSA-N 1 2 347.802 3.627 20 5 EHBDLO Cc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000506942081 1023016775 /nfs/dbraw/zinc/01/67/75/1023016775.db2.gz CVPNEZKUVJKILR-UHFFFAOYSA-N 1 2 347.802 3.627 20 5 EHBDLO O=C(C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000025442714 1024989052 /nfs/dbraw/zinc/98/90/52/1024989052.db2.gz AKWXLGYDJNLFKE-MRXNPFEDSA-N 1 2 343.358 3.510 20 5 EHBDLO O=C(C[N@H+]1CCC[C@@H]1c1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000025442714 1024989058 /nfs/dbraw/zinc/98/90/58/1024989058.db2.gz AKWXLGYDJNLFKE-MRXNPFEDSA-N 1 2 343.358 3.510 20 5 EHBDLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000051500138 1025556298 /nfs/dbraw/zinc/55/62/98/1025556298.db2.gz AHWPAHRJHBTYGB-UHFFFAOYSA-N 1 2 341.411 3.591 20 5 EHBDLO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000051500138 1025556315 /nfs/dbraw/zinc/55/63/15/1025556315.db2.gz AHWPAHRJHBTYGB-UHFFFAOYSA-N 1 2 341.411 3.591 20 5 EHBDLO Cc1cc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nn1C ZINC000281926968 1025715214 /nfs/dbraw/zinc/71/52/14/1025715214.db2.gz ATWOZKGGZJQKSX-SNVBAGLBSA-N 1 2 342.321 3.506 20 5 EHBDLO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000451413855 1025945860 /nfs/dbraw/zinc/94/58/60/1025945860.db2.gz ZGHLIYAVIGXOQZ-ZJUUUORDSA-N 1 2 342.321 3.634 20 5 EHBDLO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000451413855 1025945865 /nfs/dbraw/zinc/94/58/65/1025945865.db2.gz ZGHLIYAVIGXOQZ-ZJUUUORDSA-N 1 2 342.321 3.634 20 5 EHBDLO Cc1[nH]c([C@@H]2CCCN2c2ccc([N+](=O)[O-])c3cnccc32)[nH+]c1C ZINC000895194257 1026091926 /nfs/dbraw/zinc/09/19/26/1026091926.db2.gz ZCNKFCMZTFBNRZ-KRWDZBQOSA-N 1 2 337.383 3.824 20 5 EHBDLO CCn1nc(C)c([N+](=O)[O-])c1Nc1ccc(NC2CCCC2)[nH+]c1 ZINC000479957212 1026915234 /nfs/dbraw/zinc/91/52/34/1026915234.db2.gz AAKWUKFIOVULGL-UHFFFAOYSA-N 1 2 330.392 3.613 20 5 EHBDLO Cc1cc(CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cc(C)[nH+]1 ZINC000421117075 1028101465 /nfs/dbraw/zinc/10/14/65/1028101465.db2.gz YFKKOLYYBUNLGK-UHFFFAOYSA-N 1 2 328.372 3.545 20 5 EHBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cc(-c3ccccc3)no1)CC2 ZINC000088605502 1028593931 /nfs/dbraw/zinc/59/39/31/1028593931.db2.gz HGJVLGIAHGHBIK-UHFFFAOYSA-N 1 2 335.363 3.808 20 5 EHBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cc(-c3ccccc3)no1)CC2 ZINC000088605502 1028593942 /nfs/dbraw/zinc/59/39/42/1028593942.db2.gz HGJVLGIAHGHBIK-UHFFFAOYSA-N 1 2 335.363 3.808 20 5 EHBDLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000424329149 1028976026 /nfs/dbraw/zinc/97/60/26/1028976026.db2.gz PGMARQRUDLDJPC-WDEREUQCSA-N 1 2 349.412 3.558 20 5 EHBDLO CCC(=O)c1ccc(NCCCc2cccc(C)[nH+]2)c([N+](=O)[O-])c1 ZINC000343232173 1029837253 /nfs/dbraw/zinc/83/72/53/1029837253.db2.gz CDSAHDSCHCTPHO-UHFFFAOYSA-N 1 2 327.384 3.936 20 5 EHBDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000532125222 1030420189 /nfs/dbraw/zinc/42/01/89/1030420189.db2.gz OVZDDXHNNIXVIV-LBPRGKRZSA-N 1 2 340.445 3.600 20 5 EHBDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000532125222 1030420196 /nfs/dbraw/zinc/42/01/96/1030420196.db2.gz OVZDDXHNNIXVIV-LBPRGKRZSA-N 1 2 340.445 3.600 20 5 EHBDLO CC(C)c1nnc([C@H](C)[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)[nH]1 ZINC000278597192 1031582167 /nfs/dbraw/zinc/58/21/67/1031582167.db2.gz AJDYBHQUBMWJLP-NHYWBVRUSA-N 1 2 343.431 3.910 20 5 EHBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ncccc3Cl)CC2)cc1 ZINC000599303548 1033865122 /nfs/dbraw/zinc/86/51/22/1033865122.db2.gz RJYUYMIUOLHOSV-UHFFFAOYSA-N 1 2 347.802 3.687 20 5 EHBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000603859195 1033982796 /nfs/dbraw/zinc/98/27/96/1033982796.db2.gz MXDUMTLMUMWXDI-UHFFFAOYSA-N 1 2 330.359 3.907 20 5 EHBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000603859195 1033982807 /nfs/dbraw/zinc/98/28/07/1033982807.db2.gz MXDUMTLMUMWXDI-UHFFFAOYSA-N 1 2 330.359 3.907 20 5 EHBDLO Cc1cc(NCc2cc[nH+]c(N3CCCCC3)c2)c([N+](=O)[O-])s1 ZINC000596080538 1034070432 /nfs/dbraw/zinc/07/04/32/1034070432.db2.gz IJZDZTARMIPBIT-UHFFFAOYSA-N 1 2 332.429 3.962 20 5 EHBDLO O=[N+]([O-])c1ccc2nc(NCc3ccc(-n4cc[nH+]c4)cc3)ccc2c1 ZINC000066372264 1035419661 /nfs/dbraw/zinc/41/96/61/1035419661.db2.gz QJPQIQFGDDQBET-UHFFFAOYSA-N 1 2 345.362 3.941 20 5 EHBDLO CC[C@@H]([NH2+][C@H](C)c1ncc(C(=O)OC)s1)c1cccc([N+](=O)[O-])c1 ZINC000414118177 1035601436 /nfs/dbraw/zinc/60/14/36/1035601436.db2.gz UOIGDTBCHLDRHK-ZWNOBZJWSA-N 1 2 349.412 3.640 20 5 EHBDLO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H](C)S1 ZINC000535084690 1035980218 /nfs/dbraw/zinc/98/02/18/1035980218.db2.gz UVPJZKMVXQOCJF-AOOOYVTPSA-N 1 2 332.372 3.522 20 5 EHBDLO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H](C)S1 ZINC000535084690 1035980236 /nfs/dbraw/zinc/98/02/36/1035980236.db2.gz UVPJZKMVXQOCJF-AOOOYVTPSA-N 1 2 332.372 3.522 20 5 EHBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ncc(Br)s1 ZINC000180417743 1036776795 /nfs/dbraw/zinc/77/67/95/1036776795.db2.gz QPYRBSMSKORXLT-MRVPVSSYSA-N 1 2 342.218 3.665 20 5 EHBDLO Cc1ccoc1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000491414312 1037463396 /nfs/dbraw/zinc/46/33/96/1037463396.db2.gz OKPUHLJSYOOCLI-UHFFFAOYSA-N 1 2 329.381 3.910 20 5 EHBDLO C[N@H+](Cc1ccc(Br)o1)Cc1ccccc1[N+](=O)[O-] ZINC000030215533 1037667829 /nfs/dbraw/zinc/66/78/29/1037667829.db2.gz KKOKOAFESVORQR-UHFFFAOYSA-N 1 2 325.162 3.582 20 5 EHBDLO C[N@@H+](Cc1ccc(Br)o1)Cc1ccccc1[N+](=O)[O-] ZINC000030215533 1037667840 /nfs/dbraw/zinc/66/78/40/1037667840.db2.gz KKOKOAFESVORQR-UHFFFAOYSA-N 1 2 325.162 3.582 20 5 EHBDLO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1cccc2c1OCO2 ZINC000925515010 1037803405 /nfs/dbraw/zinc/80/34/05/1037803405.db2.gz RISYYKSRZLLCRA-JTQLQIEISA-N 1 2 334.759 3.828 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)c1cc(C(F)(F)F)on1 ZINC000492148680 1038038145 /nfs/dbraw/zinc/03/81/45/1038038145.db2.gz BUSVBQCKFHYQLX-UHFFFAOYSA-N 1 2 343.305 3.935 20 5 EHBDLO CC(C)([NH2+]Cc1ccn(-c2ccccc2)n1)c1ccccc1[N+](=O)[O-] ZINC000492196200 1038109042 /nfs/dbraw/zinc/10/90/42/1038109042.db2.gz YKGBFNBUMMAAAG-UHFFFAOYSA-N 1 2 336.395 3.805 20 5 EHBDLO O=C(c1cccs1)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000365788591 1038539185 /nfs/dbraw/zinc/53/91/85/1038539185.db2.gz UNJDLGGWQIUTDG-UHFFFAOYSA-N 1 2 330.409 3.751 20 5 EHBDLO CC(C)c1ccc(CN(C)Cc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000432789618 1039184345 /nfs/dbraw/zinc/18/43/45/1039184345.db2.gz UBRZSWFBUWPCMM-UHFFFAOYSA-N 1 2 342.443 3.883 20 5 EHBDLO Cc1cc(C)c2c(c1)C[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)CC2 ZINC000485843704 1039610993 /nfs/dbraw/zinc/61/09/93/1039610993.db2.gz FMYNUUDTNAOFDS-UHFFFAOYSA-N 1 2 337.379 3.911 20 5 EHBDLO Cc1cc(C)c2c(c1)C[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)CC2 ZINC000485843704 1039611009 /nfs/dbraw/zinc/61/10/09/1039611009.db2.gz FMYNUUDTNAOFDS-UHFFFAOYSA-N 1 2 337.379 3.911 20 5 EHBDLO CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000549718018 1039718815 /nfs/dbraw/zinc/71/88/15/1039718815.db2.gz QGYZIBNMVTWXOG-KRWDZBQOSA-N 1 2 330.384 3.892 20 5 EHBDLO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000549718018 1039718829 /nfs/dbraw/zinc/71/88/29/1039718829.db2.gz QGYZIBNMVTWXOG-KRWDZBQOSA-N 1 2 330.384 3.892 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1cccs1)C1CC1 ZINC000027107581 1039895991 /nfs/dbraw/zinc/89/59/91/1039895991.db2.gz SOXBUKCWAILCPL-UHFFFAOYSA-N 1 2 345.424 3.568 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1cccs1)C1CC1 ZINC000027107581 1039896012 /nfs/dbraw/zinc/89/60/12/1039896012.db2.gz SOXBUKCWAILCPL-UHFFFAOYSA-N 1 2 345.424 3.568 20 5 EHBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2cnc(C3CC3)o2)cc(C(F)(F)F)c1 ZINC000600155562 1040748073 /nfs/dbraw/zinc/74/80/73/1040748073.db2.gz HDWHWMVNKHNQGY-UHFFFAOYSA-N 1 2 341.289 3.769 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000092735942 1040959482 /nfs/dbraw/zinc/95/94/82/1040959482.db2.gz FEAKSYZXHUEOFR-UHFFFAOYSA-N 1 2 334.416 3.614 20 5 EHBDLO O=C(Nc1ccc2ccoc2c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000343994373 1043073139 /nfs/dbraw/zinc/07/31/39/1043073139.db2.gz SABLIIRJLFYBRJ-UHFFFAOYSA-N 1 2 348.318 3.779 20 5 EHBDLO Cc1cc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000301624871 1128764419 /nfs/dbraw/zinc/76/44/19/1128764419.db2.gz GDPPDPWABZVCBV-ZBEGNZNMSA-N 1 2 334.807 3.841 20 5 EHBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)c1 ZINC000921835605 1128798571 /nfs/dbraw/zinc/79/85/71/1128798571.db2.gz ZIYSFLYHQOKPOS-UHFFFAOYSA-N 1 2 341.198 3.792 20 5 EHBDLO COc1cc(C[N@H+](C)Cc2ccc(F)cc2C)c([N+](=O)[O-])cc1F ZINC000488023523 1121634357 /nfs/dbraw/zinc/63/43/57/1121634357.db2.gz IBKBFWOZEFDIBL-UHFFFAOYSA-N 1 2 336.338 3.822 20 5 EHBDLO COc1cc(C[N@@H+](C)Cc2ccc(F)cc2C)c([N+](=O)[O-])cc1F ZINC000488023523 1121634363 /nfs/dbraw/zinc/63/43/63/1121634363.db2.gz IBKBFWOZEFDIBL-UHFFFAOYSA-N 1 2 336.338 3.822 20 5 EHBDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000301151736 1122172704 /nfs/dbraw/zinc/17/27/04/1122172704.db2.gz PDRPNLPVSVELAL-CYBMUJFWSA-N 1 2 346.818 3.526 20 5 EHBDLO Cc1cc(N[C@H]2CCN(c3cccc[nH+]3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000301767559 1129048552 /nfs/dbraw/zinc/04/85/52/1129048552.db2.gz IHXRFQWGGJBWKR-LBPRGKRZSA-N 1 2 332.791 3.642 20 5 EHBDLO COC(=O)c1sccc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181819401 1125047799 /nfs/dbraw/zinc/04/77/99/1125047799.db2.gz PPPGXCVGRLASPE-NSHDSACASA-N 1 2 334.397 3.602 20 5 EHBDLO O=[N+]([O-])c1ccc(CNc2[nH]c3ccc(Br)cc3[nH+]2)cc1 ZINC000082741749 1129513684 /nfs/dbraw/zinc/51/36/84/1129513684.db2.gz XJIRDFHLYJXLSJ-UHFFFAOYSA-N 1 2 347.172 3.846 20 5 EHBDLO O=[N+]([O-])c1ccc(CNc2[nH]c3cc(Br)ccc3[nH+]2)cc1 ZINC000082741749 1129513686 /nfs/dbraw/zinc/51/36/86/1129513686.db2.gz XJIRDFHLYJXLSJ-UHFFFAOYSA-N 1 2 347.172 3.846 20 5 EHBDLO CCOc1ccc([C@@H](C)[NH2+][C@H](COC)c2ccc(C)o2)cc1[N+](=O)[O-] ZINC000154105411 1129533318 /nfs/dbraw/zinc/53/33/18/1129533318.db2.gz KGOPHNDGWNDPSO-UKRRQHHQSA-N 1 2 348.399 3.933 20 5 EHBDLO CN(CCCn1cc[nH+]c1)c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000302262131 1129774630 /nfs/dbraw/zinc/77/46/30/1129774630.db2.gz DAMPCNHXYIEHNX-UHFFFAOYSA-N 1 2 329.187 3.625 20 5 EHBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccncc3Cl)CC2)cc1 ZINC000174246246 1130343363 /nfs/dbraw/zinc/34/33/63/1130343363.db2.gz OCTPZLCFYXQEGO-UHFFFAOYSA-N 1 2 347.802 3.687 20 5 EHBDLO C[C@@H](Nc1[nH+]cnc2c1cnn2C(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000774727299 1133910647 /nfs/dbraw/zinc/91/06/47/1133910647.db2.gz APOKBUVVGQOLHM-LLVKDONJSA-N 1 2 340.387 3.663 20 5 EHBDLO Cc1cc(C)cc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000775147478 1134389888 /nfs/dbraw/zinc/38/98/88/1134389888.db2.gz CHGKDWFEAZCSPU-UHFFFAOYSA-N 1 2 329.356 3.752 20 5 EHBDLO Cc1cc(C)cc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000775147478 1134389895 /nfs/dbraw/zinc/38/98/95/1134389895.db2.gz CHGKDWFEAZCSPU-UHFFFAOYSA-N 1 2 329.356 3.752 20 5 EHBDLO CC[N@H+](C)[C@@H](C(=O)O[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000775482151 1134923067 /nfs/dbraw/zinc/92/30/67/1134923067.db2.gz SZUHCSMSZVZPGH-RDTXWAMCSA-N 1 2 342.395 3.892 20 5 EHBDLO CC[N@@H+](C)[C@@H](C(=O)O[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000775482151 1134923071 /nfs/dbraw/zinc/92/30/71/1134923071.db2.gz SZUHCSMSZVZPGH-RDTXWAMCSA-N 1 2 342.395 3.892 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cc(C)cc(Cl)n1 ZINC000850467252 1136264504 /nfs/dbraw/zinc/26/45/04/1136264504.db2.gz NPOFMVMBIITSTP-LLVKDONJSA-N 1 2 335.791 3.811 20 5 EHBDLO CO[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@@H]1C ZINC000824820526 1137153817 /nfs/dbraw/zinc/15/38/17/1137153817.db2.gz HFEYCSANVGHDSD-TVQRCGJNSA-N 1 2 333.215 3.758 20 5 EHBDLO CO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@@H]1C ZINC000824820526 1137153818 /nfs/dbraw/zinc/15/38/18/1137153818.db2.gz HFEYCSANVGHDSD-TVQRCGJNSA-N 1 2 333.215 3.758 20 5 EHBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])cc1OC ZINC000339065992 1137217375 /nfs/dbraw/zinc/21/73/75/1137217375.db2.gz DIIPLWWPMGGKCH-GFCCVEGCSA-N 1 2 346.383 3.559 20 5 EHBDLO COc1cccc2c1OCC[C@@H]2[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872044566 1137567386 /nfs/dbraw/zinc/56/73/86/1137567386.db2.gz CFNXDFHJPHXNPN-FZMZJTMJSA-N 1 2 346.358 3.917 20 5 EHBDLO Cc1nccnc1[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000880109167 1137768385 /nfs/dbraw/zinc/76/83/85/1137768385.db2.gz RZQZSWMAYWLWMU-SECBINFHSA-N 1 2 341.198 3.851 20 5 EHBDLO Cc1[nH]c(C2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)[nH+]c1C ZINC000886663003 1138110814 /nfs/dbraw/zinc/11/08/14/1138110814.db2.gz RCKKGXHFJSKQEF-UHFFFAOYSA-N 1 2 348.834 3.968 20 5 EHBDLO COc1cc(C[NH+]2CCC(C(F)(F)F)CC2)c([N+](=O)[O-])cc1F ZINC000184225165 1140088158 /nfs/dbraw/zinc/08/81/58/1140088158.db2.gz BGDBKGHQBZJAGQ-UHFFFAOYSA-N 1 2 336.285 3.517 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H]1CCC[C@@H]1OCc1ccccc1 ZINC000339185685 1141521870 /nfs/dbraw/zinc/52/18/70/1141521870.db2.gz QIFUBISRPRIGIQ-HKUYNNGSSA-N 1 2 342.395 3.528 20 5 EHBDLO CN(Cc1ccc(N)[nH+]c1)c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000127116575 1015906192 /nfs/dbraw/zinc/90/61/92/1015906192.db2.gz KNBNOGSNSVGHOC-UHFFFAOYSA-N 1 2 327.171 3.515 20 5 EHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000584438768 1032588560 /nfs/dbraw/zinc/58/85/60/1032588560.db2.gz NNJADRPQDUBQAX-ZWKOTPCHSA-N 1 2 348.443 3.771 20 5 EHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000584438768 1032588569 /nfs/dbraw/zinc/58/85/69/1032588569.db2.gz NNJADRPQDUBQAX-ZWKOTPCHSA-N 1 2 348.443 3.771 20 5 EHBDLO Cc1ccc([C@H](C)NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000602115182 1032657915 /nfs/dbraw/zinc/65/79/15/1032657915.db2.gz GOXCFISICBENQK-YOEHRIQHSA-N 1 2 344.415 3.564 20 5 EHBDLO O=[N+]([O-])c1c(NCc2ccccc2-n2cc[nH+]c2)ccc2ncccc21 ZINC000091506115 1032706143 /nfs/dbraw/zinc/70/61/43/1032706143.db2.gz FEXOGSLTLCQVLK-UHFFFAOYSA-N 1 2 345.362 3.941 20 5 EHBDLO CCC(=O)c1ccc(NC[C@H]2CCCn3cc(C)[nH+]c32)c([N+](=O)[O-])c1 ZINC000365582481 1017919282 /nfs/dbraw/zinc/91/92/82/1017919282.db2.gz VIRLDDSXALHRRY-CQSZACIVSA-N 1 2 342.399 3.682 20 5 EHBDLO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC2(CCCCC2)O1 ZINC000594059292 1032904940 /nfs/dbraw/zinc/90/49/40/1032904940.db2.gz VZGHSLRTFGUWMQ-CYBMUJFWSA-N 1 2 345.399 3.660 20 5 EHBDLO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC2(CCCCC2)O1 ZINC000594059292 1032904952 /nfs/dbraw/zinc/90/49/52/1032904952.db2.gz VZGHSLRTFGUWMQ-CYBMUJFWSA-N 1 2 345.399 3.660 20 5 EHBDLO CC(C)CCC[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000033243821 1020920678 /nfs/dbraw/zinc/92/06/78/1020920678.db2.gz PNAWIZGIADJENP-AWEZNQCLSA-N 1 2 344.415 3.725 20 5 EHBDLO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1Cl ZINC000051120904 1021179852 /nfs/dbraw/zinc/17/98/52/1021179852.db2.gz CMXJLBVWCVSBEA-JTQLQIEISA-N 1 2 330.775 3.975 20 5 EHBDLO CCOc1cc(C[NH2+][C@H](COC)c2ccc(CC)o2)ccc1[N+](=O)[O-] ZINC000276989190 1023669559 /nfs/dbraw/zinc/66/95/59/1023669559.db2.gz ZRJWJRROBKQPRV-OAHLLOKOSA-N 1 2 348.399 3.626 20 5 EHBDLO C[NH+](C)Cc1csc(CNc2cc(Cl)c(F)cc2[N+](=O)[O-])n1 ZINC000895481910 1024559269 /nfs/dbraw/zinc/55/92/69/1024559269.db2.gz ZXMOFQGSOAUNJI-UHFFFAOYSA-N 1 2 344.799 3.518 20 5 EHBDLO O=C(c1ccccc1)C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000505608709 1024637005 /nfs/dbraw/zinc/63/70/05/1024637005.db2.gz YLCJOGKZZOJTID-UHFFFAOYSA-N 1 2 342.370 3.829 20 5 EHBDLO C[C@@H]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])c1cncs1 ZINC000934195618 1024652472 /nfs/dbraw/zinc/65/24/72/1024652472.db2.gz KAQDIWNNKIADSJ-MRVPVSSYSA-N 1 2 342.218 3.665 20 5 EHBDLO COc1ccc2c(c1)C[N@H+]([C@@H](C)c1cccc([N+](=O)[O-])c1)CCO2 ZINC000451644847 1026181030 /nfs/dbraw/zinc/18/10/30/1026181030.db2.gz WEZVOOSJYCSRDS-ZDUSSCGKSA-N 1 2 328.368 3.559 20 5 EHBDLO COc1ccc2c(c1)C[N@@H+]([C@@H](C)c1cccc([N+](=O)[O-])c1)CCO2 ZINC000451644847 1026181037 /nfs/dbraw/zinc/18/10/37/1026181037.db2.gz WEZVOOSJYCSRDS-ZDUSSCGKSA-N 1 2 328.368 3.559 20 5 EHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)c1cccnc1 ZINC000127812736 1026526765 /nfs/dbraw/zinc/52/67/65/1026526765.db2.gz RNDHHCQBMOGGBL-CQSZACIVSA-N 1 2 329.400 3.970 20 5 EHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000127812736 1026526771 /nfs/dbraw/zinc/52/67/71/1026526771.db2.gz RNDHHCQBMOGGBL-CQSZACIVSA-N 1 2 329.400 3.970 20 5 EHBDLO CCc1nnc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)s1 ZINC000353549556 1028094881 /nfs/dbraw/zinc/09/48/81/1028094881.db2.gz ORSYYMHTHYSZDH-CYBMUJFWSA-N 1 2 332.429 3.521 20 5 EHBDLO CC[C@@H](NC(=O)NCc1c[nH+]c(C)cc1C)c1cccc([N+](=O)[O-])c1 ZINC000455558654 1028453716 /nfs/dbraw/zinc/45/37/16/1028453716.db2.gz MUWWCVOHQHVHDY-QGZVFWFLSA-N 1 2 342.399 3.557 20 5 EHBDLO Cc1ccccc1[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000524757646 1029488557 /nfs/dbraw/zinc/48/85/57/1029488557.db2.gz UHPKQSZDXYCZET-DNVCBOLYSA-N 1 2 326.396 3.865 20 5 EHBDLO Cc1ccccc1[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000524757646 1029488567 /nfs/dbraw/zinc/48/85/67/1029488567.db2.gz UHPKQSZDXYCZET-DNVCBOLYSA-N 1 2 326.396 3.865 20 5 EHBDLO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2nccn2CC)cc1[N+](=O)[O-] ZINC000453337990 1030121654 /nfs/dbraw/zinc/12/16/54/1030121654.db2.gz FRFXQOMRSOBEDR-QWHCGFSZSA-N 1 2 332.404 3.622 20 5 EHBDLO O=[N+]([O-])c1c(Nc2ccc(N3CCCC3)[nH+]c2)ccc2ncccc21 ZINC000484779823 1031950948 /nfs/dbraw/zinc/95/09/48/1031950948.db2.gz VROHNQIXIZHTQL-UHFFFAOYSA-N 1 2 335.367 3.882 20 5 EHBDLO COc1nc(C)cc(C)c1C[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000598651012 1033365784 /nfs/dbraw/zinc/36/57/84/1033365784.db2.gz ZZJDOPLQBXMCQH-AWEZNQCLSA-N 1 2 329.400 3.808 20 5 EHBDLO COc1nc(C)cc(C)c1C[N@@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000598651012 1033365803 /nfs/dbraw/zinc/36/58/03/1033365803.db2.gz ZZJDOPLQBXMCQH-AWEZNQCLSA-N 1 2 329.400 3.808 20 5 EHBDLO COc1ccnc(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)c1F ZINC000594978304 1033580229 /nfs/dbraw/zinc/58/02/29/1033580229.db2.gz RYYVSWSOVFRRQZ-UHFFFAOYSA-N 1 2 333.363 3.551 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000595023838 1033616714 /nfs/dbraw/zinc/61/67/14/1033616714.db2.gz YUGBPVXRBUTCAY-CYBMUJFWSA-N 1 2 344.415 3.766 20 5 EHBDLO COc1cc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)ccc1O ZINC000177049987 1034224619 /nfs/dbraw/zinc/22/46/19/1034224619.db2.gz UWRAWWIMQULRFA-UHFFFAOYSA-N 1 2 336.775 3.594 20 5 EHBDLO COc1cc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)ccc1O ZINC000177049987 1034224630 /nfs/dbraw/zinc/22/46/30/1034224630.db2.gz UWRAWWIMQULRFA-UHFFFAOYSA-N 1 2 336.775 3.594 20 5 EHBDLO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000541073111 1035955130 /nfs/dbraw/zinc/95/51/30/1035955130.db2.gz NAZWHTZETQUEPG-UHFFFAOYSA-N 1 2 334.759 3.609 20 5 EHBDLO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000541073111 1035955141 /nfs/dbraw/zinc/95/51/41/1035955141.db2.gz NAZWHTZETQUEPG-UHFFFAOYSA-N 1 2 334.759 3.609 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000492686216 1036174409 /nfs/dbraw/zinc/17/44/09/1036174409.db2.gz XZEBAKADFNODIR-CHWSQXEVSA-N 1 2 345.365 3.533 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000492686216 1036174418 /nfs/dbraw/zinc/17/44/18/1036174418.db2.gz XZEBAKADFNODIR-CHWSQXEVSA-N 1 2 345.365 3.533 20 5 EHBDLO Cc1cc(CNC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)cc(C)[nH+]1 ZINC000911169497 1039273059 /nfs/dbraw/zinc/27/30/59/1039273059.db2.gz ZFNPCDNZPAKSFE-UHFFFAOYSA-N 1 2 347.802 3.509 20 5 EHBDLO Cc1nc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)sc1C ZINC000894081900 1040038877 /nfs/dbraw/zinc/03/88/77/1040038877.db2.gz IVKVFKFCMNYVLG-UHFFFAOYSA-N 1 2 345.346 3.977 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)c(F)c1 ZINC000491195774 1040954609 /nfs/dbraw/zinc/95/46/09/1040954609.db2.gz YZCHHKZQRDORFJ-GOSISDBHSA-N 1 2 344.386 3.915 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)c(F)c1 ZINC000491195774 1040954628 /nfs/dbraw/zinc/95/46/28/1040954628.db2.gz YZCHHKZQRDORFJ-GOSISDBHSA-N 1 2 344.386 3.915 20 5 EHBDLO Cc1ccc([C@H](C)[NH2+]Cc2nc(-c3ccsc3)no2)cc1[N+](=O)[O-] ZINC000181816468 1042401523 /nfs/dbraw/zinc/40/15/23/1042401523.db2.gz SOPKNECQXUSXGX-NSHDSACASA-N 1 2 344.396 3.866 20 5 EHBDLO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cscn1 ZINC000279566573 1044239181 /nfs/dbraw/zinc/23/91/81/1044239181.db2.gz SJFZJWTYRQNSDV-MRVPVSSYSA-N 1 2 331.319 3.921 20 5 EHBDLO CCOc1ccc([C@H](C)[NH2+]Cc2csc(CC)n2)cc1[N+](=O)[O-] ZINC000153685527 1128597137 /nfs/dbraw/zinc/59/71/37/1128597137.db2.gz WFRLKZMREHOBLU-NSHDSACASA-N 1 2 335.429 3.863 20 5 EHBDLO CCCc1csc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000494845908 1120883770 /nfs/dbraw/zinc/88/37/70/1120883770.db2.gz JPYBFHBBOPLUHP-UHFFFAOYSA-N 1 2 325.821 3.947 20 5 EHBDLO CC(C)C[C@@H](c1nc(-c2ccc([N+](=O)[O-])s2)no1)n1cc[nH+]c1 ZINC000924005011 1121166672 /nfs/dbraw/zinc/16/66/72/1121166672.db2.gz JROLBFVZMMNYGK-JTQLQIEISA-N 1 2 333.373 3.538 20 5 EHBDLO COCC[N@H+](Cc1ccc(C)o1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000154551585 1122700301 /nfs/dbraw/zinc/70/03/01/1122700301.db2.gz QHAMRNWNTSIWRF-UHFFFAOYSA-N 1 2 338.791 3.798 20 5 EHBDLO COCC[N@@H+](Cc1ccc(C)o1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000154551585 1122700304 /nfs/dbraw/zinc/70/03/04/1122700304.db2.gz QHAMRNWNTSIWRF-UHFFFAOYSA-N 1 2 338.791 3.798 20 5 EHBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCCCCC1 ZINC000198184359 1125401107 /nfs/dbraw/zinc/40/11/07/1125401107.db2.gz POLJXODCRSGFMO-UHFFFAOYSA-N 1 2 342.399 3.575 20 5 EHBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000079025175 1129224388 /nfs/dbraw/zinc/22/43/88/1129224388.db2.gz HBIUMTUZJBZEGN-ACJLOTCBSA-N 1 2 330.359 3.868 20 5 EHBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000079025175 1129224390 /nfs/dbraw/zinc/22/43/90/1129224390.db2.gz HBIUMTUZJBZEGN-ACJLOTCBSA-N 1 2 330.359 3.868 20 5 EHBDLO Cc1ccn2c(C[N@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)cnc2c1 ZINC000154308600 1129548474 /nfs/dbraw/zinc/54/84/74/1129548474.db2.gz MCKHXPQQHHIAKS-UHFFFAOYSA-N 1 2 336.395 3.716 20 5 EHBDLO Cc1ccn2c(C[N@@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)cnc2c1 ZINC000154308600 1129548476 /nfs/dbraw/zinc/54/84/76/1129548476.db2.gz MCKHXPQQHHIAKS-UHFFFAOYSA-N 1 2 336.395 3.716 20 5 EHBDLO C[C@H]([NH2+][C@H](CO)c1cccc(Cl)c1F)c1ccccc1[N+](=O)[O-] ZINC000499947233 1129587103 /nfs/dbraw/zinc/58/71/03/1129587103.db2.gz MQQJJVIUCBYRJT-IINYFYTJSA-N 1 2 338.766 3.772 20 5 EHBDLO CC[C@H]1C[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CCS1 ZINC000743400752 1131912008 /nfs/dbraw/zinc/91/20/08/1131912008.db2.gz RNEXCEBMMFYJNN-NSHDSACASA-N 1 2 339.442 3.657 20 5 EHBDLO CC[C@H]1C[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CCS1 ZINC000743400752 1131912013 /nfs/dbraw/zinc/91/20/13/1131912013.db2.gz RNEXCEBMMFYJNN-NSHDSACASA-N 1 2 339.442 3.657 20 5 EHBDLO C[C@@H]1C[NH+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C[C@@H](C)S1 ZINC000743378579 1131914272 /nfs/dbraw/zinc/91/42/72/1131914272.db2.gz XGRAVXHWXZDCMY-NXEZZACHSA-N 1 2 339.442 3.655 20 5 EHBDLO C[C@H]1C[NH+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C[C@H](C)S1 ZINC000743378580 1131914679 /nfs/dbraw/zinc/91/46/79/1131914679.db2.gz XGRAVXHWXZDCMY-UWVGGRQHSA-N 1 2 339.442 3.655 20 5 EHBDLO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@@H](CF)C(F)(F)C1)CC2 ZINC001172909616 1131917081 /nfs/dbraw/zinc/91/70/81/1131917081.db2.gz UBINKBFAXYYCST-LSDHHAIUSA-N 1 2 342.361 3.769 20 5 EHBDLO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CC[C@@H](CF)C(F)(F)C1)CC2 ZINC001172909616 1131917089 /nfs/dbraw/zinc/91/70/89/1131917089.db2.gz UBINKBFAXYYCST-LSDHHAIUSA-N 1 2 342.361 3.769 20 5 EHBDLO CC(C)c1cnc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000743863075 1131992005 /nfs/dbraw/zinc/99/20/05/1131992005.db2.gz SOWOLXBIJSYOBC-UHFFFAOYSA-N 1 2 345.399 3.750 20 5 EHBDLO COc1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1[N+](=O)[O-] ZINC001176360791 1132920467 /nfs/dbraw/zinc/92/04/67/1132920467.db2.gz WZOHAHKGHJUIBG-UHFFFAOYSA-N 1 2 328.372 3.732 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@H+]2CC=C(c3ccc(Cl)nc3)CC2)cs1 ZINC000773657512 1133058309 /nfs/dbraw/zinc/05/83/09/1133058309.db2.gz BDKGQEOLLGRQNR-UHFFFAOYSA-N 1 2 335.816 3.994 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC=C(c3ccc(Cl)nc3)CC2)cs1 ZINC000773657512 1133058316 /nfs/dbraw/zinc/05/83/16/1133058316.db2.gz BDKGQEOLLGRQNR-UHFFFAOYSA-N 1 2 335.816 3.994 20 5 EHBDLO C[C@]12CC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C[C@H]1C2(Cl)Cl ZINC000792902700 1134818346 /nfs/dbraw/zinc/81/83/46/1134818346.db2.gz MHYICCJODGYHOI-OLZOCXBDSA-N 1 2 333.190 3.750 20 5 EHBDLO C[C@]12CC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C[C@H]1C2(Cl)Cl ZINC000792902700 1134818350 /nfs/dbraw/zinc/81/83/50/1134818350.db2.gz MHYICCJODGYHOI-OLZOCXBDSA-N 1 2 333.190 3.750 20 5 EHBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH+]3CCC(F)(F)CC3)cs2)c1 ZINC000793361775 1134909183 /nfs/dbraw/zinc/90/91/83/1134909183.db2.gz LAFBREGIEMXTSU-UHFFFAOYSA-N 1 2 339.367 3.949 20 5 EHBDLO CC[N@H+](C)[C@H](C(=O)O[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000775482148 1134923123 /nfs/dbraw/zinc/92/31/23/1134923123.db2.gz SZUHCSMSZVZPGH-KDOFPFPSSA-N 1 2 342.395 3.892 20 5 EHBDLO CC[N@@H+](C)[C@H](C(=O)O[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000775482148 1134923129 /nfs/dbraw/zinc/92/31/29/1134923129.db2.gz SZUHCSMSZVZPGH-KDOFPFPSSA-N 1 2 342.395 3.892 20 5 EHBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]Cc1cccc(F)n1 ZINC000811485007 1136092510 /nfs/dbraw/zinc/09/25/10/1136092510.db2.gz SLCWNMPVNXBCLK-UHFFFAOYSA-N 1 2 330.146 3.726 20 5 EHBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]Cc1cccnc1F ZINC000811498953 1136094556 /nfs/dbraw/zinc/09/45/56/1136094556.db2.gz DDIDLRUIWMPDGL-UHFFFAOYSA-N 1 2 330.146 3.726 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1Cl ZINC000811520871 1136098492 /nfs/dbraw/zinc/09/84/92/1136098492.db2.gz WAFLSRRKAWHSKF-GFCCVEGCSA-N 1 2 341.198 3.545 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1Cl ZINC000811520871 1136098495 /nfs/dbraw/zinc/09/84/95/1136098495.db2.gz WAFLSRRKAWHSKF-GFCCVEGCSA-N 1 2 341.198 3.545 20 5 EHBDLO C[C@H]1C[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CCC1(F)F ZINC000811780037 1136135097 /nfs/dbraw/zinc/13/50/97/1136135097.db2.gz UCOUEBDBMZZEQE-VIFPVBQESA-N 1 2 343.355 3.807 20 5 EHBDLO C[C@H]1C[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CCC1(F)F ZINC000811780037 1136135098 /nfs/dbraw/zinc/13/50/98/1136135098.db2.gz UCOUEBDBMZZEQE-VIFPVBQESA-N 1 2 343.355 3.807 20 5 EHBDLO NC(Cc1ccc(Cl)cc1)=[NH+]OCc1ccc([N+](=O)[O-])cc1F ZINC000747834147 1136281860 /nfs/dbraw/zinc/28/18/60/1136281860.db2.gz GRTMWZLIEQODSN-UHFFFAOYSA-N 1 2 337.738 3.628 20 5 EHBDLO Cc1noc(C[NH2+][C@H](C)c2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000851902696 1136417534 /nfs/dbraw/zinc/41/75/34/1136417534.db2.gz KZTOSPAABYSRPR-MRVPVSSYSA-N 1 2 329.278 3.761 20 5 EHBDLO Cc1noc(C)c1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113328207 1137912683 /nfs/dbraw/zinc/91/26/83/1137912683.db2.gz MZPSDPKWDFTXEF-UHFFFAOYSA-N 1 2 344.396 3.613 20 5 EHBDLO O=[N+]([O-])c1ncccc1C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000886109087 1138047427 /nfs/dbraw/zinc/04/74/27/1138047427.db2.gz BRVZXUHYJNPSRF-ZDUSSCGKSA-N 1 2 343.280 3.912 20 5 EHBDLO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194050337 1140595137 /nfs/dbraw/zinc/59/51/37/1140595137.db2.gz VWPHLDFVZKHOFC-MRXNPFEDSA-N 1 2 344.371 3.569 20 5 EHBDLO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194050337 1140595140 /nfs/dbraw/zinc/59/51/40/1140595140.db2.gz VWPHLDFVZKHOFC-MRXNPFEDSA-N 1 2 344.371 3.569 20 5 EHBDLO CCCOc1ncccc1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000892724777 1017204558 /nfs/dbraw/zinc/20/45/58/1017204558.db2.gz WLPZWESLPWELCO-UHFFFAOYSA-N 1 2 335.791 3.722 20 5 EHBDLO O=[N+]([O-])c1ccc2c(c1)nccc2NCc1cc[nH+]c(N2CCCC2)c1 ZINC000593457036 1032699460 /nfs/dbraw/zinc/69/94/60/1032699460.db2.gz IAQVQTRPQGZUED-UHFFFAOYSA-N 1 2 349.394 3.750 20 5 EHBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000728290757 1019039319 /nfs/dbraw/zinc/03/93/19/1019039319.db2.gz INZFBRGQMAQNJE-HNNXBMFYSA-N 1 2 344.342 3.800 20 5 EHBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000728290757 1019039336 /nfs/dbraw/zinc/03/93/36/1019039336.db2.gz INZFBRGQMAQNJE-HNNXBMFYSA-N 1 2 344.342 3.800 20 5 EHBDLO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)cc1[N+](=O)[O-] ZINC000167958666 1019067566 /nfs/dbraw/zinc/06/75/66/1019067566.db2.gz LZZMVBAYGLEORF-DZGCQCFKSA-N 1 2 343.431 3.804 20 5 EHBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000182337333 1019326724 /nfs/dbraw/zinc/32/67/24/1019326724.db2.gz VLSGUMBBBKQVJP-CYBMUJFWSA-N 1 2 338.367 3.804 20 5 EHBDLO CC[C@@H](C)N(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H](C)CC ZINC000184944745 1023955622 /nfs/dbraw/zinc/95/56/22/1023955622.db2.gz CPBFGRZRIUTPRB-OKILXGFUSA-N 1 2 344.415 3.820 20 5 EHBDLO Cc1ncc([C@@H](C)[NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)s1 ZINC000602958576 1033278057 /nfs/dbraw/zinc/27/80/57/1033278057.db2.gz YAIABARUTBRUME-SNVBAGLBSA-N 1 2 344.396 3.866 20 5 EHBDLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000129707062 1025846943 /nfs/dbraw/zinc/84/69/43/1025846943.db2.gz MCKDROMESJJMCD-UHFFFAOYSA-N 1 2 342.742 3.686 20 5 EHBDLO CCC(=O)c1ccc(Nc2ccc(N3CCCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000479942128 1026896120 /nfs/dbraw/zinc/89/61/20/1026896120.db2.gz QQOUFLVJUVYKLL-UHFFFAOYSA-N 1 2 340.383 3.926 20 5 EHBDLO CC(=O)c1cc(NCc2ccccc2-n2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000366961857 1028487185 /nfs/dbraw/zinc/48/71/85/1028487185.db2.gz KBBOTEOZUVSDKI-UHFFFAOYSA-N 1 2 336.351 3.595 20 5 EHBDLO O=[N+]([O-])c1ccc(NC2CCN(c3cccc[nH+]3)CC2)c2ccncc21 ZINC000052184965 1029234870 /nfs/dbraw/zinc/23/48/70/1029234870.db2.gz KCZNCYMUWSWCKX-UHFFFAOYSA-N 1 2 349.394 3.619 20 5 EHBDLO Cc1ccsc1C[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000343289689 1030117123 /nfs/dbraw/zinc/11/71/23/1030117123.db2.gz DMYDSVUGKTZJHV-UHFFFAOYSA-N 1 2 344.396 3.647 20 5 EHBDLO Cc1ccsc1C[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000343289689 1030117134 /nfs/dbraw/zinc/11/71/34/1030117134.db2.gz DMYDSVUGKTZJHV-UHFFFAOYSA-N 1 2 344.396 3.647 20 5 EHBDLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000593060150 1030258131 /nfs/dbraw/zinc/25/81/31/1030258131.db2.gz YZKWCIFGADBKRK-HNNXBMFYSA-N 1 2 345.399 3.639 20 5 EHBDLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000593060150 1030258147 /nfs/dbraw/zinc/25/81/47/1030258147.db2.gz YZKWCIFGADBKRK-HNNXBMFYSA-N 1 2 345.399 3.639 20 5 EHBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000585756374 1030916932 /nfs/dbraw/zinc/91/69/32/1030916932.db2.gz GZTONAHSDYSATH-OXJNMPFZSA-N 1 2 339.439 3.515 20 5 EHBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000585756374 1030916960 /nfs/dbraw/zinc/91/69/60/1030916960.db2.gz GZTONAHSDYSATH-OXJNMPFZSA-N 1 2 339.439 3.515 20 5 EHBDLO C[C@@]1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCOc2ccccc21 ZINC000897384244 1031566812 /nfs/dbraw/zinc/56/68/12/1031566812.db2.gz BRTGCIOYNPOOQA-GOSISDBHSA-N 1 2 339.351 3.524 20 5 EHBDLO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1cscn1 ZINC000595668955 1033943124 /nfs/dbraw/zinc/94/31/24/1033943124.db2.gz VSNDJDYNBHRYIA-MRVPVSSYSA-N 1 2 331.319 3.921 20 5 EHBDLO COc1ccc([C@H](C)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])c(OC)c1 ZINC000599600276 1034042425 /nfs/dbraw/zinc/04/24/25/1034042425.db2.gz JVYKGWPRFPCMGG-NSHDSACASA-N 1 2 334.347 3.602 20 5 EHBDLO C[N@H+](CCCC(=O)OC(C)(C)C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493001329 1036526894 /nfs/dbraw/zinc/52/68/94/1036526894.db2.gz DVYKIBNSHCLAOQ-UHFFFAOYSA-N 1 2 342.823 3.802 20 5 EHBDLO C[N@@H+](CCCC(=O)OC(C)(C)C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493001329 1036526910 /nfs/dbraw/zinc/52/69/10/1036526910.db2.gz DVYKIBNSHCLAOQ-UHFFFAOYSA-N 1 2 342.823 3.802 20 5 EHBDLO Cc1cccn2cc(CCNc3cc(C)c([N+](=O)[O-])cc3F)[nH+]c12 ZINC000589689174 1036591972 /nfs/dbraw/zinc/59/19/72/1036591972.db2.gz PJNUZCNIGIBMFG-UHFFFAOYSA-N 1 2 328.347 3.653 20 5 EHBDLO C[C@H]([NH2+]Cc1csc(C(F)(F)F)n1)c1cccc([N+](=O)[O-])c1 ZINC000892622158 1036752899 /nfs/dbraw/zinc/75/28/99/1036752899.db2.gz NDQNQJSXYZPYDI-QMMMGPOBSA-N 1 2 331.319 3.921 20 5 EHBDLO COc1cc2c(cc1F)C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC2 ZINC000539670358 1037060057 /nfs/dbraw/zinc/06/00/57/1037060057.db2.gz IYDFZTYDBVTDGA-GQCTYLIASA-N 1 2 342.370 3.814 20 5 EHBDLO COc1cc2c(cc1F)C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC2 ZINC000539670358 1037060078 /nfs/dbraw/zinc/06/00/78/1037060078.db2.gz IYDFZTYDBVTDGA-GQCTYLIASA-N 1 2 342.370 3.814 20 5 EHBDLO Cc1ccc(C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC2CC2)cn1 ZINC000592145696 1037874754 /nfs/dbraw/zinc/87/47/54/1037874754.db2.gz YNBFVYSUHULDGR-UHFFFAOYSA-N 1 2 329.375 3.850 20 5 EHBDLO Cc1ccc(C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC2CC2)cn1 ZINC000592145696 1037874770 /nfs/dbraw/zinc/87/47/70/1037874770.db2.gz YNBFVYSUHULDGR-UHFFFAOYSA-N 1 2 329.375 3.850 20 5 EHBDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000029530129 1040677546 /nfs/dbraw/zinc/67/75/46/1040677546.db2.gz WOGGAOPTGSNHNL-CYBMUJFWSA-N 1 2 346.818 3.526 20 5 EHBDLO O=[N+]([O-])c1cccc2c(NCc3ccccc3-n3cc[nH+]c3)ccnc21 ZINC000432130852 1041628292 /nfs/dbraw/zinc/62/82/92/1041628292.db2.gz TZWMSOSVMURENG-UHFFFAOYSA-N 1 2 345.362 3.941 20 5 EHBDLO Cc1nn(C)c(Nc2ccc([NH2+]CC3CCCC3)cc2)c1[N+](=O)[O-] ZINC000301289426 1127730982 /nfs/dbraw/zinc/73/09/82/1127730982.db2.gz PQDPMQCWMQXPDP-UHFFFAOYSA-N 1 2 329.404 3.982 20 5 EHBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1ccccc1[N+](=O)[O-] ZINC000301449801 1128064792 /nfs/dbraw/zinc/06/47/92/1128064792.db2.gz PLZWOAHYKXWMPN-UHFFFAOYSA-N 1 2 340.427 3.733 20 5 EHBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ccccc2F)CC1 ZINC000487963637 1121357545 /nfs/dbraw/zinc/35/75/45/1121357545.db2.gz RIJYENPEWFYJFX-AWEZNQCLSA-N 1 2 329.375 3.617 20 5 EHBDLO Cc1cccc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000113325339 1129001112 /nfs/dbraw/zinc/00/11/12/1129001112.db2.gz YTBXNCICKNQGLH-UHFFFAOYSA-N 1 2 340.408 3.712 20 5 EHBDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000301151737 1122177719 /nfs/dbraw/zinc/17/77/19/1122177719.db2.gz PDRPNLPVSVELAL-ZDUSSCGKSA-N 1 2 346.818 3.526 20 5 EHBDLO O=[N+]([O-])c1ccc(NCc2cc[nH+]c(N3CCCCCC3)c2)cc1 ZINC000301162355 1122206466 /nfs/dbraw/zinc/20/64/66/1122206466.db2.gz AYYGKNPYWQLCLL-UHFFFAOYSA-N 1 2 326.400 3.982 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000081574947 1129429238 /nfs/dbraw/zinc/42/92/38/1129429238.db2.gz HWWQGNDWVXYYKP-IFXJQAMLSA-N 1 2 339.395 3.535 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000081574947 1129429242 /nfs/dbraw/zinc/42/92/42/1129429242.db2.gz HWWQGNDWVXYYKP-IFXJQAMLSA-N 1 2 339.395 3.535 20 5 EHBDLO C[C@@H]([NH2+][C@H](CO)c1cccc(Cl)c1F)c1ccccc1[N+](=O)[O-] ZINC000499947234 1129586973 /nfs/dbraw/zinc/58/69/73/1129586973.db2.gz MQQJJVIUCBYRJT-QMTHXVAHSA-N 1 2 338.766 3.772 20 5 EHBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000302678310 1129785274 /nfs/dbraw/zinc/78/52/74/1129785274.db2.gz NVYBOKOEZLAIGZ-CQSZACIVSA-N 1 2 333.775 3.609 20 5 EHBDLO CC[N@H+](C)[C@@H](C(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000745101599 1132194130 /nfs/dbraw/zinc/19/41/30/1132194130.db2.gz RBWWHEWPBKTPEN-RDTXWAMCSA-N 1 2 342.395 3.892 20 5 EHBDLO CC[N@@H+](C)[C@@H](C(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000745101599 1132194134 /nfs/dbraw/zinc/19/41/34/1132194134.db2.gz RBWWHEWPBKTPEN-RDTXWAMCSA-N 1 2 342.395 3.892 20 5 EHBDLO Cc1cc(N[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)ccc1[NH+](C)C ZINC000774321813 1133661034 /nfs/dbraw/zinc/66/10/34/1133661034.db2.gz ASURFGGGZPSVPR-RDJZCZTQSA-N 1 2 343.431 3.762 20 5 EHBDLO O=[N+]([O-])c1cc2cnn(C[NH+]3CCC(C(F)F)CC3)c2c(Cl)c1 ZINC000774637723 1133821753 /nfs/dbraw/zinc/82/17/53/1133821753.db2.gz CXGDPSHWOOSMOR-UHFFFAOYSA-N 1 2 344.749 3.533 20 5 EHBDLO C[C@H](Nc1ccc2c(c1)CCC[N@H+]2C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788729686 1134164061 /nfs/dbraw/zinc/16/40/61/1134164061.db2.gz SHCYJPUORWWGPF-LBPRGKRZSA-N 1 2 326.400 3.733 20 5 EHBDLO C[C@H](Nc1ccc2c(c1)CCC[N@@H+]2C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788729686 1134164065 /nfs/dbraw/zinc/16/40/65/1134164065.db2.gz SHCYJPUORWWGPF-LBPRGKRZSA-N 1 2 326.400 3.733 20 5 EHBDLO Cc1cnc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C2CC2)s1 ZINC000792874308 1134810004 /nfs/dbraw/zinc/81/00/04/1134810004.db2.gz DYQGOCMBWXKNKM-CQSZACIVSA-N 1 2 348.384 3.509 20 5 EHBDLO CC(=O)c1ccc([N+](=O)[O-])cc1NCc1ccccc1-n1cc[nH+]c1 ZINC000808012904 1135606422 /nfs/dbraw/zinc/60/64/22/1135606422.db2.gz VLLAEQLTWFCFQH-UHFFFAOYSA-N 1 2 336.351 3.595 20 5 EHBDLO CC1(C)C[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCCO1 ZINC000809948367 1135905388 /nfs/dbraw/zinc/90/53/88/1135905388.db2.gz ZWBBAQPMAGHEGW-UHFFFAOYSA-N 1 2 333.215 3.903 20 5 EHBDLO CC1(C)C[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCCO1 ZINC000809948367 1135905391 /nfs/dbraw/zinc/90/53/91/1135905391.db2.gz ZWBBAQPMAGHEGW-UHFFFAOYSA-N 1 2 333.215 3.903 20 5 EHBDLO COc1cc(C[NH+]2CC(C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000338957642 1136579457 /nfs/dbraw/zinc/57/94/57/1136579457.db2.gz NZTKFQZDWXHLHZ-UHFFFAOYSA-N 1 2 342.395 3.634 20 5 EHBDLO C[C@@H]([NH2+]Cc1c(F)c(F)cc(F)c1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815595792 1136616609 /nfs/dbraw/zinc/61/66/09/1136616609.db2.gz BOQBJJYTWURDGL-SSDOTTSWSA-N 1 2 343.280 3.584 20 5 EHBDLO C[C@H]1CC=CC[C@@H]1COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000857781394 1136907224 /nfs/dbraw/zinc/90/72/24/1136907224.db2.gz KXMAGBLSYWVIRG-DZGCQCFKSA-N 1 2 341.367 3.540 20 5 EHBDLO CC(C)c1ccc(C[NH2+]Cc2nn(C)cc2C(F)F)cc1[N+](=O)[O-] ZINC000865810458 1137313411 /nfs/dbraw/zinc/31/34/11/1137313411.db2.gz NTHAYIGLCVNUMD-UHFFFAOYSA-N 1 2 338.358 3.679 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H]1Cc1cc(F)ccc1F ZINC001171280062 1137392262 /nfs/dbraw/zinc/39/22/62/1137392262.db2.gz ZEKGCFZSNKJUSA-HNNXBMFYSA-N 1 2 348.349 3.786 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H]1Cc1cc(F)ccc1F ZINC001171280062 1137392264 /nfs/dbraw/zinc/39/22/64/1137392264.db2.gz ZEKGCFZSNKJUSA-HNNXBMFYSA-N 1 2 348.349 3.786 20 5 EHBDLO Cc1ncc2c(n1)CCC[C@@H]2[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872034129 1137566669 /nfs/dbraw/zinc/56/66/69/1137566669.db2.gz IADSNDMRGCESSC-YGRLFVJLSA-N 1 2 330.363 3.561 20 5 EHBDLO Cc1c(C[NH2+]Cc2nc(C(F)(F)F)cs2)cccc1[N+](=O)[O-] ZINC000873058755 1137589158 /nfs/dbraw/zinc/58/91/58/1137589158.db2.gz SYTQDHPEGCRRAZ-UHFFFAOYSA-N 1 2 331.319 3.668 20 5 EHBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000263685448 1138342724 /nfs/dbraw/zinc/34/27/24/1138342724.db2.gz NNWSGSRLVLFODJ-UHFFFAOYSA-N 1 2 348.406 3.559 20 5 EHBDLO Cc1occc1C[N@@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000128487398 1138391399 /nfs/dbraw/zinc/39/13/99/1138391399.db2.gz XLIJQUWHOKNCAX-NSHDSACASA-N 1 2 342.355 3.739 20 5 EHBDLO Cc1occc1C[N@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000128487398 1138391401 /nfs/dbraw/zinc/39/14/01/1138391401.db2.gz XLIJQUWHOKNCAX-NSHDSACASA-N 1 2 342.355 3.739 20 5 EHBDLO CC(C)c1ccc(C[N@H+](C)CC(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000509523767 1139314609 /nfs/dbraw/zinc/31/46/09/1139314609.db2.gz ZDKQOAWOKHMEKJ-UHFFFAOYSA-N 1 2 341.411 3.789 20 5 EHBDLO CC(C)c1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000509523767 1139314616 /nfs/dbraw/zinc/31/46/16/1139314616.db2.gz ZDKQOAWOKHMEKJ-UHFFFAOYSA-N 1 2 341.411 3.789 20 5 EHBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2cc(F)ccc2Br)cs1 ZINC000038039191 202092275 /nfs/dbraw/zinc/09/22/75/202092275.db2.gz WVDIQPACQZOKGQ-UHFFFAOYSA-N 1 2 345.193 3.848 20 5 EHBDLO Cc1cc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc[nH+]1 ZINC000183263227 1125484278 /nfs/dbraw/zinc/48/42/78/1125484278.db2.gz RQQUKSAMMIUBGX-UHFFFAOYSA-N 1 2 337.788 3.682 20 5 EHBDLO Cc1ccccc1-c1noc(-c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000904565030 1032134547 /nfs/dbraw/zinc/13/45/47/1032134547.db2.gz ODUDMTNLYNUWQB-UHFFFAOYSA-N 1 2 347.334 3.806 20 5 EHBDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F ZINC000340444193 1017846239 /nfs/dbraw/zinc/84/62/39/1017846239.db2.gz GXBKNPKOZFICBI-MNOVXSKESA-N 1 2 349.337 3.551 20 5 EHBDLO O=[N+]([O-])c1cc(Cl)cnc1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000340794783 1020005447 /nfs/dbraw/zinc/00/54/47/1020005447.db2.gz IZYDPIQGXIAIOP-UHFFFAOYSA-N 1 2 349.822 3.537 20 5 EHBDLO COC[C@H]1CC[N@@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000516874743 1021805384 /nfs/dbraw/zinc/80/53/84/1021805384.db2.gz BZBORDVFVNCDPH-OAHLLOKOSA-N 1 2 346.358 3.747 20 5 EHBDLO COC[C@H]1CC[N@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000516874743 1021805398 /nfs/dbraw/zinc/80/53/98/1021805398.db2.gz BZBORDVFVNCDPH-OAHLLOKOSA-N 1 2 346.358 3.747 20 5 EHBDLO CCc1nc(C)c(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 ZINC000602670842 1033049840 /nfs/dbraw/zinc/04/98/40/1033049840.db2.gz QVOHWKOQCXSONN-UHFFFAOYSA-N 1 2 343.305 3.762 20 5 EHBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(Nc3ccc(F)cc3)CC2)cs1 ZINC000101561268 1022509230 /nfs/dbraw/zinc/50/92/30/1022509230.db2.gz IBCMKQPRHNLNQB-UHFFFAOYSA-N 1 2 335.404 3.872 20 5 EHBDLO COc1cc(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)c([N+](=O)[O-])cc1F ZINC000184237895 1022605150 /nfs/dbraw/zinc/60/51/50/1022605150.db2.gz WDLBTQRSIZCYDN-INIZCTEOSA-N 1 2 345.374 3.783 20 5 EHBDLO COc1cc(C[N@H+]2CCC[C@H]2c2cccc(C)n2)c([N+](=O)[O-])cc1F ZINC000184237895 1022605157 /nfs/dbraw/zinc/60/51/57/1022605157.db2.gz WDLBTQRSIZCYDN-INIZCTEOSA-N 1 2 345.374 3.783 20 5 EHBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@H](c3ccccc3Cl)C2)cc1 ZINC000507852629 1024731772 /nfs/dbraw/zinc/73/17/72/1024731772.db2.gz XLBNCGMZPAKKEF-SFHVURJKSA-N 1 2 346.814 3.864 20 5 EHBDLO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@H](c3ccccc3Cl)C2)cc1 ZINC000507852629 1024731781 /nfs/dbraw/zinc/73/17/81/1024731781.db2.gz XLBNCGMZPAKKEF-SFHVURJKSA-N 1 2 346.814 3.864 20 5 EHBDLO Cc1[nH]c([C@@H]2CCCN2c2nc3ccc([N+](=O)[O-])cc3s2)[nH+]c1C ZINC000895193884 1026089082 /nfs/dbraw/zinc/08/90/82/1026089082.db2.gz VVQGCGAVZWOITH-ZDUSSCGKSA-N 1 2 343.412 3.886 20 5 EHBDLO C[C@H]([NH2+]Cc1cc(COC(C)(C)C)on1)c1ccc([N+](=O)[O-])cc1 ZINC000186063266 1026206257 /nfs/dbraw/zinc/20/62/57/1026206257.db2.gz LLXNAFGAXWACSN-LBPRGKRZSA-N 1 2 333.388 3.749 20 5 EHBDLO O=[N+]([O-])c1ccc(NCc2cc[nH+]c(N3CCCC3)c2)c2ncccc12 ZINC000024201771 1026885763 /nfs/dbraw/zinc/88/57/63/1026885763.db2.gz KFFSOAVXQWTPON-UHFFFAOYSA-N 1 2 349.394 3.750 20 5 EHBDLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000429719381 1030373910 /nfs/dbraw/zinc/37/39/10/1030373910.db2.gz KQUYFUPJZCUQAV-KRWDZBQOSA-N 1 2 328.368 3.646 20 5 EHBDLO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000429719381 1030373927 /nfs/dbraw/zinc/37/39/27/1030373927.db2.gz KQUYFUPJZCUQAV-KRWDZBQOSA-N 1 2 328.368 3.646 20 5 EHBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000482997781 1030895052 /nfs/dbraw/zinc/89/50/52/1030895052.db2.gz RGKTVHGULGAKQB-HNNXBMFYSA-N 1 2 348.406 3.900 20 5 EHBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000482997781 1030895071 /nfs/dbraw/zinc/89/50/71/1030895071.db2.gz RGKTVHGULGAKQB-HNNXBMFYSA-N 1 2 348.406 3.900 20 5 EHBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000302802787 1031156511 /nfs/dbraw/zinc/15/65/11/1031156511.db2.gz DDAFCXITNCIZFZ-XHDPSFHLSA-N 1 2 334.807 3.841 20 5 EHBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000536172376 1031252508 /nfs/dbraw/zinc/25/25/08/1031252508.db2.gz FAGHMJWMDJVPRC-ZDUSSCGKSA-N 1 2 331.416 3.600 20 5 EHBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000536172376 1031252516 /nfs/dbraw/zinc/25/25/16/1031252516.db2.gz FAGHMJWMDJVPRC-ZDUSSCGKSA-N 1 2 331.416 3.600 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1nc2cc(C)ccc2[nH]1 ZINC000595013991 1033607234 /nfs/dbraw/zinc/60/72/34/1033607234.db2.gz TYVRWQLYTKDYTO-GFCCVEGCSA-N 1 2 340.383 3.639 20 5 EHBDLO COC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)c1ccc(C)o1 ZINC000595013910 1033608045 /nfs/dbraw/zinc/60/80/45/1033608045.db2.gz RLYPGJNLTFANIT-DOMZBBRYSA-N 1 2 334.372 3.543 20 5 EHBDLO Cc1noc(C[N@@H+](C)[C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)c1[N+](=O)[O-] ZINC000595494435 1033832222 /nfs/dbraw/zinc/83/22/22/1033832222.db2.gz BMZWXAJAOBHNRM-HZPDHXFCSA-N 1 2 345.399 3.569 20 5 EHBDLO Cc1noc(C[N@H+](C)[C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)c1[N+](=O)[O-] ZINC000595494435 1033832226 /nfs/dbraw/zinc/83/22/26/1033832226.db2.gz BMZWXAJAOBHNRM-HZPDHXFCSA-N 1 2 345.399 3.569 20 5 EHBDLO CCOc1ccc([C@H](C)Nc2cc(COC)cc[nH+]2)cc1[N+](=O)[O-] ZINC000593724632 1033862393 /nfs/dbraw/zinc/86/23/93/1033862393.db2.gz DSOZCEDXSRGMET-LBPRGKRZSA-N 1 2 331.372 3.708 20 5 EHBDLO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H](c2ccccn2)C2CCC2)c(F)c1 ZINC000599573602 1034019222 /nfs/dbraw/zinc/01/92/22/1034019222.db2.gz JFPCTXJKFLDHIE-KRWDZBQOSA-N 1 2 333.338 3.899 20 5 EHBDLO Cc1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000597218602 1034600694 /nfs/dbraw/zinc/60/06/94/1034600694.db2.gz PJGGWVFCLLVAJI-SFHVURJKSA-N 1 2 342.395 3.850 20 5 EHBDLO Cc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000597218602 1034600703 /nfs/dbraw/zinc/60/07/03/1034600703.db2.gz PJGGWVFCLLVAJI-SFHVURJKSA-N 1 2 342.395 3.850 20 5 EHBDLO Cc1ccc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000597218601 1034601229 /nfs/dbraw/zinc/60/12/29/1034601229.db2.gz PJGGWVFCLLVAJI-GOSISDBHSA-N 1 2 342.395 3.850 20 5 EHBDLO Cc1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000597218601 1034601237 /nfs/dbraw/zinc/60/12/37/1034601237.db2.gz PJGGWVFCLLVAJI-GOSISDBHSA-N 1 2 342.395 3.850 20 5 EHBDLO Cc1ccc(C[NH2+]C(C)(C)c2cc(C(F)(F)F)on2)cc1[N+](=O)[O-] ZINC000492254620 1035545677 /nfs/dbraw/zinc/54/56/77/1035545677.db2.gz BYEDKPCKJVHWLI-UHFFFAOYSA-N 1 2 343.305 3.935 20 5 EHBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@H](C(F)(F)F)C2)c1 ZINC000590169346 1036784918 /nfs/dbraw/zinc/78/49/18/1036784918.db2.gz UFJLJVUDWXGAPR-VIFPVBQESA-N 1 2 342.239 3.998 20 5 EHBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@H](C(F)(F)F)C2)c1 ZINC000590169346 1036784934 /nfs/dbraw/zinc/78/49/34/1036784934.db2.gz UFJLJVUDWXGAPR-VIFPVBQESA-N 1 2 342.239 3.998 20 5 EHBDLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000045955636 1037632195 /nfs/dbraw/zinc/63/21/95/1037632195.db2.gz NUADUIMUNBDUFA-UHFFFAOYSA-N 1 2 342.742 3.686 20 5 EHBDLO CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000549928316 1037642792 /nfs/dbraw/zinc/64/27/92/1037642792.db2.gz OMMLZGYXXQPDQQ-CYBMUJFWSA-N 1 2 330.384 3.938 20 5 EHBDLO C[C@@H](C[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000897460712 1037847971 /nfs/dbraw/zinc/84/79/71/1037847971.db2.gz VCEZSLGTLBEKLY-SUMWQHHRSA-N 1 2 343.431 3.728 20 5 EHBDLO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000552924225 1039621844 /nfs/dbraw/zinc/62/18/44/1039621844.db2.gz BEBYVFOQAHJUFA-POZUXBRTSA-N 1 2 325.412 3.691 20 5 EHBDLO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000552924225 1039621864 /nfs/dbraw/zinc/62/18/64/1039621864.db2.gz BEBYVFOQAHJUFA-POZUXBRTSA-N 1 2 325.412 3.691 20 5 EHBDLO Cc1c(C[NH2+]Cc2ncc(C(F)(F)F)s2)cccc1[N+](=O)[O-] ZINC000433344291 1041308037 /nfs/dbraw/zinc/30/80/37/1041308037.db2.gz RDRLOSAFEQTJCR-UHFFFAOYSA-N 1 2 331.319 3.668 20 5 EHBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCCc4sccc4C3)nc2c1 ZINC000083171057 1127225031 /nfs/dbraw/zinc/22/50/31/1127225031.db2.gz GIOPEHKTCNKWNP-UHFFFAOYSA-N 1 2 329.381 3.746 20 5 EHBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCCc4sccc4C3)nc2c1 ZINC000083171057 1127225033 /nfs/dbraw/zinc/22/50/33/1127225033.db2.gz GIOPEHKTCNKWNP-UHFFFAOYSA-N 1 2 329.381 3.746 20 5 EHBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1OCCc2ccccc21 ZINC000734484721 1131240634 /nfs/dbraw/zinc/24/06/34/1131240634.db2.gz ZXFMQOGWIFHXGI-SFHVURJKSA-N 1 2 346.814 3.994 20 5 EHBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1OCCc2ccccc21 ZINC000734484721 1131240636 /nfs/dbraw/zinc/24/06/36/1131240636.db2.gz ZXFMQOGWIFHXGI-SFHVURJKSA-N 1 2 346.814 3.994 20 5 EHBDLO Cc1ncc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)s1 ZINC000113336005 1129002697 /nfs/dbraw/zinc/00/26/97/1129002697.db2.gz KFWRCFUCOLWUAB-UHFFFAOYSA-N 1 2 346.437 3.773 20 5 EHBDLO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000615836027 1123884320 /nfs/dbraw/zinc/88/43/20/1123884320.db2.gz HCDDJXOIXIMFDU-SCOADAFUSA-N 1 2 326.400 3.601 20 5 EHBDLO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000615836027 1123884325 /nfs/dbraw/zinc/88/43/25/1123884325.db2.gz HCDDJXOIXIMFDU-SCOADAFUSA-N 1 2 326.400 3.601 20 5 EHBDLO COc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000066851923 1129216447 /nfs/dbraw/zinc/21/64/47/1129216447.db2.gz XMLWJGHDOBPIIW-KUHUBIRLSA-N 1 2 342.395 3.565 20 5 EHBDLO COc1ccc(C[N@H+]2C[C@@H](c3ccccc3)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000066851923 1129216450 /nfs/dbraw/zinc/21/64/50/1129216450.db2.gz XMLWJGHDOBPIIW-KUHUBIRLSA-N 1 2 342.395 3.565 20 5 EHBDLO COc1cc(C[N@@H+]2C[C@@H](C)[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000093867490 1129606094 /nfs/dbraw/zinc/60/60/94/1129606094.db2.gz LETJSUZTAXLHLD-YJYMSZOUSA-N 1 2 342.395 3.805 20 5 EHBDLO COc1cc(C[N@H+]2C[C@@H](C)[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000093867490 1129606095 /nfs/dbraw/zinc/60/60/95/1129606095.db2.gz LETJSUZTAXLHLD-YJYMSZOUSA-N 1 2 342.395 3.805 20 5 EHBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000245446193 1130208384 /nfs/dbraw/zinc/20/83/84/1130208384.db2.gz ZOENFVFMFGQBDH-QWQRMKEZSA-N 1 2 339.395 3.615 20 5 EHBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000245446193 1130208387 /nfs/dbraw/zinc/20/83/87/1130208387.db2.gz ZOENFVFMFGQBDH-QWQRMKEZSA-N 1 2 339.395 3.615 20 5 EHBDLO CC1(F)CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC001175035666 1132545266 /nfs/dbraw/zinc/54/52/66/1132545266.db2.gz ISZJELIRRYFVLS-UHFFFAOYSA-N 1 2 331.185 3.681 20 5 EHBDLO CCc1ccc2c(c1)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC001177033911 1133019965 /nfs/dbraw/zinc/01/99/65/1133019965.db2.gz YXMXRNBHRGTGHB-UHFFFAOYSA-N 1 2 341.367 3.624 20 5 EHBDLO CCc1ccc2c(c1)C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC001177033911 1133019972 /nfs/dbraw/zinc/01/99/72/1133019972.db2.gz YXMXRNBHRGTGHB-UHFFFAOYSA-N 1 2 341.367 3.624 20 5 EHBDLO COc1c(O)ccc(C[N@H+](Cc2ccccc2F)C(C)C)c1[N+](=O)[O-] ZINC001179913938 1133305820 /nfs/dbraw/zinc/30/58/20/1133305820.db2.gz NSGSPHCOHKODBU-UHFFFAOYSA-N 1 2 348.374 3.859 20 5 EHBDLO COc1c(O)ccc(C[N@@H+](Cc2ccccc2F)C(C)C)c1[N+](=O)[O-] ZINC001179913938 1133305825 /nfs/dbraw/zinc/30/58/25/1133305825.db2.gz NSGSPHCOHKODBU-UHFFFAOYSA-N 1 2 348.374 3.859 20 5 EHBDLO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])Cc2ccccc21 ZINC000774884335 1134092361 /nfs/dbraw/zinc/09/23/61/1134092361.db2.gz KPKISHPNRGHEMZ-UHFFFAOYSA-N 1 2 341.367 3.796 20 5 EHBDLO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])Cc2ccccc21 ZINC000774884335 1134092369 /nfs/dbraw/zinc/09/23/69/1134092369.db2.gz KPKISHPNRGHEMZ-UHFFFAOYSA-N 1 2 341.367 3.796 20 5 EHBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CN1CC2(CCCC2)CC1=O ZINC000747452968 1135610065 /nfs/dbraw/zinc/61/00/65/1135610065.db2.gz CXZDDDNVUDRFEC-UHFFFAOYSA-N 1 2 345.443 3.555 20 5 EHBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)CN1CC2(CCCC2)CC1=O ZINC000747452968 1135610066 /nfs/dbraw/zinc/61/00/66/1135610066.db2.gz CXZDDDNVUDRFEC-UHFFFAOYSA-N 1 2 345.443 3.555 20 5 EHBDLO CO[C@]1(C)CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809997690 1135910509 /nfs/dbraw/zinc/91/05/09/1135910509.db2.gz DCXUDJYIMQDWBO-CQSZACIVSA-N 1 2 333.215 3.903 20 5 EHBDLO CO[C@]1(C)CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809997690 1135910511 /nfs/dbraw/zinc/91/05/11/1135910511.db2.gz DCXUDJYIMQDWBO-CQSZACIVSA-N 1 2 333.215 3.903 20 5 EHBDLO CO[C@@]1(C)CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809997689 1135910691 /nfs/dbraw/zinc/91/06/91/1135910691.db2.gz DCXUDJYIMQDWBO-AWEZNQCLSA-N 1 2 333.215 3.903 20 5 EHBDLO CO[C@@]1(C)CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809997689 1135910693 /nfs/dbraw/zinc/91/06/93/1135910693.db2.gz DCXUDJYIMQDWBO-AWEZNQCLSA-N 1 2 333.215 3.903 20 5 EHBDLO CC1CC[NH+](c2ccc(Nc3cc[nH]c(=O)c3[N+](=O)[O-])cc2)CC1 ZINC000853094029 1136508511 /nfs/dbraw/zinc/50/85/11/1136508511.db2.gz OLOUEIGLQQQVFP-UHFFFAOYSA-N 1 2 328.372 3.675 20 5 EHBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2cccc(O)c2Cl)c1 ZINC000815129828 1136554561 /nfs/dbraw/zinc/55/45/61/1136554561.db2.gz IMVHXTDVCACUIG-UHFFFAOYSA-N 1 2 327.167 3.897 20 5 EHBDLO Cc1ccc(OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(C)c1 ZINC000864107812 1137215442 /nfs/dbraw/zinc/21/54/42/1137215442.db2.gz YNJMHRMYPPARTB-UHFFFAOYSA-N 1 2 337.335 3.617 20 5 EHBDLO COC[C@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000872084819 1137570464 /nfs/dbraw/zinc/57/04/64/1137570464.db2.gz IMMBTHWTZKMVPH-WBMJQRKESA-N 1 2 348.374 3.781 20 5 EHBDLO Cc1c(C[NH2+]Cc2noc3c2CC(C)(C)CC3)cccc1[N+](=O)[O-] ZINC000873174701 1137592346 /nfs/dbraw/zinc/59/23/46/1137592346.db2.gz VBLWQRTXHYGIAZ-UHFFFAOYSA-N 1 2 329.400 3.696 20 5 EHBDLO CCC1(CC)CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000874626720 1137619400 /nfs/dbraw/zinc/61/94/00/1137619400.db2.gz FAIVZAYNFIUYAN-UHFFFAOYSA-N 1 2 342.399 3.575 20 5 EHBDLO CC(C)c1ccc(C[NH2+]C2(c3ncccn3)CCC2)cc1[N+](=O)[O-] ZINC000883308346 1137853830 /nfs/dbraw/zinc/85/38/30/1137853830.db2.gz NENKUTLHNREGCJ-UHFFFAOYSA-N 1 2 326.400 3.677 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000117352059 1137929954 /nfs/dbraw/zinc/92/99/54/1137929954.db2.gz AWJQNVYSFAMJPX-UHFFFAOYSA-N 1 2 342.239 3.912 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000117352059 1137929955 /nfs/dbraw/zinc/92/99/55/1137929955.db2.gz AWJQNVYSFAMJPX-UHFFFAOYSA-N 1 2 342.239 3.912 20 5 EHBDLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000136756352 1138041762 /nfs/dbraw/zinc/04/17/62/1138041762.db2.gz LJNOGMPQWSLVMD-UHFFFAOYSA-N 1 2 342.742 3.891 20 5 EHBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cc(F)ccc1OC ZINC000122425470 1138258033 /nfs/dbraw/zinc/25/80/33/1138258033.db2.gz XYWHHHWXVIAZFT-NSHDSACASA-N 1 2 334.347 3.602 20 5 EHBDLO COc1cc(C[N@@H+]2CCc3cccc(C)c3C2)c([N+](=O)[O-])cc1F ZINC000429568988 1139275795 /nfs/dbraw/zinc/27/57/95/1139275795.db2.gz RIMMBZXWYZRGGM-UHFFFAOYSA-N 1 2 330.359 3.609 20 5 EHBDLO COc1cc(C[N@H+]2CCc3cccc(C)c3C2)c([N+](=O)[O-])cc1F ZINC000429568988 1139275800 /nfs/dbraw/zinc/27/58/00/1139275800.db2.gz RIMMBZXWYZRGGM-UHFFFAOYSA-N 1 2 330.359 3.609 20 5 EHBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1nc2c(s1)CCCC2 ZINC000179424118 1139756226 /nfs/dbraw/zinc/75/62/26/1139756226.db2.gz ZXEASGQCXLDTDZ-NSHDSACASA-N 1 2 347.440 3.790 20 5 EHBDLO COC(=O)[C@@H](C)Sc1nc2ccccc2c2[nH+]c3ccccc3n21 ZINC000004246588 210150957 /nfs/dbraw/zinc/15/09/57/210150957.db2.gz KTJAYSAVHWEEIL-LLVKDONJSA-N 1 2 337.404 3.689 20 5 EHBDLO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000070696047 201168896 /nfs/dbraw/zinc/16/88/96/201168896.db2.gz HZXUJHYGIPXKSH-AUUYWEPGSA-N 1 2 342.395 3.565 20 5 EHBDLO COc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000070696047 201168901 /nfs/dbraw/zinc/16/89/01/201168901.db2.gz HZXUJHYGIPXKSH-AUUYWEPGSA-N 1 2 342.395 3.565 20 5 EHBDLO CSc1ccc(C(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1[N+](=O)[O-] ZINC000339273796 1014140721 /nfs/dbraw/zinc/14/07/21/1014140721.db2.gz ZPDOYQXOMILWHB-UHFFFAOYSA-N 1 2 342.380 3.525 20 5 EHBDLO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000274590382 1014286009 /nfs/dbraw/zinc/28/60/09/1014286009.db2.gz JYHTWVFKOXZIJP-QMMMGPOBSA-N 1 2 331.319 3.921 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](c1ncc(C)s1)C1CC1 ZINC000430211678 1014990382 /nfs/dbraw/zinc/99/03/82/1014990382.db2.gz JUBLVCUUENOKLJ-OAHLLOKOSA-N 1 2 333.413 3.609 20 5 EHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000584438765 1032587918 /nfs/dbraw/zinc/58/79/18/1032587918.db2.gz NNJADRPQDUBQAX-MSOLQXFVSA-N 1 2 348.443 3.771 20 5 EHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000584438765 1032587928 /nfs/dbraw/zinc/58/79/28/1032587928.db2.gz NNJADRPQDUBQAX-MSOLQXFVSA-N 1 2 348.443 3.771 20 5 EHBDLO Cc1ccc([C@H](C)[NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000182340683 1019326183 /nfs/dbraw/zinc/32/61/83/1019326183.db2.gz UTEHPPKEFIRSNR-ZDUSSCGKSA-N 1 2 338.367 3.804 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000182827664 1019757655 /nfs/dbraw/zinc/75/76/55/1019757655.db2.gz VAMXPLDYNZNZHI-STQMWFEESA-N 1 2 345.365 3.533 20 5 EHBDLO Cc1c(C[N@H+]2[C@H](c3ccccc3)COC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000501081103 1020697893 /nfs/dbraw/zinc/69/78/93/1020697893.db2.gz OMRNBJKWHTZVOF-LIRRHRJNSA-N 1 2 326.396 3.865 20 5 EHBDLO Cc1c(C[N@@H+]2[C@H](c3ccccc3)COC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000501081103 1020697898 /nfs/dbraw/zinc/69/78/98/1020697898.db2.gz OMRNBJKWHTZVOF-LIRRHRJNSA-N 1 2 326.396 3.865 20 5 EHBDLO O=C(C[NH+]1C2CCCC1CCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000610395068 1020853648 /nfs/dbraw/zinc/85/36/48/1020853648.db2.gz YGHWURPLMXDCHL-UHFFFAOYSA-N 1 2 337.807 3.594 20 5 EHBDLO Cc1nnsc1C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000426300755 1021211175 /nfs/dbraw/zinc/21/11/75/1021211175.db2.gz JDSKNYDLENHGMO-QGZVFWFLSA-N 1 2 340.408 3.634 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccnn2C2CCC2)C2CC2)cc1 ZINC000891623182 1022136038 /nfs/dbraw/zinc/13/60/38/1022136038.db2.gz NAAZPOFUSPVEOK-UHFFFAOYSA-N 1 2 326.400 3.681 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccnn2C2CCC2)C2CC2)cc1 ZINC000891623182 1022136042 /nfs/dbraw/zinc/13/60/42/1022136042.db2.gz NAAZPOFUSPVEOK-UHFFFAOYSA-N 1 2 326.400 3.681 20 5 EHBDLO Cc1ccoc1C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602671871 1033051239 /nfs/dbraw/zinc/05/12/39/1033051239.db2.gz LXFFOZKHXOMPFY-UHFFFAOYSA-N 1 2 331.191 3.610 20 5 EHBDLO Cc1ccc(C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C2CC2)o1 ZINC000610581315 1022786189 /nfs/dbraw/zinc/78/61/89/1022786189.db2.gz XKDIHVVFVMKSFT-UHFFFAOYSA-N 1 2 327.340 3.802 20 5 EHBDLO Cc1ccc(C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C2CC2)o1 ZINC000610581315 1022786199 /nfs/dbraw/zinc/78/61/99/1022786199.db2.gz XKDIHVVFVMKSFT-UHFFFAOYSA-N 1 2 327.340 3.802 20 5 EHBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cnn(-c2ccccc2)c1)C1CC1 ZINC000215664195 1023943588 /nfs/dbraw/zinc/94/35/88/1023943588.db2.gz NJEVAJJYVOZVCR-UHFFFAOYSA-N 1 2 348.406 3.945 20 5 EHBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cnn(-c2ccccc2)c1)C1CC1 ZINC000215664195 1023943592 /nfs/dbraw/zinc/94/35/92/1023943592.db2.gz NJEVAJJYVOZVCR-UHFFFAOYSA-N 1 2 348.406 3.945 20 5 EHBDLO CC(C)c1ccc(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000520600163 1024211858 /nfs/dbraw/zinc/21/18/58/1024211858.db2.gz GMWQQZNNNBJHNE-RBUKOAKNSA-N 1 2 330.428 3.862 20 5 EHBDLO CC(C)c1ccc(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000520600163 1024211870 /nfs/dbraw/zinc/21/18/70/1024211870.db2.gz GMWQQZNNNBJHNE-RBUKOAKNSA-N 1 2 330.428 3.862 20 5 EHBDLO Cc1ncc([C@H](C)[NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)s1 ZINC000602958573 1033279291 /nfs/dbraw/zinc/27/92/91/1033279291.db2.gz YAIABARUTBRUME-JTQLQIEISA-N 1 2 344.396 3.866 20 5 EHBDLO CCO[C@H](C)c1nc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000451102550 1025563370 /nfs/dbraw/zinc/56/33/70/1025563370.db2.gz DDUSNDKZCHPZPH-NWDGAFQWSA-N 1 2 335.429 4.000 20 5 EHBDLO C[C@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000451413853 1025945189 /nfs/dbraw/zinc/94/51/89/1025945189.db2.gz ZGHLIYAVIGXOQZ-VHSXEESVSA-N 1 2 342.321 3.634 20 5 EHBDLO C[C@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000451413853 1025945204 /nfs/dbraw/zinc/94/52/04/1025945204.db2.gz ZGHLIYAVIGXOQZ-VHSXEESVSA-N 1 2 342.321 3.634 20 5 EHBDLO CCC(=O)c1ccc(N2CCC[C@H]2c2[nH]c(C)c(C)[nH+]2)c([N+](=O)[O-])c1 ZINC000895193792 1026088925 /nfs/dbraw/zinc/08/89/25/1026088925.db2.gz TVROCJHVBZIWPF-HNNXBMFYSA-N 1 2 342.399 3.869 20 5 EHBDLO O=[N+]([O-])c1cccc(F)c1C[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000342541339 1026194039 /nfs/dbraw/zinc/19/40/39/1026194039.db2.gz DDSKVDXPJZINOS-UHFFFAOYSA-N 1 2 343.383 3.943 20 5 EHBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000531452634 1026946147 /nfs/dbraw/zinc/94/61/47/1026946147.db2.gz GOOLSZHICQDQOW-HNNXBMFYSA-N 1 2 348.406 3.900 20 5 EHBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000531452634 1026946153 /nfs/dbraw/zinc/94/61/53/1026946153.db2.gz GOOLSZHICQDQOW-HNNXBMFYSA-N 1 2 348.406 3.900 20 5 EHBDLO Cc1c(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)cccc1[N+](=O)[O-] ZINC000545691389 1027387673 /nfs/dbraw/zinc/38/76/73/1027387673.db2.gz XBCBFKMTTLRBBW-UHFFFAOYSA-N 1 2 347.334 3.806 20 5 EHBDLO O=[N+]([O-])c1cc(CNc2ccc(N3CCCC3)[nH+]c2)ccc1Cl ZINC000163247272 1027530421 /nfs/dbraw/zinc/53/04/21/1027530421.db2.gz QTURUIJFIDMMHQ-UHFFFAOYSA-N 1 2 332.791 3.856 20 5 EHBDLO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(F)c1F ZINC000444684249 1028157404 /nfs/dbraw/zinc/15/74/04/1028157404.db2.gz KXUJVLSYAXYSQY-VIFPVBQESA-N 1 2 332.310 3.600 20 5 EHBDLO C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000072905473 1028527575 /nfs/dbraw/zinc/52/75/75/1028527575.db2.gz IIQKRALGGOGSJY-CJNGLKHVSA-N 1 2 343.383 3.600 20 5 EHBDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000072905473 1028527588 /nfs/dbraw/zinc/52/75/88/1028527588.db2.gz IIQKRALGGOGSJY-CJNGLKHVSA-N 1 2 343.383 3.600 20 5 EHBDLO O=[N+]([O-])c1cc(Cl)c(NCCCCn2cc[nH+]c2)c(Cl)c1 ZINC000228860864 1029175073 /nfs/dbraw/zinc/17/50/73/1029175073.db2.gz PDMQXMMERVJPSV-UHFFFAOYSA-N 1 2 329.187 3.990 20 5 EHBDLO COC(=O)c1ccc(C[N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000533035822 1029213551 /nfs/dbraw/zinc/21/35/51/1029213551.db2.gz IQJPLCPCSJACRD-UHFFFAOYSA-N 1 2 348.786 3.667 20 5 EHBDLO COC(=O)c1ccc(C[N@@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000533035822 1029213571 /nfs/dbraw/zinc/21/35/71/1029213571.db2.gz IQJPLCPCSJACRD-UHFFFAOYSA-N 1 2 348.786 3.667 20 5 EHBDLO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000429719382 1030373994 /nfs/dbraw/zinc/37/39/94/1030373994.db2.gz KQUYFUPJZCUQAV-QGZVFWFLSA-N 1 2 328.368 3.646 20 5 EHBDLO COc1ccc([C@H]2CCC[N@H+]2Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000429719382 1030374009 /nfs/dbraw/zinc/37/40/09/1030374009.db2.gz KQUYFUPJZCUQAV-QGZVFWFLSA-N 1 2 328.368 3.646 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cccnc1OC(C)C ZINC000595011261 1033605459 /nfs/dbraw/zinc/60/54/59/1033605459.db2.gz KVDIMMJXLIJTEA-ZDUSSCGKSA-N 1 2 345.399 3.636 20 5 EHBDLO Cc1noc(C[N@H+]2CCS[C@H](C)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595320154 1033740710 /nfs/dbraw/zinc/74/07/10/1033740710.db2.gz DVDHSQGHVBNXPC-MLGOLLRUSA-N 1 2 333.413 3.570 20 5 EHBDLO Cc1noc(C[N@@H+]2CCS[C@H](C)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595320154 1033740724 /nfs/dbraw/zinc/74/07/24/1033740724.db2.gz DVDHSQGHVBNXPC-MLGOLLRUSA-N 1 2 333.413 3.570 20 5 EHBDLO Cc1noc(C[N@H+]2CCS[C@H](C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595320155 1033741046 /nfs/dbraw/zinc/74/10/46/1033741046.db2.gz DVDHSQGHVBNXPC-WBMJQRKESA-N 1 2 333.413 3.570 20 5 EHBDLO Cc1noc(C[N@@H+]2CCS[C@H](C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595320155 1033741066 /nfs/dbraw/zinc/74/10/66/1033741066.db2.gz DVDHSQGHVBNXPC-WBMJQRKESA-N 1 2 333.413 3.570 20 5 EHBDLO Cc1noc(C[N@H+]2CC=C(c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000595392847 1033786956 /nfs/dbraw/zinc/78/69/56/1033786956.db2.gz QYYLAKCKRHXTLI-UHFFFAOYSA-N 1 2 333.775 3.834 20 5 EHBDLO Cc1noc(C[N@@H+]2CC=C(c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000595392847 1033786965 /nfs/dbraw/zinc/78/69/65/1033786965.db2.gz QYYLAKCKRHXTLI-UHFFFAOYSA-N 1 2 333.775 3.834 20 5 EHBDLO Cc1noc(C[N@H+]2CC=C(c3cccc(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000595465023 1033818977 /nfs/dbraw/zinc/81/89/77/1033818977.db2.gz LWUUCXXHRHUIHO-UHFFFAOYSA-N 1 2 333.775 3.834 20 5 EHBDLO Cc1noc(C[N@@H+]2CC=C(c3cccc(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000595465023 1033818994 /nfs/dbraw/zinc/81/89/94/1033818994.db2.gz LWUUCXXHRHUIHO-UHFFFAOYSA-N 1 2 333.775 3.834 20 5 EHBDLO CC[C@@H](OCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000593021993 1033838435 /nfs/dbraw/zinc/83/84/35/1033838435.db2.gz SBOOIGGDFLWHMK-LJQANCHMSA-N 1 2 341.411 3.516 20 5 EHBDLO CC[C@@H](OCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000593021993 1033838446 /nfs/dbraw/zinc/83/84/46/1033838446.db2.gz SBOOIGGDFLWHMK-LJQANCHMSA-N 1 2 341.411 3.516 20 5 EHBDLO C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC1=CCSC1 ZINC000597246510 1034638543 /nfs/dbraw/zinc/63/85/43/1034638543.db2.gz VKOXBIWIVUNNGT-UHFFFAOYSA-N 1 2 347.465 3.823 20 5 EHBDLO C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC1=CCSC1 ZINC000597246510 1034638553 /nfs/dbraw/zinc/63/85/53/1034638553.db2.gz VKOXBIWIVUNNGT-UHFFFAOYSA-N 1 2 347.465 3.823 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1COc2cc(F)cc(F)c21 ZINC000612422662 1034913797 /nfs/dbraw/zinc/91/37/97/1034913797.db2.gz REYCKGQZUSRZSB-ZUZCIYMTSA-N 1 2 334.322 3.966 20 5 EHBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411928038 1035078418 /nfs/dbraw/zinc/07/84/18/1035078418.db2.gz UDQKYXPRLWHCSM-GUYCJALGSA-N 1 2 332.787 3.556 20 5 EHBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411928038 1035078424 /nfs/dbraw/zinc/07/84/24/1035078424.db2.gz UDQKYXPRLWHCSM-GUYCJALGSA-N 1 2 332.787 3.556 20 5 EHBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000572804023 1036501877 /nfs/dbraw/zinc/50/18/77/1036501877.db2.gz MXCOGPZLTQRZQP-CVEARBPZSA-N 1 2 336.819 3.782 20 5 EHBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000572804023 1036501888 /nfs/dbraw/zinc/50/18/88/1036501888.db2.gz MXCOGPZLTQRZQP-CVEARBPZSA-N 1 2 336.819 3.782 20 5 EHBDLO COc1cc(C[N@@H+]2CCc3ccccc3[C@H]2C)c([N+](=O)[O-])cc1F ZINC000464686531 1036667621 /nfs/dbraw/zinc/66/76/21/1036667621.db2.gz CUHCDTSGSVWWID-GFCCVEGCSA-N 1 2 330.359 3.862 20 5 EHBDLO COc1cc(C[N@H+]2CCc3ccccc3[C@H]2C)c([N+](=O)[O-])cc1F ZINC000464686531 1036667632 /nfs/dbraw/zinc/66/76/32/1036667632.db2.gz CUHCDTSGSVWWID-GFCCVEGCSA-N 1 2 330.359 3.862 20 5 EHBDLO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000539827040 1037253324 /nfs/dbraw/zinc/25/33/24/1037253324.db2.gz UJJBLBRXERHNDY-IBGZPJMESA-N 1 2 326.396 3.785 20 5 EHBDLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000539827040 1037253328 /nfs/dbraw/zinc/25/33/28/1037253328.db2.gz UJJBLBRXERHNDY-IBGZPJMESA-N 1 2 326.396 3.785 20 5 EHBDLO Cc1cc(C)cc(OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000912713134 1040143966 /nfs/dbraw/zinc/14/39/66/1040143966.db2.gz QLJPUWHKBHETCY-UHFFFAOYSA-N 1 2 337.335 3.617 20 5 EHBDLO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)[nH]1 ZINC000278835059 1041072820 /nfs/dbraw/zinc/07/28/20/1041072820.db2.gz UKEPNYZAFWXCBD-MQIPJXDCSA-N 1 2 343.431 3.955 20 5 EHBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H]3c3ccc(F)cc3)nc2c1 ZINC000344694027 1044290921 /nfs/dbraw/zinc/29/09/21/1044290921.db2.gz AGWAAVGYIJCWGA-KRWDZBQOSA-N 1 2 340.358 3.947 20 5 EHBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H]3c3ccc(F)cc3)nc2c1 ZINC000344694027 1044290934 /nfs/dbraw/zinc/29/09/34/1044290934.db2.gz AGWAAVGYIJCWGA-KRWDZBQOSA-N 1 2 340.358 3.947 20 5 EHBDLO CC(C)[N@H+](Cc1nc(-c2ccoc2)no1)Cc1ccc([N+](=O)[O-])cc1 ZINC000170939052 1127744101 /nfs/dbraw/zinc/74/41/01/1127744101.db2.gz NHJXSYSTEDQJEN-UHFFFAOYSA-N 1 2 342.355 3.648 20 5 EHBDLO CC(C)[N@@H+](Cc1nc(-c2ccoc2)no1)Cc1ccc([N+](=O)[O-])cc1 ZINC000170939052 1127744106 /nfs/dbraw/zinc/74/41/06/1127744106.db2.gz NHJXSYSTEDQJEN-UHFFFAOYSA-N 1 2 342.355 3.648 20 5 EHBDLO Cc1cc(NCCc2cn3ccccc3[nH+]2)c(Cl)cc1[N+](=O)[O-] ZINC000301453633 1128345459 /nfs/dbraw/zinc/34/54/59/1128345459.db2.gz VNGOQBJPYVEEKD-UHFFFAOYSA-N 1 2 330.775 3.859 20 5 EHBDLO CN(C)c1ccc([NH+]2CCC(Nc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000301474130 1128468493 /nfs/dbraw/zinc/46/84/93/1128468493.db2.gz VJSVMVHRYXSSHI-UHFFFAOYSA-N 1 2 340.427 3.742 20 5 EHBDLO COC(=O)c1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000542929204 1128859477 /nfs/dbraw/zinc/85/94/77/1128859477.db2.gz YOUNIMDXBQVFSG-UHFFFAOYSA-N 1 2 348.786 3.667 20 5 EHBDLO COC(=O)c1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000542929204 1128859482 /nfs/dbraw/zinc/85/94/82/1128859482.db2.gz YOUNIMDXBQVFSG-UHFFFAOYSA-N 1 2 348.786 3.667 20 5 EHBDLO CCOc1cccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000154311453 1122551648 /nfs/dbraw/zinc/55/16/48/1122551648.db2.gz DXHXAKVRFLASGR-UHFFFAOYSA-N 1 2 327.384 3.553 20 5 EHBDLO CCOc1cccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000154311453 1122551653 /nfs/dbraw/zinc/55/16/53/1122551653.db2.gz DXHXAKVRFLASGR-UHFFFAOYSA-N 1 2 327.384 3.553 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000763433561 1122992254 /nfs/dbraw/zinc/99/22/54/1122992254.db2.gz KYFKVWZLSQFJHP-IBGZPJMESA-N 1 2 342.395 3.558 20 5 EHBDLO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])s1)c1c(F)cccc1F ZINC000609670977 1123639511 /nfs/dbraw/zinc/63/95/11/1123639511.db2.gz YMFVVUKNARMZOS-NSHDSACASA-N 1 2 327.356 3.649 20 5 EHBDLO O=[N+]([O-])c1cnc(NCc2ccc(Cn3cc[nH+]c3)cc2)c(Cl)c1 ZINC000301252480 1124931739 /nfs/dbraw/zinc/93/17/39/1124931739.db2.gz BYZKRSWLJJKFKP-UHFFFAOYSA-N 1 2 343.774 3.500 20 5 EHBDLO CC(C)c1ccc(C[NH2+]Cc2nc(CN(C)C)cs2)cc1[N+](=O)[O-] ZINC000922491951 1129553537 /nfs/dbraw/zinc/55/35/37/1129553537.db2.gz WJXMCCRHQJSFEQ-UHFFFAOYSA-N 1 2 348.472 3.526 20 5 EHBDLO C[C@@H]([NH2+]Cc1ccn(-c2ccccc2F)n1)c1cccc([N+](=O)[O-])c1 ZINC000173360758 1130216528 /nfs/dbraw/zinc/21/65/28/1130216528.db2.gz QLRMFOWEWIMPKE-CYBMUJFWSA-N 1 2 340.358 3.770 20 5 EHBDLO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@H](CF)C(F)(F)C1)CC2 ZINC001172909615 1131916407 /nfs/dbraw/zinc/91/64/07/1131916407.db2.gz UBINKBFAXYYCST-HUUCEWRRSA-N 1 2 342.361 3.769 20 5 EHBDLO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CC[C@H](CF)C(F)(F)C1)CC2 ZINC001172909615 1131916411 /nfs/dbraw/zinc/91/64/11/1131916411.db2.gz UBINKBFAXYYCST-HUUCEWRRSA-N 1 2 342.361 3.769 20 5 EHBDLO C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000746386588 1132506492 /nfs/dbraw/zinc/50/64/92/1132506492.db2.gz UYIUXHYIBNKDJR-UHFFFAOYSA-N 1 2 348.786 3.651 20 5 EHBDLO C[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000746386588 1132506499 /nfs/dbraw/zinc/50/64/99/1132506499.db2.gz UYIUXHYIBNKDJR-UHFFFAOYSA-N 1 2 348.786 3.651 20 5 EHBDLO COCC[N@H+](Cc1ccc(C)c(C)c1)Cc1ccc([N+](=O)[O-])cc1F ZINC001176201300 1132870266 /nfs/dbraw/zinc/87/02/66/1132870266.db2.gz GLJDQEMXOOKNKI-UHFFFAOYSA-N 1 2 346.402 3.999 20 5 EHBDLO COCC[N@@H+](Cc1ccc(C)c(C)c1)Cc1ccc([N+](=O)[O-])cc1F ZINC001176201300 1132870276 /nfs/dbraw/zinc/87/02/76/1132870276.db2.gz GLJDQEMXOOKNKI-UHFFFAOYSA-N 1 2 346.402 3.999 20 5 EHBDLO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccn(-c2ccccc2)n1 ZINC000768919035 1133203079 /nfs/dbraw/zinc/20/30/79/1133203079.db2.gz OUUULOJJJQBTJI-VQHVLOKHSA-N 1 2 348.406 3.926 20 5 EHBDLO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccn(-c2ccccc2)n1 ZINC000768919035 1133203083 /nfs/dbraw/zinc/20/30/83/1133203083.db2.gz OUUULOJJJQBTJI-VQHVLOKHSA-N 1 2 348.406 3.926 20 5 EHBDLO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nnc(-c2ccccc2)[nH]1 ZINC000786813687 1133910133 /nfs/dbraw/zinc/91/01/33/1133910133.db2.gz MBHQGGXUALONLZ-GXDHUFHOSA-N 1 2 349.394 3.573 20 5 EHBDLO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nc(-c2ccccc2)n[nH]1 ZINC000786813687 1133910138 /nfs/dbraw/zinc/91/01/38/1133910138.db2.gz MBHQGGXUALONLZ-GXDHUFHOSA-N 1 2 349.394 3.573 20 5 EHBDLO C[C@@H]([NH2+]Cc1nnc(-c2cccc(F)c2)o1)c1cccc([N+](=O)[O-])c1 ZINC000775186501 1134492811 /nfs/dbraw/zinc/49/28/11/1134492811.db2.gz GVRNAQGPEDCAHX-LLVKDONJSA-N 1 2 342.330 3.635 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)ccc1Cl ZINC000810093567 1135920305 /nfs/dbraw/zinc/92/03/05/1135920305.db2.gz OCYLLNWFZZDZNT-JKSUJKDBSA-N 1 2 336.819 3.782 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)ccc1Cl ZINC000810093567 1135920307 /nfs/dbraw/zinc/92/03/07/1135920307.db2.gz OCYLLNWFZZDZNT-JKSUJKDBSA-N 1 2 336.819 3.782 20 5 EHBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC000810093346 1135920899 /nfs/dbraw/zinc/92/08/99/1135920899.db2.gz MTYSBTGODGYVEM-HZPDHXFCSA-N 1 2 336.819 3.782 20 5 EHBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC000810093346 1135920901 /nfs/dbraw/zinc/92/09/01/1135920901.db2.gz MTYSBTGODGYVEM-HZPDHXFCSA-N 1 2 336.819 3.782 20 5 EHBDLO C[C@H]1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000820677018 1137000760 /nfs/dbraw/zinc/00/07/60/1137000760.db2.gz SEQXAJCXAMLNFF-NHYWBVRUSA-N 1 2 336.342 3.816 20 5 EHBDLO C[C@H]1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000820677019 1137000776 /nfs/dbraw/zinc/00/07/76/1137000776.db2.gz SEQXAJCXAMLNFF-XHDPSFHLSA-N 1 2 336.342 3.816 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H]1Cc1cc(F)ccc1F ZINC001171280063 1137392179 /nfs/dbraw/zinc/39/21/79/1137392179.db2.gz ZEKGCFZSNKJUSA-OAHLLOKOSA-N 1 2 348.349 3.786 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H]1Cc1cc(F)ccc1F ZINC001171280063 1137392180 /nfs/dbraw/zinc/39/21/80/1137392180.db2.gz ZEKGCFZSNKJUSA-OAHLLOKOSA-N 1 2 348.349 3.786 20 5 EHBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)[nH+]cc1C ZINC000543735296 1137428286 /nfs/dbraw/zinc/42/82/86/1137428286.db2.gz MEBINEAUENZBHC-UHFFFAOYSA-N 1 2 345.424 3.783 20 5 EHBDLO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc2ncsc2c1 ZINC000339091804 1137457284 /nfs/dbraw/zinc/45/72/84/1137457284.db2.gz ULSFHDFKIZZJSQ-JTQLQIEISA-N 1 2 329.381 3.761 20 5 EHBDLO C[C@H]([NH2+]Cc1ncc(Br)s1)c1cccc([N+](=O)[O-])c1 ZINC000714068547 1137471806 /nfs/dbraw/zinc/47/18/06/1137471806.db2.gz TVHKUXRCXOXYAN-QMMMGPOBSA-N 1 2 342.218 3.665 20 5 EHBDLO C[C@H]([NH2+]C1(c2ccc3c(c2)OCO3)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872054905 1137568416 /nfs/dbraw/zinc/56/84/16/1137568416.db2.gz DIBDLUUGMALXMM-NSHDSACASA-N 1 2 344.342 3.803 20 5 EHBDLO C[C@@H]([NH2+]Cc1ccnc(C(F)(F)F)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872075084 1137569869 /nfs/dbraw/zinc/56/98/69/1137569869.db2.gz NSIUDYIBXZKASU-SECBINFHSA-N 1 2 343.280 3.999 20 5 EHBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@H](O)C[C@@H]2c2ccccc2)c1 ZINC000877674961 1137685352 /nfs/dbraw/zinc/68/53/52/1137685352.db2.gz YCHUWRWITYDSGB-SJLPKXTDSA-N 1 2 346.814 3.946 20 5 EHBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@H](O)C[C@@H]2c2ccccc2)c1 ZINC000877674961 1137685353 /nfs/dbraw/zinc/68/53/53/1137685353.db2.gz YCHUWRWITYDSGB-SJLPKXTDSA-N 1 2 346.814 3.946 20 5 EHBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1csc([N+](=O)[O-])c1 ZINC000338370408 1138863956 /nfs/dbraw/zinc/86/39/56/1138863956.db2.gz KXHLRPPULZKXCX-UHFFFAOYSA-N 1 2 348.771 3.748 20 5 EHBDLO COc1cc(C[NH2+][C@@H](C)c2ccc(F)cc2F)c([N+](=O)[O-])cc1F ZINC000184298505 1140093584 /nfs/dbraw/zinc/09/35/84/1140093584.db2.gz ISSNXTKXQWWTEW-VIFPVBQESA-N 1 2 340.301 3.872 20 5 EHBDLO O=[N+]([O-])c1ccc(N2CCC(n3cc[nH+]c3)CC2)cc1C(F)(F)F ZINC000266959614 1140743998 /nfs/dbraw/zinc/74/39/98/1140743998.db2.gz HLUJSZDVSQGHMG-UHFFFAOYSA-N 1 2 340.305 3.652 20 5 EHBDLO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000134504078 1015574048 /nfs/dbraw/zinc/57/40/48/1015574048.db2.gz MMOUKXQRMKPMBN-HNNXBMFYSA-N 1 2 332.375 3.507 20 5 EHBDLO CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000134504078 1015574059 /nfs/dbraw/zinc/57/40/59/1015574059.db2.gz MMOUKXQRMKPMBN-HNNXBMFYSA-N 1 2 332.375 3.507 20 5 EHBDLO Cc1nc(C2([NH2+]C/C=C\c3ccccc3[N+](=O)[O-])CCCCC2)no1 ZINC000538401740 1032330003 /nfs/dbraw/zinc/33/00/03/1032330003.db2.gz AHYBOXXCYSCCGI-CLFYSBASSA-N 1 2 342.399 3.749 20 5 EHBDLO CCCCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H](C)CC ZINC000073287961 1019065484 /nfs/dbraw/zinc/06/54/84/1019065484.db2.gz FCSWURKEOGAVJE-CQSZACIVSA-N 1 2 344.415 3.821 20 5 EHBDLO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])c1 ZINC000182545360 1019709285 /nfs/dbraw/zinc/70/92/85/1019709285.db2.gz HPWZLUVLQPETLK-LLVKDONJSA-N 1 2 331.347 3.543 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN([C@H](C)C(F)(F)F)CC1 ZINC000182827702 1019757321 /nfs/dbraw/zinc/75/73/21/1019757321.db2.gz VAMXPLDYNZNZHI-QWHCGFSZSA-N 1 2 345.365 3.533 20 5 EHBDLO C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1nc(C(C)(C)C)no1 ZINC000255642514 1019761523 /nfs/dbraw/zinc/76/15/23/1019761523.db2.gz IKPKWODTNKJFHK-UPZNUWHASA-N 1 2 330.388 3.639 20 5 EHBDLO Cc1cnc(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000602547829 1032955309 /nfs/dbraw/zinc/95/53/09/1032955309.db2.gz PULIXTUKSOQMSN-UHFFFAOYSA-N 1 2 331.319 3.668 20 5 EHBDLO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1Cl ZINC000051120907 1021178065 /nfs/dbraw/zinc/17/80/65/1021178065.db2.gz CMXJLBVWCVSBEA-SNVBAGLBSA-N 1 2 330.775 3.975 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(COc2ccccc2)CC1 ZINC000519644690 1021594628 /nfs/dbraw/zinc/59/46/28/1021594628.db2.gz DTXUXUHGDCIAIE-UHFFFAOYSA-N 1 2 342.395 3.591 20 5 EHBDLO CCO[C@@H]1C[C@H]1[NH2+][C@@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000517675277 1022538211 /nfs/dbraw/zinc/53/82/11/1022538211.db2.gz KJFFZTVCTFFGLT-KBAYOESNSA-N 1 2 330.384 3.607 20 5 EHBDLO COc1cc(C[N@H+](Cc2cccs2)C2CC2)c([N+](=O)[O-])cc1F ZINC000184229541 1022588413 /nfs/dbraw/zinc/58/84/13/1022588413.db2.gz CXGLCOASVVTJCE-UHFFFAOYSA-N 1 2 336.388 3.969 20 5 EHBDLO COc1cc(C[N@@H+](Cc2cccs2)C2CC2)c([N+](=O)[O-])cc1F ZINC000184229541 1022588417 /nfs/dbraw/zinc/58/84/17/1022588417.db2.gz CXGLCOASVVTJCE-UHFFFAOYSA-N 1 2 336.388 3.969 20 5 EHBDLO CC1(C)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@](C)(C(F)(F)F)O1 ZINC000550239595 1022830687 /nfs/dbraw/zinc/83/06/87/1022830687.db2.gz SSKZYULSHOFFGG-HNNXBMFYSA-N 1 2 346.349 3.569 20 5 EHBDLO CC1(C)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@](C)(C(F)(F)F)O1 ZINC000550239595 1022830707 /nfs/dbraw/zinc/83/07/07/1022830707.db2.gz SSKZYULSHOFFGG-HNNXBMFYSA-N 1 2 346.349 3.569 20 5 EHBDLO COc1cc2c(c(C[N@H+](C)Cc3ccccc3[N+](=O)[O-])c1)O[C@H](C)C2 ZINC000507131617 1023144357 /nfs/dbraw/zinc/14/43/57/1023144357.db2.gz CSUOGIIZZVQWFW-CYBMUJFWSA-N 1 2 342.395 3.559 20 5 EHBDLO COc1cc2c(c(C[N@@H+](C)Cc3ccccc3[N+](=O)[O-])c1)O[C@H](C)C2 ZINC000507131617 1023144359 /nfs/dbraw/zinc/14/43/59/1023144359.db2.gz CSUOGIIZZVQWFW-CYBMUJFWSA-N 1 2 342.395 3.559 20 5 EHBDLO Cc1cc(Nc2cccnc2[N+](=O)[O-])c[nH+]c1N1CCCC[C@@H]1C ZINC000611540156 1027038905 /nfs/dbraw/zinc/03/89/05/1027038905.db2.gz KPNYRNMRGQOAFW-ZDUSSCGKSA-N 1 2 327.388 3.816 20 5 EHBDLO O=[N+]([O-])c1ccc2nc(NCCc3cn4ccccc4[nH+]3)sc2c1 ZINC000729630478 1027358077 /nfs/dbraw/zinc/35/80/77/1027358077.db2.gz PYNVKEAUGQBPHJ-UHFFFAOYSA-N 1 2 339.380 3.507 20 5 EHBDLO CC(C)n1c[nH+]cc1CNc1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001161562923 1027514354 /nfs/dbraw/zinc/51/43/54/1027514354.db2.gz HQSJYLQSKLGXPS-UHFFFAOYSA-N 1 2 330.175 3.686 20 5 EHBDLO Cc1cc(Nc2ncccc2[N+](=O)[O-])c[nH+]c1N1CCCC[C@H]1C ZINC000503276366 1027699905 /nfs/dbraw/zinc/69/99/05/1027699905.db2.gz NWDRTGPKDGWYBC-CYBMUJFWSA-N 1 2 327.388 3.816 20 5 EHBDLO Cc1ccc(C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C2CC2)o1 ZINC000051966847 1028122333 /nfs/dbraw/zinc/12/23/33/1028122333.db2.gz DATAKCZBSKXPAL-UHFFFAOYSA-N 1 2 344.367 3.527 20 5 EHBDLO Cc1ccc(C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C2CC2)o1 ZINC000051966847 1028122351 /nfs/dbraw/zinc/12/23/51/1028122351.db2.gz DATAKCZBSKXPAL-UHFFFAOYSA-N 1 2 344.367 3.527 20 5 EHBDLO CC1(C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)Cc2ccccc21 ZINC000444672670 1028142928 /nfs/dbraw/zinc/14/29/28/1028142928.db2.gz ZFWGKTHCAQLZLE-UHFFFAOYSA-N 1 2 336.395 3.765 20 5 EHBDLO CC1(C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)Cc2ccccc21 ZINC000444672670 1028142931 /nfs/dbraw/zinc/14/29/31/1028142931.db2.gz ZFWGKTHCAQLZLE-UHFFFAOYSA-N 1 2 336.395 3.765 20 5 EHBDLO Cc1cc(C)c(NC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000455496476 1028230289 /nfs/dbraw/zinc/23/02/89/1028230289.db2.gz OXFQODQLUXUBGE-GFCCVEGCSA-N 1 2 328.372 3.798 20 5 EHBDLO Cc1cc(C)c(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000455486368 1028254149 /nfs/dbraw/zinc/25/41/49/1028254149.db2.gz RTYIKZVLOWGKCZ-UHFFFAOYSA-N 1 2 328.372 3.579 20 5 EHBDLO COc1cc(C[N@@H+]2CCc3cc(F)cc(C)c3C2)ccc1[N+](=O)[O-] ZINC000502950876 1028891886 /nfs/dbraw/zinc/89/18/86/1028891886.db2.gz FBMKZLDKICDFCB-UHFFFAOYSA-N 1 2 330.359 3.609 20 5 EHBDLO COc1cc(C[N@H+]2CCc3cc(F)cc(C)c3C2)ccc1[N+](=O)[O-] ZINC000502950876 1028891908 /nfs/dbraw/zinc/89/19/08/1028891908.db2.gz FBMKZLDKICDFCB-UHFFFAOYSA-N 1 2 330.359 3.609 20 5 EHBDLO Cc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)c(C)[nH+]1 ZINC000414782008 1028945277 /nfs/dbraw/zinc/94/52/77/1028945277.db2.gz IAZTUKRYJYSJOB-UHFFFAOYSA-N 1 2 343.383 3.955 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000595023839 1033617134 /nfs/dbraw/zinc/61/71/34/1033617134.db2.gz YUGBPVXRBUTCAY-ZDUSSCGKSA-N 1 2 344.415 3.766 20 5 EHBDLO CCC[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@H](C)c1ccccc1OC ZINC000595297265 1033721083 /nfs/dbraw/zinc/72/10/83/1033721083.db2.gz QMPWLUMEGAMKFX-CYBMUJFWSA-N 1 2 333.388 3.873 20 5 EHBDLO CCC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])[C@H](C)c1ccccc1OC ZINC000595297265 1033721094 /nfs/dbraw/zinc/72/10/94/1033721094.db2.gz QMPWLUMEGAMKFX-CYBMUJFWSA-N 1 2 333.388 3.873 20 5 EHBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000595717031 1033959227 /nfs/dbraw/zinc/95/92/27/1033959227.db2.gz KXZQKCYXEKSFFG-KRWDZBQOSA-N 1 2 328.368 3.542 20 5 EHBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000595717031 1033959242 /nfs/dbraw/zinc/95/92/42/1033959242.db2.gz KXZQKCYXEKSFFG-KRWDZBQOSA-N 1 2 328.368 3.542 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000595913199 1034028977 /nfs/dbraw/zinc/02/89/77/1034028977.db2.gz CSGKLQZGAHOAET-MQIPJXDCSA-N 1 2 328.359 3.709 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000595913199 1034028987 /nfs/dbraw/zinc/02/89/87/1034028987.db2.gz CSGKLQZGAHOAET-MQIPJXDCSA-N 1 2 328.359 3.709 20 5 EHBDLO COc1cc(NCc2cc[nH+]c(N3CCCC3)c2)c([N+](=O)[O-])cc1C ZINC000596068527 1034068189 /nfs/dbraw/zinc/06/81/89/1034068189.db2.gz YOUZKFPOAGULNI-UHFFFAOYSA-N 1 2 342.399 3.519 20 5 EHBDLO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c2ccccc21 ZINC000129983003 1034857547 /nfs/dbraw/zinc/85/75/47/1034857547.db2.gz INLMBDXMRPEXMG-CYBMUJFWSA-N 1 2 348.362 3.544 20 5 EHBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H](C)[C@H]2c2ccccc2)c1 ZINC000589501438 1036439980 /nfs/dbraw/zinc/43/99/80/1036439980.db2.gz PECSTKLWVWHVLL-UGSOOPFHSA-N 1 2 340.379 3.574 20 5 EHBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](C)[C@H]2c2ccccc2)c1 ZINC000589501438 1036439983 /nfs/dbraw/zinc/43/99/83/1036439983.db2.gz PECSTKLWVWHVLL-UGSOOPFHSA-N 1 2 340.379 3.574 20 5 EHBDLO O=[N+]([O-])c1ccc(NCCCNc2cccc[nH+]2)cc1OC(F)F ZINC000180981359 1037358444 /nfs/dbraw/zinc/35/84/44/1037358444.db2.gz XVGTXTUYFNJSJX-UHFFFAOYSA-N 1 2 338.314 3.505 20 5 EHBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)c(F)c1 ZINC000592136398 1037869648 /nfs/dbraw/zinc/86/96/48/1037869648.db2.gz RLYNNPWXLFRTOG-AWEZNQCLSA-N 1 2 334.322 3.526 20 5 EHBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@H](Oc3ccccc3)C2)c(F)c1 ZINC000592136398 1037869653 /nfs/dbraw/zinc/86/96/53/1037869653.db2.gz RLYNNPWXLFRTOG-AWEZNQCLSA-N 1 2 334.322 3.526 20 5 EHBDLO CC(C)c1ccc(C[N@@H+]2CCc3ccc(O)cc3C2)cc1[N+](=O)[O-] ZINC000509534989 1039432148 /nfs/dbraw/zinc/43/21/48/1039432148.db2.gz ZEQNGROOWNLTRD-UHFFFAOYSA-N 1 2 326.396 3.982 20 5 EHBDLO CC(C)c1ccc(C[N@H+]2CCc3ccc(O)cc3C2)cc1[N+](=O)[O-] ZINC000509534989 1039432154 /nfs/dbraw/zinc/43/21/54/1039432154.db2.gz ZEQNGROOWNLTRD-UHFFFAOYSA-N 1 2 326.396 3.982 20 5 EHBDLO COc1cccc(C[C@H]2CCC[N@@H+]2Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000549770377 1039819851 /nfs/dbraw/zinc/81/98/51/1039819851.db2.gz AEPUOPLVHWZXKH-MRXNPFEDSA-N 1 2 342.395 3.516 20 5 EHBDLO COc1cccc(C[C@H]2CCC[N@H+]2Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000549770377 1039819872 /nfs/dbraw/zinc/81/98/72/1039819872.db2.gz AEPUOPLVHWZXKH-MRXNPFEDSA-N 1 2 342.395 3.516 20 5 EHBDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000029530131 1040677687 /nfs/dbraw/zinc/67/76/87/1040677687.db2.gz WOGGAOPTGSNHNL-ZDUSSCGKSA-N 1 2 346.818 3.526 20 5 EHBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)c(F)c1 ZINC000586766912 1041007801 /nfs/dbraw/zinc/00/78/01/1041007801.db2.gz VTKORSCZUQIAPP-QGZVFWFLSA-N 1 2 334.322 3.916 20 5 EHBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)c(F)c1 ZINC000586766912 1041007814 /nfs/dbraw/zinc/00/78/14/1041007814.db2.gz VTKORSCZUQIAPP-QGZVFWFLSA-N 1 2 334.322 3.916 20 5 EHBDLO CO[C@H](C)c1nc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000165237603 1042706102 /nfs/dbraw/zinc/70/61/02/1042706102.db2.gz DSLWVYIMPSQHSD-NWDGAFQWSA-N 1 2 335.429 3.918 20 5 EHBDLO C[C@@H]1c2ccsc2CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083132249 1127207541 /nfs/dbraw/zinc/20/75/41/1127207541.db2.gz NKTHRXXUJDPIGR-SNVBAGLBSA-N 1 2 329.381 3.917 20 5 EHBDLO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083132249 1127207545 /nfs/dbraw/zinc/20/75/45/1127207545.db2.gz NKTHRXXUJDPIGR-SNVBAGLBSA-N 1 2 329.381 3.917 20 5 EHBDLO C[C@H](N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000552924227 1128060735 /nfs/dbraw/zinc/06/07/35/1128060735.db2.gz BEBYVFOQAHJUFA-YJLNNSPDSA-N 1 2 325.412 3.691 20 5 EHBDLO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000552924227 1128060739 /nfs/dbraw/zinc/06/07/39/1128060739.db2.gz BEBYVFOQAHJUFA-YJLNNSPDSA-N 1 2 325.412 3.691 20 5 EHBDLO O=[N+]([O-])c1cc(Cl)ccc1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000073666854 1128751394 /nfs/dbraw/zinc/75/13/94/1128751394.db2.gz DJMSGNJNDDRZQG-UHFFFAOYSA-N 1 2 332.791 3.856 20 5 EHBDLO C[C@H](c1ccccn1)[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000091702457 1128820899 /nfs/dbraw/zinc/82/08/99/1128820899.db2.gz UCBVIIROXFCOIZ-CYBMUJFWSA-N 1 2 338.367 3.838 20 5 EHBDLO C[C@H](c1ccccn1)[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000091702457 1128820904 /nfs/dbraw/zinc/82/09/04/1128820904.db2.gz UCBVIIROXFCOIZ-CYBMUJFWSA-N 1 2 338.367 3.838 20 5 EHBDLO COc1cccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1OC ZINC000122829117 1121971201 /nfs/dbraw/zinc/97/12/01/1121971201.db2.gz FXEQNVDKJYUUHZ-UHFFFAOYSA-N 1 2 342.395 3.777 20 5 EHBDLO COc1cccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1OC ZINC000122829117 1121971206 /nfs/dbraw/zinc/97/12/06/1121971206.db2.gz FXEQNVDKJYUUHZ-UHFFFAOYSA-N 1 2 342.395 3.777 20 5 EHBDLO CC(C)(C)c1ccc([C@@H]2CCC[N@@H+]2Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000917474141 1122612827 /nfs/dbraw/zinc/61/28/27/1122612827.db2.gz LDTXKICORLOSMN-KRWDZBQOSA-N 1 2 328.416 3.883 20 5 EHBDLO CC(C)(C)c1ccc([C@@H]2CCC[N@H+]2Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000917474141 1122612829 /nfs/dbraw/zinc/61/28/29/1122612829.db2.gz LDTXKICORLOSMN-KRWDZBQOSA-N 1 2 328.416 3.883 20 5 EHBDLO O=C(Nc1ccc(C2CC2)cc1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001127641974 1124998040 /nfs/dbraw/zinc/99/80/40/1124998040.db2.gz QEPQMGBYHCAOSQ-UHFFFAOYSA-N 1 2 348.362 3.910 20 5 EHBDLO CCOc1ccc([C@@H]2CCC[N@@H+]2Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000070703192 1125365253 /nfs/dbraw/zinc/36/52/53/1125365253.db2.gz SCFHZFDTEZRCDF-KRWDZBQOSA-N 1 2 344.415 3.601 20 5 EHBDLO CCOc1ccc([C@@H]2CCC[N@H+]2Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000070703192 1125365257 /nfs/dbraw/zinc/36/52/57/1125365257.db2.gz SCFHZFDTEZRCDF-KRWDZBQOSA-N 1 2 344.415 3.601 20 5 EHBDLO C[NH+](C)[C@H](CNc1sccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000302047921 1129765320 /nfs/dbraw/zinc/76/53/20/1129765320.db2.gz YXOGPJDHHDBFGD-GFCCVEGCSA-N 1 2 327.356 3.649 20 5 EHBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(Oc2ccc(F)c(F)c2)C1 ZINC001173227633 1132008058 /nfs/dbraw/zinc/00/80/58/1132008058.db2.gz RNMWTTJWWJZHNB-LBPRGKRZSA-N 1 2 348.349 3.567 20 5 EHBDLO C[N@H+](Cc1ccc2c(c1)COC2)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000768214964 1133113532 /nfs/dbraw/zinc/11/35/32/1133113532.db2.gz JXISHSSQYQTLBA-UHFFFAOYSA-N 1 2 332.787 3.910 20 5 EHBDLO C[N@@H+](Cc1ccc2c(c1)COC2)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000768214964 1133113537 /nfs/dbraw/zinc/11/35/37/1133113537.db2.gz JXISHSSQYQTLBA-UHFFFAOYSA-N 1 2 332.787 3.910 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000774881248 1134097711 /nfs/dbraw/zinc/09/77/11/1134097711.db2.gz QMAZKCFDHIWWCU-UHFFFAOYSA-N 1 2 333.369 3.513 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000774881248 1134097716 /nfs/dbraw/zinc/09/77/16/1134097716.db2.gz QMAZKCFDHIWWCU-UHFFFAOYSA-N 1 2 333.369 3.513 20 5 EHBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+](Cc2c(F)cccc2F)C2CC2)cc1 ZINC000792323648 1134679552 /nfs/dbraw/zinc/67/95/52/1134679552.db2.gz UPMIXJBVZMPXOM-SFHVURJKSA-N 1 2 348.349 3.571 20 5 EHBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+](Cc2c(F)cccc2F)C2CC2)cc1 ZINC000792323648 1134679557 /nfs/dbraw/zinc/67/95/57/1134679557.db2.gz UPMIXJBVZMPXOM-SFHVURJKSA-N 1 2 348.349 3.571 20 5 EHBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@H]3[C@@H](C2)C3(F)F)c1 ZINC001192388090 1135011007 /nfs/dbraw/zinc/01/10/07/1135011007.db2.gz FMKHJJISBMETGU-NWDGAFQWSA-N 1 2 336.260 3.701 20 5 EHBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@H]3[C@@H](C2)C3(F)F)c1 ZINC001192388090 1135011013 /nfs/dbraw/zinc/01/10/13/1135011013.db2.gz FMKHJJISBMETGU-NWDGAFQWSA-N 1 2 336.260 3.701 20 5 EHBDLO CCC[C@]1(CO)CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000810019732 1135914839 /nfs/dbraw/zinc/91/48/39/1135914839.db2.gz PSDPZZDKDWRKJY-HNNXBMFYSA-N 1 2 347.242 3.886 20 5 EHBDLO CCC[C@]1(CO)CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000810019732 1135914842 /nfs/dbraw/zinc/91/48/42/1135914842.db2.gz PSDPZZDKDWRKJY-HNNXBMFYSA-N 1 2 347.242 3.886 20 5 EHBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000825133923 1137166973 /nfs/dbraw/zinc/16/69/73/1137166973.db2.gz QERDCVMOQORGFV-OAHLLOKOSA-N 1 2 345.226 3.904 20 5 EHBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000825133923 1137166975 /nfs/dbraw/zinc/16/69/75/1137166975.db2.gz QERDCVMOQORGFV-OAHLLOKOSA-N 1 2 345.226 3.904 20 5 EHBDLO Cc1nn(C[N@H+]2CC=C(c3cccc(Cl)c3)CC2)c(C)c1[N+](=O)[O-] ZINC000794675308 1137225427 /nfs/dbraw/zinc/22/54/27/1137225427.db2.gz XGZRTFKDNZVXNX-UHFFFAOYSA-N 1 2 346.818 3.808 20 5 EHBDLO Cc1nn(C[N@@H+]2CC=C(c3cccc(Cl)c3)CC2)c(C)c1[N+](=O)[O-] ZINC000794675308 1137225428 /nfs/dbraw/zinc/22/54/28/1137225428.db2.gz XGZRTFKDNZVXNX-UHFFFAOYSA-N 1 2 346.818 3.808 20 5 EHBDLO COc1cc(C[NH2+]Cc2ccc(C(C)(C)C)o2)c([N+](=O)[O-])cc1OC ZINC000865814531 1137313761 /nfs/dbraw/zinc/31/37/61/1137313761.db2.gz JRLIIIMOTHMDPE-UHFFFAOYSA-N 1 2 348.399 3.792 20 5 EHBDLO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1nnc(C(C)C)[nH]1 ZINC000872052439 1137568149 /nfs/dbraw/zinc/56/81/49/1137568149.db2.gz RXIHSPZPDLBDHE-QWRGUYRKSA-N 1 2 349.460 3.970 20 5 EHBDLO CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872075957 1137570084 /nfs/dbraw/zinc/57/00/84/1137570084.db2.gz HAMPQELZVHZLHX-NWDGAFQWSA-N 1 2 334.445 3.945 20 5 EHBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1cc(COC(C)(C)C)on1 ZINC000873109128 1137590335 /nfs/dbraw/zinc/59/03/35/1137590335.db2.gz DKCQZKILAODQES-UHFFFAOYSA-N 1 2 347.415 3.805 20 5 EHBDLO CC[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1cccc(OC)c1OC ZINC000879464226 1137748420 /nfs/dbraw/zinc/74/84/20/1137748420.db2.gz DZZWCJYCCCLPMD-OAHLLOKOSA-N 1 2 348.374 3.992 20 5 EHBDLO C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F ZINC000886157658 1138053903 /nfs/dbraw/zinc/05/39/03/1138053903.db2.gz HWUWLOHRXOSLDX-JTQLQIEISA-N 1 2 347.325 3.585 20 5 EHBDLO CC(C)([NH2+]Cc1cccnc1[N+](=O)[O-])c1nc2ccccc2s1 ZINC000886297033 1138065309 /nfs/dbraw/zinc/06/53/09/1138065309.db2.gz HMABVEBZDZAXDJ-UHFFFAOYSA-N 1 2 328.397 3.624 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000338196232 1138783650 /nfs/dbraw/zinc/78/36/50/1138783650.db2.gz NOKBSUOHIPIUID-KSSFIOAISA-N 1 2 342.395 3.558 20 5 EHBDLO C[C@@H]([NH2+]Cc1cc(COC(C)(C)C)on1)c1cccc([N+](=O)[O-])c1 ZINC000186826311 1140223698 /nfs/dbraw/zinc/22/36/98/1140223698.db2.gz WJKJPADJEUZSJZ-GFCCVEGCSA-N 1 2 333.388 3.749 20 5 EHBDLO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1nnc2n1CCCCC2 ZINC000266838991 1140727979 /nfs/dbraw/zinc/72/79/79/1140727979.db2.gz GGBBYGCSVIDVAA-CJNGLKHVSA-N 1 2 343.431 3.715 20 5 EHBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000267451712 1140792741 /nfs/dbraw/zinc/79/27/41/1140792741.db2.gz ROTYTYAIVJZMGG-NPMABZOXSA-N 1 2 332.425 3.525 20 5 EHBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000267451712 1140792744 /nfs/dbraw/zinc/79/27/44/1140792744.db2.gz ROTYTYAIVJZMGG-NPMABZOXSA-N 1 2 332.425 3.525 20 5 EHBDLO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2nnc(C)s2)cc1[N+](=O)[O-] ZINC000274274162 1141492188 /nfs/dbraw/zinc/49/21/88/1141492188.db2.gz XFIKCPJFZLZEIW-VHSXEESVSA-N 1 2 336.417 3.565 20 5 EHBDLO O=[N+]([O-])c1cccc(C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)c1 ZINC000069782575 203050288 /nfs/dbraw/zinc/05/02/88/203050288.db2.gz UVQQSDDMTDDQDS-UHFFFAOYSA-N 1 2 348.406 3.559 20 5 EHBDLO CCOc1ccc([C@H](C)[NH2+]Cc2ncc(CC)s2)cc1[N+](=O)[O-] ZINC000154051747 1014926164 /nfs/dbraw/zinc/92/61/64/1014926164.db2.gz QJKVTPUVKZYPHA-NSHDSACASA-N 1 2 335.429 3.863 20 5 EHBDLO C[C@H]([NH2+]Cc1ncc(Br)s1)c1ccc([N+](=O)[O-])cc1 ZINC000449350376 1032466992 /nfs/dbraw/zinc/46/69/92/1032466992.db2.gz VMYDLGCQYSIROL-QMMMGPOBSA-N 1 2 342.218 3.665 20 5 EHBDLO CC[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](CC)CO1 ZINC000593057166 1032689174 /nfs/dbraw/zinc/68/91/74/1032689174.db2.gz CNGPBPNJEVCWLZ-DOTOQJQBSA-N 1 2 345.399 3.639 20 5 EHBDLO CC[C@@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](CC)CO1 ZINC000593057166 1032689183 /nfs/dbraw/zinc/68/91/83/1032689183.db2.gz CNGPBPNJEVCWLZ-DOTOQJQBSA-N 1 2 345.399 3.639 20 5 EHBDLO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cc(F)c(Cl)cc1Cl ZINC000341020862 1017778970 /nfs/dbraw/zinc/77/89/70/1017778970.db2.gz VJLIHWSZLJERSV-SSDOTTSWSA-N 1 2 347.177 3.625 20 5 EHBDLO O=[N+]([O-])c1ccc(N2CCC[C@@H](n3cc[nH+]c3)C2)cc1C(F)(F)F ZINC000610468590 1020274608 /nfs/dbraw/zinc/27/46/08/1020274608.db2.gz LLSFGTPLFZGQLA-GFCCVEGCSA-N 1 2 340.305 3.652 20 5 EHBDLO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC2(CCCCC2)O1 ZINC000594059293 1032905105 /nfs/dbraw/zinc/90/51/05/1032905105.db2.gz VZGHSLRTFGUWMQ-ZDUSSCGKSA-N 1 2 345.399 3.660 20 5 EHBDLO C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC2(CCCCC2)O1 ZINC000594059293 1032905116 /nfs/dbraw/zinc/90/51/16/1032905116.db2.gz VZGHSLRTFGUWMQ-ZDUSSCGKSA-N 1 2 345.399 3.660 20 5 EHBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000550105936 1022452300 /nfs/dbraw/zinc/45/23/00/1022452300.db2.gz YOCGDVBSWDIASG-TXEJJXNPSA-N 1 2 332.322 3.853 20 5 EHBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000550105936 1022452305 /nfs/dbraw/zinc/45/23/05/1022452305.db2.gz YOCGDVBSWDIASG-TXEJJXNPSA-N 1 2 332.322 3.853 20 5 EHBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000610664669 1023133522 /nfs/dbraw/zinc/13/35/22/1023133522.db2.gz LTIGHGGMQUYNHZ-UHFFFAOYSA-N 1 2 336.351 3.650 20 5 EHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccccc1OC ZINC000505606826 1024633849 /nfs/dbraw/zinc/63/38/49/1024633849.db2.gz JABOJCVFCNSISV-UHFFFAOYSA-N 1 2 330.384 3.634 20 5 EHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1ccccc1OC ZINC000505606826 1024633854 /nfs/dbraw/zinc/63/38/54/1024633854.db2.gz JABOJCVFCNSISV-UHFFFAOYSA-N 1 2 330.384 3.634 20 5 EHBDLO COc1nc(C)cc(C)c1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000346982803 1025383740 /nfs/dbraw/zinc/38/37/40/1025383740.db2.gz OEOCMJIILQTFLP-UHFFFAOYSA-N 1 2 341.411 3.780 20 5 EHBDLO COc1nc(C)cc(C)c1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000346982803 1025383752 /nfs/dbraw/zinc/38/37/52/1025383752.db2.gz OEOCMJIILQTFLP-UHFFFAOYSA-N 1 2 341.411 3.780 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](CO)c1c(F)cccc1F ZINC000540184149 1025524746 /nfs/dbraw/zinc/52/47/46/1025524746.db2.gz YAPYKFMKDRTDHZ-BZNIZROVSA-N 1 2 336.338 3.566 20 5 EHBDLO COc1ccc2c(c1)C[N@H+]([C@@H](C)c1ccccc1[N+](=O)[O-])CCO2 ZINC000451641541 1026197537 /nfs/dbraw/zinc/19/75/37/1026197537.db2.gz IHZRYBABSDRSAS-ZDUSSCGKSA-N 1 2 328.368 3.559 20 5 EHBDLO COc1ccc2c(c1)C[N@@H+]([C@@H](C)c1ccccc1[N+](=O)[O-])CCO2 ZINC000451641541 1026197545 /nfs/dbraw/zinc/19/75/45/1026197545.db2.gz IHZRYBABSDRSAS-ZDUSSCGKSA-N 1 2 328.368 3.559 20 5 EHBDLO Cc1cc(C(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)cc([N+](=O)[O-])c1 ZINC000366548903 1027405322 /nfs/dbraw/zinc/40/53/22/1027405322.db2.gz UIYXRRYCCVVWQE-UHFFFAOYSA-N 1 2 336.351 3.854 20 5 EHBDLO O=[N+]([O-])c1ccc(-c2nc(CC3CCCC3)no2)cc1-n1cc[nH+]c1 ZINC000453183932 1027505250 /nfs/dbraw/zinc/50/52/50/1027505250.db2.gz IMJNFRLLOPEQSX-UHFFFAOYSA-N 1 2 339.355 3.563 20 5 EHBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3ccccc3)CC2)c(Cl)c1 ZINC000323933538 1027654618 /nfs/dbraw/zinc/65/46/18/1027654618.db2.gz RFJMBSIGAJILEW-UHFFFAOYSA-N 1 2 331.803 3.570 20 5 EHBDLO CCC(CC)CN(CC)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000342857819 1027674146 /nfs/dbraw/zinc/67/41/46/1027674146.db2.gz LUNIHISKMURMTQ-UHFFFAOYSA-N 1 2 344.415 3.679 20 5 EHBDLO Cc1c(Cl)c(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nn1C ZINC000421387120 1028360379 /nfs/dbraw/zinc/36/03/79/1028360379.db2.gz SWOMULXEZTYQLA-CQSZACIVSA-N 1 2 348.834 3.670 20 5 EHBDLO Cc1c(Cl)c(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nn1C ZINC000421387120 1028360393 /nfs/dbraw/zinc/36/03/93/1028360393.db2.gz SWOMULXEZTYQLA-CQSZACIVSA-N 1 2 348.834 3.670 20 5 EHBDLO C[C@@H]([NH2+]Cc1ncc(C(F)(F)F)s1)c1cccc([N+](=O)[O-])c1 ZINC000278612085 1031642748 /nfs/dbraw/zinc/64/27/48/1031642748.db2.gz ITJWGOLTHILWKS-MRVPVSSYSA-N 1 2 331.319 3.921 20 5 EHBDLO Cc1[nH]c([C@H]2CCCN2c2ccc3ncccc3c2[N+](=O)[O-])[nH+]c1C ZINC000904217994 1031855932 /nfs/dbraw/zinc/85/59/32/1031855932.db2.gz YTVVGTKCYNTRES-MRXNPFEDSA-N 1 2 337.383 3.824 20 5 EHBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000608781936 1033887729 /nfs/dbraw/zinc/88/77/29/1033887729.db2.gz GMWCLOYJINGMFG-LRDDRELGSA-N 1 2 330.384 4.000 20 5 EHBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000595717032 1033960793 /nfs/dbraw/zinc/96/07/93/1033960793.db2.gz KXZQKCYXEKSFFG-QGZVFWFLSA-N 1 2 328.368 3.542 20 5 EHBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000595717032 1033960797 /nfs/dbraw/zinc/96/07/97/1033960797.db2.gz KXZQKCYXEKSFFG-QGZVFWFLSA-N 1 2 328.368 3.542 20 5 EHBDLO CC(C)(C)c1ccc(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)cc1[N+](=O)[O-] ZINC000375941906 1034969086 /nfs/dbraw/zinc/96/90/86/1034969086.db2.gz QHFVVYUISRVEGD-GFCCVEGCSA-N 1 2 342.399 3.674 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000612578703 1035075273 /nfs/dbraw/zinc/07/52/73/1035075273.db2.gz AVZPKXZVPSRVSM-BEFAXECRSA-N 1 2 326.396 3.865 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000612578703 1035075281 /nfs/dbraw/zinc/07/52/81/1035075281.db2.gz AVZPKXZVPSRVSM-BEFAXECRSA-N 1 2 326.396 3.865 20 5 EHBDLO CCOc1cccc(NCCc2cn3cccc(C)c3[nH+]2)c1[N+](=O)[O-] ZINC000613046653 1035372764 /nfs/dbraw/zinc/37/27/64/1035372764.db2.gz ZTKREVVFCUCQJJ-UHFFFAOYSA-N 1 2 340.383 3.604 20 5 EHBDLO Cc1noc(C[NH2+]C(C)(C)c2ccc(OCC(C)C)cc2)c1[N+](=O)[O-] ZINC000595413975 1035615604 /nfs/dbraw/zinc/61/56/04/1035615604.db2.gz DXXTZZDQXNUKJP-UHFFFAOYSA-N 1 2 347.415 3.951 20 5 EHBDLO Cc1c(-c2noc([C@H](CC(C)C)n3cc[nH+]c3)n2)cccc1[N+](=O)[O-] ZINC000924092604 1037641631 /nfs/dbraw/zinc/64/16/31/1037641631.db2.gz GNRAESPCBSHGEA-HNNXBMFYSA-N 1 2 341.371 3.785 20 5 EHBDLO CC(C)([NH2+]Cc1cn2cc(Cl)ccc2n1)c1ccccc1[N+](=O)[O-] ZINC000492000811 1037853497 /nfs/dbraw/zinc/85/34/97/1037853497.db2.gz PHXDWAYHLLCPRF-UHFFFAOYSA-N 1 2 344.802 3.921 20 5 EHBDLO COc1cc(C[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)c([N+](=O)[O-])cc1OC ZINC000540552960 1038087238 /nfs/dbraw/zinc/08/72/38/1038087238.db2.gz AKXWJNNDOABSFI-FZMZJTMJSA-N 1 2 346.383 3.618 20 5 EHBDLO Cn1cc(Cl)c(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000417346930 1039698301 /nfs/dbraw/zinc/69/83/01/1039698301.db2.gz GGYNQVRPVKUYHF-HNNXBMFYSA-N 1 2 334.807 3.539 20 5 EHBDLO CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H](C)Cc1ccc(OC)cc1 ZINC000549824682 1039973482 /nfs/dbraw/zinc/97/34/82/1039973482.db2.gz OZDINVPXQYBBKW-CQSZACIVSA-N 1 2 344.411 3.762 20 5 EHBDLO CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H](C)Cc1ccc(OC)cc1 ZINC000549824682 1039973501 /nfs/dbraw/zinc/97/35/01/1039973501.db2.gz OZDINVPXQYBBKW-CQSZACIVSA-N 1 2 344.411 3.762 20 5 EHBDLO Cc1ccc(C[N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000047406617 1041629150 /nfs/dbraw/zinc/62/91/50/1041629150.db2.gz BHYFXGGNMLJKDP-UHFFFAOYSA-N 1 2 338.367 3.585 20 5 EHBDLO Cc1ccc(C[N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000047406617 1041629154 /nfs/dbraw/zinc/62/91/54/1041629154.db2.gz BHYFXGGNMLJKDP-UHFFFAOYSA-N 1 2 338.367 3.585 20 5 EHBDLO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1(CC)CC ZINC001167820818 1042906487 /nfs/dbraw/zinc/90/64/87/1042906487.db2.gz WUSMMBICVPLTBQ-SJORKVTESA-N 1 2 336.432 3.716 20 5 EHBDLO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1(CC)CC ZINC001167820818 1042906489 /nfs/dbraw/zinc/90/64/89/1042906489.db2.gz WUSMMBICVPLTBQ-SJORKVTESA-N 1 2 336.432 3.716 20 5 EHBDLO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cn(-c2ccccc2)nn1 ZINC000150885741 1044089377 /nfs/dbraw/zinc/08/93/77/1044089377.db2.gz FURHQFXOXARKOD-UONOGXRCSA-N 1 2 337.383 3.587 20 5 EHBDLO O=[N+]([O-])c1ccc(NCCCCn2cc[nH+]c2)c(C(F)(F)F)c1 ZINC000390678777 1128677270 /nfs/dbraw/zinc/67/72/70/1128677270.db2.gz VEAWZQIGRBAGLE-UHFFFAOYSA-N 1 2 328.294 3.702 20 5 EHBDLO Cc1noc(C[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)c1[N+](=O)[O-] ZINC001168658301 1128714900 /nfs/dbraw/zinc/71/49/00/1128714900.db2.gz VWOXKKBWJATWSY-LBPRGKRZSA-N 1 2 338.367 3.804 20 5 EHBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000544530203 1122320407 /nfs/dbraw/zinc/32/04/07/1122320407.db2.gz SGMZOVDWBHBDGJ-JXFKEZNVSA-N 1 2 340.423 3.989 20 5 EHBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000544530203 1122320416 /nfs/dbraw/zinc/32/04/16/1122320416.db2.gz SGMZOVDWBHBDGJ-JXFKEZNVSA-N 1 2 340.423 3.989 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C2CC2)cc1 ZINC000179519909 1123787168 /nfs/dbraw/zinc/78/71/68/1123787168.db2.gz CTNULYHOASCEMY-UHFFFAOYSA-N 1 2 345.330 3.807 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C2CC2)cc1 ZINC000179519909 1123787173 /nfs/dbraw/zinc/78/71/73/1123787173.db2.gz CTNULYHOASCEMY-UHFFFAOYSA-N 1 2 345.330 3.807 20 5 EHBDLO COc1ccc(C[N@@H+]2CC[C@](F)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000619784258 1125403921 /nfs/dbraw/zinc/40/39/21/1125403921.db2.gz KBBHYYJMRBIZGC-GOSISDBHSA-N 1 2 330.359 3.674 20 5 EHBDLO COc1ccc(C[N@H+]2CC[C@](F)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000619784258 1125403925 /nfs/dbraw/zinc/40/39/25/1125403925.db2.gz KBBHYYJMRBIZGC-GOSISDBHSA-N 1 2 330.359 3.674 20 5 EHBDLO C[C@@H](CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)Cn1cc[nH+]c1 ZINC000301862923 1129228791 /nfs/dbraw/zinc/22/87/91/1129228791.db2.gz UMHRLIPQUBMNMS-JTQLQIEISA-N 1 2 328.294 3.558 20 5 EHBDLO Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1Nc1ncc([N+](=O)[O-])cn1 ZINC000302216357 1129773411 /nfs/dbraw/zinc/77/34/11/1129773411.db2.gz JLXYVTLVMKREPI-ZDUSSCGKSA-N 1 2 327.388 3.816 20 5 EHBDLO Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1Nc1ncc([N+](=O)[O-])cn1 ZINC000302216357 1129773416 /nfs/dbraw/zinc/77/34/16/1129773416.db2.gz JLXYVTLVMKREPI-ZDUSSCGKSA-N 1 2 327.388 3.816 20 5 EHBDLO C[C@H](OC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000728166396 1130642549 /nfs/dbraw/zinc/64/25/49/1130642549.db2.gz FBXSXFQRQNGHFA-ZDUSSCGKSA-N 1 2 337.335 3.699 20 5 EHBDLO CCN(CC)c1ccc(N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c[nH+]1 ZINC000788708971 1134161291 /nfs/dbraw/zinc/16/12/91/1134161291.db2.gz BZIZTDVHCVYYKQ-GFCCVEGCSA-N 1 2 329.404 3.591 20 5 EHBDLO Cc1ccc([C@@H]2C[C@H](C)[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)cc1 ZINC001193932706 1135200726 /nfs/dbraw/zinc/20/07/26/1135200726.db2.gz RLJPSAMBSKZFRR-GOEBONIOSA-N 1 2 326.396 3.987 20 5 EHBDLO Cc1ccc([C@@H]2C[C@H](C)[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)cc1 ZINC001193932706 1135200729 /nfs/dbraw/zinc/20/07/29/1135200729.db2.gz RLJPSAMBSKZFRR-GOEBONIOSA-N 1 2 326.396 3.987 20 5 EHBDLO Cc1cc(N)nc(SCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[nH+]1 ZINC000809951413 1135905559 /nfs/dbraw/zinc/90/55/59/1135905559.db2.gz AZEUPOCGGBZIHK-UHFFFAOYSA-N 1 2 345.211 3.875 20 5 EHBDLO C[N@@H+](Cc1c(F)cccc1Cl)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776272768 1136127198 /nfs/dbraw/zinc/12/71/98/1136127198.db2.gz VZVWAPKCZHKRNY-INIZCTEOSA-N 1 2 338.766 3.553 20 5 EHBDLO C[N@H+](Cc1c(F)cccc1Cl)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776272768 1136127203 /nfs/dbraw/zinc/12/72/03/1136127203.db2.gz VZVWAPKCZHKRNY-INIZCTEOSA-N 1 2 338.766 3.553 20 5 EHBDLO C[C@H](O)[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1F ZINC000846018995 1137326360 /nfs/dbraw/zinc/32/63/60/1137326360.db2.gz XDYKFJUWAUJHFA-MGPLVRAMSA-N 1 2 338.766 3.599 20 5 EHBDLO CC(=O)Nc1ccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000121873123 1137387575 /nfs/dbraw/zinc/38/75/75/1137387575.db2.gz UWANHMKCOOXMAA-UHFFFAOYSA-N 1 2 347.802 3.839 20 5 EHBDLO CC(=O)Nc1ccc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000121873123 1137387577 /nfs/dbraw/zinc/38/75/77/1137387577.db2.gz UWANHMKCOOXMAA-UHFFFAOYSA-N 1 2 347.802 3.839 20 5 EHBDLO C[C@H]([NH2+]Cc1ccc(OCC2CC2)nc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872031036 1137566305 /nfs/dbraw/zinc/56/63/05/1137566305.db2.gz LKMLLUQMLDQPOF-LBPRGKRZSA-N 1 2 345.374 3.769 20 5 EHBDLO O=C(Oc1ccc(Cl)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000876057145 1137643203 /nfs/dbraw/zinc/64/32/03/1137643203.db2.gz APJVBBWARRNLAR-UHFFFAOYSA-N 1 2 343.726 3.653 20 5 EHBDLO Cc1nccn1CCCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000125739193 1137643538 /nfs/dbraw/zinc/64/35/38/1137643538.db2.gz OVFJVFCWPQZBOA-UHFFFAOYSA-N 1 2 336.823 3.665 20 5 EHBDLO Cc1nccn1CCCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000125739193 1137643539 /nfs/dbraw/zinc/64/35/39/1137643539.db2.gz OVFJVFCWPQZBOA-UHFFFAOYSA-N 1 2 336.823 3.665 20 5 EHBDLO Cc1nc(C2([NH2+]C/C=C/c3ccccc3[N+](=O)[O-])CCCCC2)no1 ZINC000263756860 1138357671 /nfs/dbraw/zinc/35/76/71/1138357671.db2.gz AHYBOXXCYSCCGI-VQHVLOKHSA-N 1 2 342.399 3.749 20 5 EHBDLO O=[N+]([O-])c1ccc(N2CCC(n3cc[nH+]c3)CC2)c(C(F)(F)F)c1 ZINC000264836619 1138653379 /nfs/dbraw/zinc/65/33/79/1138653379.db2.gz IUUDZEYYQUSQKZ-UHFFFAOYSA-N 1 2 340.305 3.652 20 5 EHBDLO O=[N+]([O-])c1ccc(NCc2cc[nH+]c(N3CCCC3)c2)c2cccnc21 ZINC000348879993 1141603160 /nfs/dbraw/zinc/60/31/60/1141603160.db2.gz MWCRVTCSDWFTTN-UHFFFAOYSA-N 1 2 349.394 3.750 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000430194201 1014780312 /nfs/dbraw/zinc/78/03/12/1014780312.db2.gz HNDOLROBEDJRAP-AUUYWEPGSA-N 1 2 342.395 3.565 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000430194201 1014780322 /nfs/dbraw/zinc/78/03/22/1014780322.db2.gz HNDOLROBEDJRAP-AUUYWEPGSA-N 1 2 342.395 3.565 20 5 EHBDLO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000157664347 1015185036 /nfs/dbraw/zinc/18/50/36/1015185036.db2.gz JXQIOPSPWQZALG-CQSZACIVSA-N 1 2 348.399 3.890 20 5 EHBDLO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000157664347 1015185047 /nfs/dbraw/zinc/18/50/47/1015185047.db2.gz JXQIOPSPWQZALG-CQSZACIVSA-N 1 2 348.399 3.890 20 5 EHBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000602028479 1032597813 /nfs/dbraw/zinc/59/78/13/1032597813.db2.gz CIFHNHXTRYJSTB-INIZCTEOSA-N 1 2 330.388 3.634 20 5 EHBDLO CCOc1ccc([N+](=O)[O-])cc1CNc1ccc2c(c1)CCC[NH2+]2 ZINC000414857089 1017243333 /nfs/dbraw/zinc/24/33/33/1017243333.db2.gz ZTSODDIFGRIGRB-UHFFFAOYSA-N 1 2 327.384 3.964 20 5 EHBDLO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(C(F)(F)F)CC3)nc2c1 ZINC000083214317 1018547120 /nfs/dbraw/zinc/54/71/20/1018547120.db2.gz ADXBRSKDMVLWEN-UHFFFAOYSA-N 1 2 329.278 3.510 20 5 EHBDLO Cc1nnsc1C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000426300754 1021210100 /nfs/dbraw/zinc/21/01/00/1021210100.db2.gz JDSKNYDLENHGMO-KRWDZBQOSA-N 1 2 340.408 3.634 20 5 EHBDLO CCSCc1cc[nH+]c(NCc2nc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000602577963 1032998060 /nfs/dbraw/zinc/99/80/60/1032998060.db2.gz RYFQJWFTNUJTDO-UHFFFAOYSA-N 1 2 344.396 3.996 20 5 EHBDLO C[C@H]1COCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000091800348 1023107382 /nfs/dbraw/zinc/10/73/82/1023107382.db2.gz QJZKAABZJAGKOO-NSHDSACASA-N 1 2 336.775 3.729 20 5 EHBDLO C[C@H]1COCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000091800348 1023107387 /nfs/dbraw/zinc/10/73/87/1023107387.db2.gz QJZKAABZJAGKOO-NSHDSACASA-N 1 2 336.775 3.729 20 5 EHBDLO COCc1cc([N+](=O)[O-])ccc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000474154417 1024438483 /nfs/dbraw/zinc/43/84/83/1024438483.db2.gz NUUSHYXQRXWJAM-UHFFFAOYSA-N 1 2 342.399 3.870 20 5 EHBDLO COc1cc(C[N@@H+]2CC[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000434990056 1024544728 /nfs/dbraw/zinc/54/47/28/1024544728.db2.gz DYTIFVSWDWDHRD-OAHLLOKOSA-N 1 2 328.368 3.559 20 5 EHBDLO COc1cc(C[N@H+]2CC[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000434990056 1024544730 /nfs/dbraw/zinc/54/47/30/1024544730.db2.gz DYTIFVSWDWDHRD-OAHLLOKOSA-N 1 2 328.368 3.559 20 5 EHBDLO CCC(CC)c1noc(-c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000453124672 1027404863 /nfs/dbraw/zinc/40/48/63/1027404863.db2.gz QIXKBQXCGWMXJF-UHFFFAOYSA-N 1 2 327.344 3.734 20 5 EHBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H](CC(F)(F)F)C3)nc2c1 ZINC000420948684 1027914674 /nfs/dbraw/zinc/91/46/74/1027914674.db2.gz OCCGYWMLVNPWEU-JTQLQIEISA-N 1 2 342.321 3.636 20 5 EHBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H](CC(F)(F)F)C3)nc2c1 ZINC000420948684 1027914689 /nfs/dbraw/zinc/91/46/89/1027914689.db2.gz OCCGYWMLVNPWEU-JTQLQIEISA-N 1 2 342.321 3.636 20 5 EHBDLO CC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCS1 ZINC000353861058 1028481593 /nfs/dbraw/zinc/48/15/93/1028481593.db2.gz ZEPREIBBPOCXRK-LBPRGKRZSA-N 1 2 332.372 3.524 20 5 EHBDLO CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCS1 ZINC000353861058 1028481600 /nfs/dbraw/zinc/48/16/00/1028481600.db2.gz ZEPREIBBPOCXRK-LBPRGKRZSA-N 1 2 332.372 3.524 20 5 EHBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1Br ZINC000248051956 1029107696 /nfs/dbraw/zinc/10/76/96/1029107696.db2.gz NMDHKUFSQUGBLZ-UHFFFAOYSA-N 1 2 335.201 3.989 20 5 EHBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1Br ZINC000248051956 1029107704 /nfs/dbraw/zinc/10/77/04/1029107704.db2.gz NMDHKUFSQUGBLZ-UHFFFAOYSA-N 1 2 335.201 3.989 20 5 EHBDLO O=[N+]([O-])c1ccc(NCc2ccc(Cn3cc[nH+]c3)cc2)c(F)c1 ZINC000052384228 1029877430 /nfs/dbraw/zinc/87/74/30/1029877430.db2.gz TVOCZLVWCZRMEN-UHFFFAOYSA-N 1 2 326.331 3.591 20 5 EHBDLO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000572980948 1030128930 /nfs/dbraw/zinc/12/89/30/1030128930.db2.gz XVBMJJKQEKDPQY-GXTWGEPZSA-N 1 2 330.359 3.818 20 5 EHBDLO Cc1nn(C(C)C)cc1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000343530978 1031272294 /nfs/dbraw/zinc/27/22/94/1031272294.db2.gz CAEVFJPZYXPRQF-UHFFFAOYSA-N 1 2 328.416 3.845 20 5 EHBDLO Cc1nn(C(C)C)cc1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000343530978 1031272308 /nfs/dbraw/zinc/27/23/08/1031272308.db2.gz CAEVFJPZYXPRQF-UHFFFAOYSA-N 1 2 328.416 3.845 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H](CC(C)C)n2cc[nH+]c2)n1 ZINC000923888284 1031782787 /nfs/dbraw/zinc/78/27/87/1031782787.db2.gz ZJEXQWJFDRSBDN-OAHLLOKOSA-N 1 2 341.371 3.785 20 5 EHBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC(Nc3ccccn3)CC2)c1 ZINC000761129235 1033949114 /nfs/dbraw/zinc/94/91/14/1033949114.db2.gz YXYVCCSDOQZMCS-UHFFFAOYSA-N 1 2 346.818 3.720 20 5 EHBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(Oc3cccc(F)c3)CC2)cs1 ZINC000599505788 1033965942 /nfs/dbraw/zinc/96/59/42/1033965942.db2.gz UYINDJNLKNXLNQ-UHFFFAOYSA-N 1 2 336.388 3.839 20 5 EHBDLO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)n1 ZINC000450537786 1034509866 /nfs/dbraw/zinc/50/98/66/1034509866.db2.gz XNPHDFKAGMRYGG-HDJSIYSDSA-N 1 2 327.388 3.528 20 5 EHBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411936058 1035080850 /nfs/dbraw/zinc/08/08/50/1035080850.db2.gz IITMXRRKPGEREX-CVEARBPZSA-N 1 2 332.787 3.556 20 5 EHBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411936058 1035080854 /nfs/dbraw/zinc/08/08/54/1035080854.db2.gz IITMXRRKPGEREX-CVEARBPZSA-N 1 2 332.787 3.556 20 5 EHBDLO CCOc1cc(C[N@H+]2CC=C(C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000492562808 1035985831 /nfs/dbraw/zinc/98/58/31/1035985831.db2.gz RUJRNWZKVLGEFF-UHFFFAOYSA-N 1 2 330.306 3.688 20 5 EHBDLO CCOc1cc(C[N@@H+]2CC=C(C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000492562808 1035985845 /nfs/dbraw/zinc/98/58/45/1035985845.db2.gz RUJRNWZKVLGEFF-UHFFFAOYSA-N 1 2 330.306 3.688 20 5 EHBDLO COc1cc2c(cc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-])O[C@H](C)C2 ZINC000535077128 1036000925 /nfs/dbraw/zinc/00/09/25/1036000925.db2.gz QQQKZLSSTBHRPA-CYBMUJFWSA-N 1 2 342.395 3.559 20 5 EHBDLO COc1cc2c(cc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])O[C@H](C)C2 ZINC000535077128 1036000943 /nfs/dbraw/zinc/00/09/43/1036000943.db2.gz QQQKZLSSTBHRPA-CYBMUJFWSA-N 1 2 342.395 3.559 20 5 EHBDLO O=[N+]([O-])c1cc(C(F)F)ccc1NCCc1cn2ccccc2[nH+]1 ZINC000589103369 1036237176 /nfs/dbraw/zinc/23/71/76/1036237176.db2.gz OXFPRJHJEMTKJH-UHFFFAOYSA-N 1 2 332.310 3.835 20 5 EHBDLO CCOc1ccc([C@H](C)[NH2+]Cc2nnc(C3CC3)s2)cc1[N+](=O)[O-] ZINC000414336363 1036739187 /nfs/dbraw/zinc/73/91/87/1036739187.db2.gz YZXUOEHJMUOAAU-JTQLQIEISA-N 1 2 348.428 3.573 20 5 EHBDLO CCO[C@H](C)c1nc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000180430342 1036815271 /nfs/dbraw/zinc/81/52/71/1036815271.db2.gz KAVCPJRCYGZPPX-VXGBXAGGSA-N 1 2 335.429 4.000 20 5 EHBDLO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000549718019 1039719715 /nfs/dbraw/zinc/71/97/15/1039719715.db2.gz QGYZIBNMVTWXOG-QGZVFWFLSA-N 1 2 330.384 3.892 20 5 EHBDLO CC[C@H](c1cccc(OC)c1)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000549718019 1039719730 /nfs/dbraw/zinc/71/97/30/1039719730.db2.gz QGYZIBNMVTWXOG-QGZVFWFLSA-N 1 2 330.384 3.892 20 5 EHBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)c(F)c1 ZINC000029584443 1040731905 /nfs/dbraw/zinc/73/19/05/1040731905.db2.gz JHZLYFMVRSEZST-UHFFFAOYSA-N 1 2 349.793 3.710 20 5 EHBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccsc3)CC2)c(Cl)c1 ZINC000015143438 1041400956 /nfs/dbraw/zinc/40/09/56/1041400956.db2.gz FAGHYNNFGGQIMW-UHFFFAOYSA-N 1 2 337.832 3.632 20 5 EHBDLO CCOc1cc(C[N@@H+]2CCOc3ccc(C)cc3C2)ccc1[N+](=O)[O-] ZINC000512246569 1044379582 /nfs/dbraw/zinc/37/95/82/1044379582.db2.gz WITGDIWWRIQQGF-UHFFFAOYSA-N 1 2 342.395 3.697 20 5 EHBDLO CCOc1cc(C[N@H+]2CCOc3ccc(C)cc3C2)ccc1[N+](=O)[O-] ZINC000512246569 1044379587 /nfs/dbraw/zinc/37/95/87/1044379587.db2.gz WITGDIWWRIQQGF-UHFFFAOYSA-N 1 2 342.395 3.697 20 5 EHBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2cccc(F)c2F)CC1 ZINC000487991879 1121546518 /nfs/dbraw/zinc/54/65/18/1121546518.db2.gz UFBFZIRGOJPFDP-ZDUSSCGKSA-N 1 2 347.365 3.756 20 5 EHBDLO O=[N+]([O-])c1cnc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)c(Cl)c1 ZINC000301249139 1123759825 /nfs/dbraw/zinc/75/98/25/1123759825.db2.gz AHWAHKDOLHBXEW-UHFFFAOYSA-N 1 2 347.737 3.580 20 5 EHBDLO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000615836013 1123884038 /nfs/dbraw/zinc/88/40/38/1123884038.db2.gz HCDDJXOIXIMFDU-DNXIFWLFSA-N 1 2 326.400 3.601 20 5 EHBDLO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000615836013 1123884042 /nfs/dbraw/zinc/88/40/42/1123884042.db2.gz HCDDJXOIXIMFDU-DNXIFWLFSA-N 1 2 326.400 3.601 20 5 EHBDLO CCOc1ccc([C@H]2CCC[N@@H+]2Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000070703193 1125365434 /nfs/dbraw/zinc/36/54/34/1125365434.db2.gz SCFHZFDTEZRCDF-QGZVFWFLSA-N 1 2 344.415 3.601 20 5 EHBDLO CCOc1ccc([C@H]2CCC[N@H+]2Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000070703193 1125365438 /nfs/dbraw/zinc/36/54/38/1125365438.db2.gz SCFHZFDTEZRCDF-QGZVFWFLSA-N 1 2 344.415 3.601 20 5 EHBDLO COc1cccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1F ZINC000619725026 1125390149 /nfs/dbraw/zinc/39/01/49/1125390149.db2.gz WOXCBOUWXJBBQC-UHFFFAOYSA-N 1 2 330.359 3.907 20 5 EHBDLO COc1cccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1F ZINC000619725026 1125390153 /nfs/dbraw/zinc/39/01/53/1125390153.db2.gz WOXCBOUWXJBBQC-UHFFFAOYSA-N 1 2 330.359 3.907 20 5 EHBDLO CCOc1ccc([C@H](C)[NH2+][C@@H](COC)c2ccc(C)o2)cc1[N+](=O)[O-] ZINC000154105361 1129533355 /nfs/dbraw/zinc/53/33/55/1129533355.db2.gz KGOPHNDGWNDPSO-ZFWWWQNUSA-N 1 2 348.399 3.933 20 5 EHBDLO C[C@@H](Cn1cc[nH+]c1)Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000774516151 1133695356 /nfs/dbraw/zinc/69/53/56/1133695356.db2.gz QBWOIQJCUHJBFZ-QMMMGPOBSA-N 1 2 348.712 3.964 20 5 EHBDLO C[C@@H]([NH2+]Cc1coc(-c2cccs2)n1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788563029 1134143287 /nfs/dbraw/zinc/14/32/87/1134143287.db2.gz JLMFDLLEKIXGEC-SNVBAGLBSA-N 1 2 344.396 3.744 20 5 EHBDLO CCOC1CC[NH+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000809935607 1135902238 /nfs/dbraw/zinc/90/22/38/1135902238.db2.gz WRPPGHFHNIYDSS-UHFFFAOYSA-N 1 2 333.215 3.903 20 5 EHBDLO Cc1c[nH+]c2cc(C(=O)Nc3ccc([N+](=O)[O-])c4ccccc34)ccn12 ZINC001135226606 1136639890 /nfs/dbraw/zinc/63/98/90/1136639890.db2.gz SHYDFFVHCDRLJG-UHFFFAOYSA-N 1 2 346.346 3.956 20 5 EHBDLO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1Br)c1ccns1 ZINC000716020241 1137478916 /nfs/dbraw/zinc/47/89/16/1137478916.db2.gz KLJBXRPUOIQSAL-MRVPVSSYSA-N 1 2 342.218 3.665 20 5 EHBDLO C[C@@H](N[C@@H]1C[N@H+](C)Cc2ccccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872050804 1137567945 /nfs/dbraw/zinc/56/79/45/1137567945.db2.gz FTKQCZVZMJMLDX-MLGOLLRUSA-N 1 2 329.375 3.571 20 5 EHBDLO C[C@@H](N[C@@H]1C[N@@H+](C)Cc2ccccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872050804 1137567946 /nfs/dbraw/zinc/56/79/46/1137567946.db2.gz FTKQCZVZMJMLDX-MLGOLLRUSA-N 1 2 329.375 3.571 20 5 EHBDLO C[C@@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872050804 1137567947 /nfs/dbraw/zinc/56/79/47/1137567947.db2.gz FTKQCZVZMJMLDX-MLGOLLRUSA-N 1 2 329.375 3.571 20 5 EHBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2ncc(Cl)s2)cc1[N+](=O)[O-] ZINC000872115094 1137572161 /nfs/dbraw/zinc/57/21/61/1137572161.db2.gz HDXBXVDXUIMUAK-SECBINFHSA-N 1 2 341.820 3.954 20 5 EHBDLO COc1ccc([C@@H]2C[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CCO2)cc1 ZINC000879631822 1137752800 /nfs/dbraw/zinc/75/28/00/1137752800.db2.gz RDCOTEGKCKYPBU-KUHUBIRLSA-N 1 2 342.395 3.738 20 5 EHBDLO COc1ccc([C@@H]2C[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CCO2)cc1 ZINC000879631822 1137752801 /nfs/dbraw/zinc/75/28/01/1137752801.db2.gz RDCOTEGKCKYPBU-KUHUBIRLSA-N 1 2 342.395 3.738 20 5 EHBDLO O=[N+]([O-])c1ncccc1C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000886109086 1138047539 /nfs/dbraw/zinc/04/75/39/1138047539.db2.gz BRVZXUHYJNPSRF-CYBMUJFWSA-N 1 2 343.280 3.912 20 5 EHBDLO CC(C)c1nc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)no1 ZINC000267047554 1140754450 /nfs/dbraw/zinc/75/44/50/1140754450.db2.gz QAVHNEGTWBLJSZ-ZDUSSCGKSA-N 1 2 348.378 3.620 20 5 EHBDLO CC(C)c1nc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)no1 ZINC000267047554 1140754455 /nfs/dbraw/zinc/75/44/55/1140754455.db2.gz QAVHNEGTWBLJSZ-ZDUSSCGKSA-N 1 2 348.378 3.620 20 5 EHBDLO CCOc1ccccc1C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083173535 1017769860 /nfs/dbraw/zinc/76/98/60/1017769860.db2.gz VODKYHNSFPPMME-UHFFFAOYSA-N 1 2 341.367 3.767 20 5 EHBDLO CCOc1ccccc1C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083173535 1017769875 /nfs/dbraw/zinc/76/98/75/1017769875.db2.gz VODKYHNSFPPMME-UHFFFAOYSA-N 1 2 341.367 3.767 20 5 EHBDLO Cc1cc(C)c(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c(C)[nH+]1 ZINC000584096532 1018123369 /nfs/dbraw/zinc/12/33/69/1018123369.db2.gz QNCIVKVGDJTWFU-UHFFFAOYSA-N 1 2 340.383 3.505 20 5 EHBDLO CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449562995 1032812574 /nfs/dbraw/zinc/81/25/74/1032812574.db2.gz PZIZAWDEVLULSF-CYBMUJFWSA-N 1 2 340.383 3.922 20 5 EHBDLO C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c2nccn21 ZINC000449573816 1032832387 /nfs/dbraw/zinc/83/23/87/1032832387.db2.gz SFJUYSIDOOCNNL-BLLLJJGKSA-N 1 2 338.367 3.847 20 5 EHBDLO C[N@H+](Cc1ccc(OC(F)F)cc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000051212578 1021713747 /nfs/dbraw/zinc/71/37/47/1021713747.db2.gz YCRGUVNBMOKAKO-UHFFFAOYSA-N 1 2 340.301 3.967 20 5 EHBDLO C[N@@H+](Cc1ccc(OC(F)F)cc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000051212578 1021713760 /nfs/dbraw/zinc/71/37/60/1021713760.db2.gz YCRGUVNBMOKAKO-UHFFFAOYSA-N 1 2 340.301 3.967 20 5 EHBDLO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000518991401 1021760024 /nfs/dbraw/zinc/76/00/24/1021760024.db2.gz JGCQMTMRXJTXEI-DJJJIMSYSA-N 1 2 342.395 3.892 20 5 EHBDLO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000518991401 1021760040 /nfs/dbraw/zinc/76/00/40/1021760040.db2.gz JGCQMTMRXJTXEI-DJJJIMSYSA-N 1 2 342.395 3.892 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)cs1 ZINC000052866465 1021818299 /nfs/dbraw/zinc/81/82/99/1021818299.db2.gz BQQAGZQMLZBQDE-MRXNPFEDSA-N 1 2 332.425 3.838 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)cs1 ZINC000052866465 1021818318 /nfs/dbraw/zinc/81/83/18/1021818318.db2.gz BQQAGZQMLZBQDE-MRXNPFEDSA-N 1 2 332.425 3.838 20 5 EHBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000507765566 1023239749 /nfs/dbraw/zinc/23/97/49/1023239749.db2.gz FOPHYOYSQKWHMS-OAHLLOKOSA-N 1 2 344.342 3.800 20 5 EHBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000507765566 1023239758 /nfs/dbraw/zinc/23/97/58/1023239758.db2.gz FOPHYOYSQKWHMS-OAHLLOKOSA-N 1 2 344.342 3.800 20 5 EHBDLO C[N@H+](CCC(F)(F)F)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425389996 1024985077 /nfs/dbraw/zinc/98/50/77/1024985077.db2.gz ALUIONZNDHHBJQ-UHFFFAOYSA-N 1 2 341.127 3.742 20 5 EHBDLO C[N@@H+](CCC(F)(F)F)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425389996 1024985084 /nfs/dbraw/zinc/98/50/84/1024985084.db2.gz ALUIONZNDHHBJQ-UHFFFAOYSA-N 1 2 341.127 3.742 20 5 EHBDLO Cc1ccoc1C[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425444700 1025315329 /nfs/dbraw/zinc/31/53/29/1025315329.db2.gz LWHWICNTLIKUCE-UHFFFAOYSA-N 1 2 339.189 3.891 20 5 EHBDLO Cc1ccoc1C[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425444700 1025315341 /nfs/dbraw/zinc/31/53/41/1025315341.db2.gz LWHWICNTLIKUCE-UHFFFAOYSA-N 1 2 339.189 3.891 20 5 EHBDLO Cc1cc(CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc(C)[nH+]1 ZINC000421101200 1028108833 /nfs/dbraw/zinc/10/88/33/1028108833.db2.gz SDMLZGBZLHEHCE-UHFFFAOYSA-N 1 2 328.372 3.545 20 5 EHBDLO CC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCS1 ZINC000353861057 1028482103 /nfs/dbraw/zinc/48/21/03/1028482103.db2.gz ZEPREIBBPOCXRK-GFCCVEGCSA-N 1 2 332.372 3.524 20 5 EHBDLO CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCS1 ZINC000353861057 1028482112 /nfs/dbraw/zinc/48/21/12/1028482112.db2.gz ZEPREIBBPOCXRK-GFCCVEGCSA-N 1 2 332.372 3.524 20 5 EHBDLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000424329146 1028975534 /nfs/dbraw/zinc/97/55/34/1028975534.db2.gz PGMARQRUDLDJPC-GHMZBOCLSA-N 1 2 349.412 3.558 20 5 EHBDLO C[N@H+](Cc1cccc(O)c1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000532934666 1029097995 /nfs/dbraw/zinc/09/79/95/1029097995.db2.gz ZNSCJJOFDIJCLR-UHFFFAOYSA-N 1 2 338.310 3.534 20 5 EHBDLO C[N@@H+](Cc1cccc(O)c1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000532934666 1029098010 /nfs/dbraw/zinc/09/80/10/1029098010.db2.gz ZNSCJJOFDIJCLR-UHFFFAOYSA-N 1 2 338.310 3.534 20 5 EHBDLO C[C@@H](c1cccs1)[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000052283230 1029660889 /nfs/dbraw/zinc/66/08/89/1029660889.db2.gz LVBREBWIRMWBAI-NSHDSACASA-N 1 2 344.396 3.899 20 5 EHBDLO C[C@@H](c1cccs1)[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000052283230 1029660895 /nfs/dbraw/zinc/66/08/95/1029660895.db2.gz LVBREBWIRMWBAI-NSHDSACASA-N 1 2 344.396 3.899 20 5 EHBDLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000340450360 1030491947 /nfs/dbraw/zinc/49/19/47/1030491947.db2.gz XSGKQTRSSCXVEO-QWRGUYRKSA-N 1 2 349.337 3.551 20 5 EHBDLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000128852114 1031366005 /nfs/dbraw/zinc/36/60/05/1031366005.db2.gz COBAPVTUUBBKPE-UHFFFAOYSA-N 1 2 342.742 3.686 20 5 EHBDLO COC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)c1ccc(C)o1 ZINC000595013913 1033606591 /nfs/dbraw/zinc/60/65/91/1033606591.db2.gz RLYPGJNLTFANIT-WFASDCNBSA-N 1 2 334.372 3.543 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](CCO)c1ccccc1F ZINC000595045411 1033663415 /nfs/dbraw/zinc/66/34/15/1033663415.db2.gz MYTAPBHFSOSKGU-SJCJKPOMSA-N 1 2 348.374 3.517 20 5 EHBDLO COCc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2[N+](=O)[O-])o1 ZINC000595443787 1033807187 /nfs/dbraw/zinc/80/71/87/1033807187.db2.gz YGWXLFRRZVZGRS-OAHLLOKOSA-N 1 2 334.347 3.810 20 5 EHBDLO COCc1ccc([C@H]2CCC[N@H+]2Cc2ccc(F)cc2[N+](=O)[O-])o1 ZINC000595443787 1033807201 /nfs/dbraw/zinc/80/72/01/1033807201.db2.gz YGWXLFRRZVZGRS-OAHLLOKOSA-N 1 2 334.347 3.810 20 5 EHBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]([C@H](C)c2ccco2)C2CC2)c1 ZINC000593023699 1033826437 /nfs/dbraw/zinc/82/64/37/1033826437.db2.gz XVISKAUYMAYJQJ-GFCCVEGCSA-N 1 2 344.367 3.700 20 5 EHBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]([C@H](C)c2ccco2)C2CC2)c1 ZINC000593023699 1033826457 /nfs/dbraw/zinc/82/64/57/1033826457.db2.gz XVISKAUYMAYJQJ-GFCCVEGCSA-N 1 2 344.367 3.700 20 5 EHBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H](c3ccccn3)C2)c(F)c1 ZINC000595500418 1033831736 /nfs/dbraw/zinc/83/17/36/1033831736.db2.gz CKCYQGUNTKFHIK-LBPRGKRZSA-N 1 2 333.338 3.648 20 5 EHBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@H](c3ccccn3)C2)c(F)c1 ZINC000595500418 1033831739 /nfs/dbraw/zinc/83/17/39/1033831739.db2.gz CKCYQGUNTKFHIK-LBPRGKRZSA-N 1 2 333.338 3.648 20 5 EHBDLO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccccc1[N+](=O)[O-] ZINC000178004924 1035504051 /nfs/dbraw/zinc/50/40/51/1035504051.db2.gz KQPJQUHSNUQTGX-UHFFFAOYSA-N 1 2 335.747 3.788 20 5 EHBDLO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccccc1[N+](=O)[O-] ZINC000178004924 1035504056 /nfs/dbraw/zinc/50/40/56/1035504056.db2.gz KQPJQUHSNUQTGX-UHFFFAOYSA-N 1 2 335.747 3.788 20 5 EHBDLO COc1cc2c(cc1F)C[N@@H+]([C@@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000540837661 1035722092 /nfs/dbraw/zinc/72/20/92/1035722092.db2.gz NFDQJIJCQLEGQB-LBPRGKRZSA-N 1 2 330.359 3.862 20 5 EHBDLO COc1cc2c(cc1F)C[N@H+]([C@@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000540837661 1035722111 /nfs/dbraw/zinc/72/21/11/1035722111.db2.gz NFDQJIJCQLEGQB-LBPRGKRZSA-N 1 2 330.359 3.862 20 5 EHBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1c(F)cccc1OC ZINC000122416102 1036102628 /nfs/dbraw/zinc/10/26/28/1036102628.db2.gz IDZJCOONNWYJAA-LLVKDONJSA-N 1 2 334.347 3.602 20 5 EHBDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC(C)(C)C1 ZINC000541322394 1036201606 /nfs/dbraw/zinc/20/16/06/1036201606.db2.gz KQLWNWAEIZVMOF-LLVKDONJSA-N 1 2 339.823 3.555 20 5 EHBDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC(C)(C)C1 ZINC000541322394 1036201625 /nfs/dbraw/zinc/20/16/25/1036201625.db2.gz KQLWNWAEIZVMOF-LLVKDONJSA-N 1 2 339.823 3.555 20 5 EHBDLO CC[C@@]1(C)CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000464782589 1036779727 /nfs/dbraw/zinc/77/97/27/1036779727.db2.gz YKQBUBZORXZCCN-INIZCTEOSA-N 1 2 339.823 3.699 20 5 EHBDLO CC[C@@]1(C)CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000464782589 1036779737 /nfs/dbraw/zinc/77/97/37/1036779737.db2.gz YKQBUBZORXZCCN-INIZCTEOSA-N 1 2 339.823 3.699 20 5 EHBDLO COc1ccc(C[N@@H+]2CCOC3(C2)CCCCCC3)cc1[N+](=O)[O-] ZINC000532428041 1037259207 /nfs/dbraw/zinc/25/92/07/1037259207.db2.gz XTSOHABPELQKJA-UHFFFAOYSA-N 1 2 334.416 3.529 20 5 EHBDLO COc1ccc(C[N@H+]2CCOC3(C2)CCCCCC3)cc1[N+](=O)[O-] ZINC000532428041 1037259217 /nfs/dbraw/zinc/25/92/17/1037259217.db2.gz XTSOHABPELQKJA-UHFFFAOYSA-N 1 2 334.416 3.529 20 5 EHBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(C)(C)CC1 ZINC000532524619 1037550578 /nfs/dbraw/zinc/55/05/78/1037550578.db2.gz FYOLTLWPLOXPEN-NSHDSACASA-N 1 2 339.823 3.697 20 5 EHBDLO COc1cc(C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)c([N+](=O)[O-])cc1OC ZINC000540552961 1038088429 /nfs/dbraw/zinc/08/84/29/1038088429.db2.gz AKXWJNNDOABSFI-RISCZKNCSA-N 1 2 346.383 3.618 20 5 EHBDLO COc1ccc(C2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)cc1 ZINC000549464170 1039402161 /nfs/dbraw/zinc/40/21/61/1039402161.db2.gz LEZMFDWGSOOYPK-UHFFFAOYSA-N 1 2 342.395 3.689 20 5 EHBDLO O=[N+]([O-])c1ccc(N2CC[NH+](C/C=C/c3ccccc3)CC2)c(F)c1 ZINC000042096437 1039596090 /nfs/dbraw/zinc/59/60/90/1039596090.db2.gz VOXBMXSKYABDPQ-QPJJXVBHSA-N 1 2 341.386 3.569 20 5 EHBDLO COCc1nc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cs1 ZINC000417353081 1039711367 /nfs/dbraw/zinc/71/13/67/1039711367.db2.gz WJSZZEGEFUXGHD-INIZCTEOSA-N 1 2 347.440 3.755 20 5 EHBDLO O=C(OC1CCCCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000912706185 1040134238 /nfs/dbraw/zinc/13/42/38/1040134238.db2.gz BFAHLTCLUBVJQZ-UHFFFAOYSA-N 1 2 329.356 3.660 20 5 EHBDLO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000614226168 1040761268 /nfs/dbraw/zinc/76/12/68/1040761268.db2.gz ZSMZLKNTNZNNPK-KOLCDFICSA-N 1 2 343.305 3.899 20 5 EHBDLO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000614226168 1040761283 /nfs/dbraw/zinc/76/12/83/1040761283.db2.gz ZSMZLKNTNZNNPK-KOLCDFICSA-N 1 2 343.305 3.899 20 5 EHBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)c(Cl)c1 ZINC000433337564 1041311871 /nfs/dbraw/zinc/31/18/71/1041311871.db2.gz CTRMXSMSCYXAOB-UHFFFAOYSA-N 1 2 332.747 3.521 20 5 EHBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]C(C)(C)c1nc(C)c(C)s1 ZINC000072865940 1042633047 /nfs/dbraw/zinc/63/30/47/1042633047.db2.gz YYZCZHSSULXSHN-UHFFFAOYSA-N 1 2 335.429 3.702 20 5 EHBDLO O=[N+]([O-])c1cccc2c(NCc3cc[nH+]c(N4CCCC4)c3)ccnc21 ZINC000432328763 1042911032 /nfs/dbraw/zinc/91/10/32/1042911032.db2.gz YOCJKOAUKPTKCL-UHFFFAOYSA-N 1 2 349.394 3.750 20 5 EHBDLO Cc1nnc([C@H](C)[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)s1 ZINC000279187016 1043518275 /nfs/dbraw/zinc/51/82/75/1043518275.db2.gz WAALIXSAPSHNNO-XPTSAGLGSA-N 1 2 332.429 3.828 20 5 EHBDLO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1nccs1 ZINC000279442584 1044089300 /nfs/dbraw/zinc/08/93/00/1044089300.db2.gz HPVNNFQPSBQNIC-MRVPVSSYSA-N 1 2 331.319 3.921 20 5 EHBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cc(Cl)cs3)CC2)c1 ZINC000495163160 1120974495 /nfs/dbraw/zinc/97/44/95/1120974495.db2.gz HUGFUKAVYNESFC-UHFFFAOYSA-N 1 2 337.832 3.632 20 5 EHBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCOc1cccc3ccccc31)CC2 ZINC000495471103 1121220034 /nfs/dbraw/zinc/22/00/34/1121220034.db2.gz RYOBRWZWXXJMQL-UHFFFAOYSA-N 1 2 349.390 3.580 20 5 EHBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCOc1cccc3ccccc31)CC2 ZINC000495471103 1121220038 /nfs/dbraw/zinc/22/00/38/1121220038.db2.gz RYOBRWZWXXJMQL-UHFFFAOYSA-N 1 2 349.390 3.580 20 5 EHBDLO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000556271031 1122908788 /nfs/dbraw/zinc/90/87/88/1122908788.db2.gz WKAFZWKVJQCKDE-VOJFVSQTSA-N 1 2 348.349 3.697 20 5 EHBDLO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000556271031 1122908792 /nfs/dbraw/zinc/90/87/92/1122908792.db2.gz WKAFZWKVJQCKDE-VOJFVSQTSA-N 1 2 348.349 3.697 20 5 EHBDLO Cn1ccnc1[C@H]([NH2+]C/C=C/c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000556868387 1123159296 /nfs/dbraw/zinc/15/92/96/1123159296.db2.gz VFPOZDUHEDWWQI-MTCRFPMVSA-N 1 2 348.406 3.721 20 5 EHBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000609672534 1123639593 /nfs/dbraw/zinc/63/95/93/1123639593.db2.gz LFGNLTWCVACJSE-KRWDZBQOSA-N 1 2 344.436 3.894 20 5 EHBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000609672534 1123639594 /nfs/dbraw/zinc/63/95/94/1123639594.db2.gz LFGNLTWCVACJSE-KRWDZBQOSA-N 1 2 344.436 3.894 20 5 EHBDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000617462234 1124561284 /nfs/dbraw/zinc/56/12/84/1124561284.db2.gz IGXOMBDWHCKPFD-GFCCVEGCSA-N 1 2 335.404 3.679 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000619784385 1125403983 /nfs/dbraw/zinc/40/39/83/1125403983.db2.gz HAQGLEYIYVRTDJ-GOSISDBHSA-N 1 2 330.359 3.674 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000619784385 1125403985 /nfs/dbraw/zinc/40/39/85/1125403985.db2.gz HAQGLEYIYVRTDJ-GOSISDBHSA-N 1 2 330.359 3.674 20 5 EHBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1c2ccccc2OC[C@H]1F ZINC000922521455 1129561094 /nfs/dbraw/zinc/56/10/94/1129561094.db2.gz JWKKYPMOGUUHFB-QAPCUYQASA-N 1 2 330.359 3.773 20 5 EHBDLO CN(C)c1ccc([NH+]2CCC(Nc3sccc3[N+](=O)[O-])CC2)cc1 ZINC000302005250 1129763026 /nfs/dbraw/zinc/76/30/26/1129763026.db2.gz KTOTYRFKXGHVQU-UHFFFAOYSA-N 1 2 346.456 3.803 20 5 EHBDLO CCOc1cc(C[N@H+]2Cc3ccccc3O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000429164154 1129905406 /nfs/dbraw/zinc/90/54/06/1129905406.db2.gz WGLBVXBCSAKAOO-CQSZACIVSA-N 1 2 342.395 3.777 20 5 EHBDLO CCOc1cc(C[N@@H+]2Cc3ccccc3O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000429164154 1129905410 /nfs/dbraw/zinc/90/54/10/1129905410.db2.gz WGLBVXBCSAKAOO-CQSZACIVSA-N 1 2 342.395 3.777 20 5 EHBDLO CCC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)(C)C ZINC001129006683 1130392699 /nfs/dbraw/zinc/39/26/99/1130392699.db2.gz HHYIJJLDSVIPTM-MRXNPFEDSA-N 1 2 344.415 3.725 20 5 EHBDLO O=[N+]([O-])c1c(Nc2ccc([NH+]3CCCCC3)cc2)nc2ccccn21 ZINC000742273273 1131700927 /nfs/dbraw/zinc/70/09/27/1131700927.db2.gz IZUNARZGCBHTGB-UHFFFAOYSA-N 1 2 337.383 3.976 20 5 EHBDLO O=C(C[N@@H+]1CC[C@@H]1c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000746457870 1132541566 /nfs/dbraw/zinc/54/15/66/1132541566.db2.gz SWWVRDYTEIVKNW-OAHLLOKOSA-N 1 2 345.786 3.634 20 5 EHBDLO O=C(C[N@H+]1CC[C@@H]1c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000746457870 1132541572 /nfs/dbraw/zinc/54/15/72/1132541572.db2.gz SWWVRDYTEIVKNW-OAHLLOKOSA-N 1 2 345.786 3.634 20 5 EHBDLO O=C(C[N@@H+]1CC[C@H]1c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000746457869 1132541692 /nfs/dbraw/zinc/54/16/92/1132541692.db2.gz SWWVRDYTEIVKNW-HNNXBMFYSA-N 1 2 345.786 3.634 20 5 EHBDLO O=C(C[N@H+]1CC[C@H]1c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000746457869 1132541696 /nfs/dbraw/zinc/54/16/96/1132541696.db2.gz SWWVRDYTEIVKNW-HNNXBMFYSA-N 1 2 345.786 3.634 20 5 EHBDLO C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746651531 1133969089 /nfs/dbraw/zinc/96/90/89/1133969089.db2.gz BAIYQHZDXWLULY-UHFFFAOYSA-N 1 2 348.786 3.651 20 5 EHBDLO C[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746651531 1133969094 /nfs/dbraw/zinc/96/90/94/1133969094.db2.gz BAIYQHZDXWLULY-UHFFFAOYSA-N 1 2 348.786 3.651 20 5 EHBDLO CCc1cc(NCCCNc2ccc(C)cc2[N+](=O)[O-])nc(CC)[nH+]1 ZINC001185449991 1134097625 /nfs/dbraw/zinc/09/76/25/1134097625.db2.gz BBUTURVNQBWWBK-UHFFFAOYSA-N 1 2 343.431 3.732 20 5 EHBDLO COc1ccc(C[C@@H](C)[N@@H+]2Cc3cccc(F)c3C2)c([N+](=O)[O-])c1 ZINC001170348698 1134759398 /nfs/dbraw/zinc/75/93/98/1134759398.db2.gz ZSQQRRQHHUIDSG-GFCCVEGCSA-N 1 2 330.359 3.689 20 5 EHBDLO COc1ccc(C[C@@H](C)[N@H+]2Cc3cccc(F)c3C2)c([N+](=O)[O-])c1 ZINC001170348698 1134759404 /nfs/dbraw/zinc/75/94/04/1134759404.db2.gz ZSQQRRQHHUIDSG-GFCCVEGCSA-N 1 2 330.359 3.689 20 5 EHBDLO CCn1c(C)nc([N+](=O)[O-])c1Nc1ccc([NH+]2CCCCC2)cc1 ZINC000807916141 1135588824 /nfs/dbraw/zinc/58/88/24/1135588824.db2.gz NKFYIRKDEXXYBM-UHFFFAOYSA-N 1 2 329.404 3.854 20 5 EHBDLO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809986131 1135909033 /nfs/dbraw/zinc/90/90/33/1135909033.db2.gz ZICUABJOWSWSTN-ISTVAULSSA-N 1 2 347.242 3.883 20 5 EHBDLO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809986131 1135909035 /nfs/dbraw/zinc/90/90/35/1135909035.db2.gz ZICUABJOWSWSTN-ISTVAULSSA-N 1 2 347.242 3.883 20 5 EHBDLO C[C@@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000811019487 1136036795 /nfs/dbraw/zinc/03/67/95/1136036795.db2.gz GOMSEJQZDWIXOR-CYBMUJFWSA-N 1 2 337.335 3.699 20 5 EHBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH+]1CC(C2CCOCC2)C1 ZINC000811501092 1136100439 /nfs/dbraw/zinc/10/04/39/1136100439.db2.gz SCTMADGRVIOXSP-UHFFFAOYSA-N 1 2 345.226 3.760 20 5 EHBDLO O=[N+]([O-])c1cc(-c2nc(C3CCCCC3)no2)ccc1-n1cc[nH+]c1 ZINC000109527906 1136305379 /nfs/dbraw/zinc/30/53/79/1136305379.db2.gz CCMIIVSACASQRL-UHFFFAOYSA-N 1 2 339.355 3.878 20 5 EHBDLO CC[N@H+](CCSC)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000843437367 1137143219 /nfs/dbraw/zinc/14/32/19/1137143219.db2.gz FIYIOPLAIVOOLU-UHFFFAOYSA-N 1 2 333.251 3.542 20 5 EHBDLO CC[N@@H+](CCSC)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000843437367 1137143220 /nfs/dbraw/zinc/14/32/20/1137143220.db2.gz FIYIOPLAIVOOLU-UHFFFAOYSA-N 1 2 333.251 3.542 20 5 EHBDLO COc1ccc(C[NH2+]Cc2c(Cl)cncc2Cl)cc1[N+](=O)[O-] ZINC001649161022 1137487342 /nfs/dbraw/zinc/48/73/42/1137487342.db2.gz IQLNAGMWUOACSP-UHFFFAOYSA-N 1 2 342.182 3.595 20 5 EHBDLO Cc1[nH]c(C2CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)[nH+]c1C ZINC000886664462 1138111216 /nfs/dbraw/zinc/11/12/16/1138111216.db2.gz NIZSHWOPIXIOQX-UHFFFAOYSA-N 1 2 348.834 3.968 20 5 EHBDLO CCC[C@H]([NH2+]Cc1nnc2n1CCCCC2)c1cccc([N+](=O)[O-])c1 ZINC000178285732 1139684018 /nfs/dbraw/zinc/68/40/18/1139684018.db2.gz ITSIFNPWNRFKGP-INIZCTEOSA-N 1 2 343.431 3.544 20 5 EHBDLO COc1cc(C[N@H+](C)[C@@H](C)c2cccc(O)c2)c([N+](=O)[O-])cc1F ZINC000184257363 1140090724 /nfs/dbraw/zinc/09/07/24/1140090724.db2.gz KQQINJQJBWXJBC-NSHDSACASA-N 1 2 334.347 3.641 20 5 EHBDLO COc1cc(C[N@@H+](C)[C@@H](C)c2cccc(O)c2)c([N+](=O)[O-])cc1F ZINC000184257363 1140090730 /nfs/dbraw/zinc/09/07/30/1140090730.db2.gz KQQINJQJBWXJBC-NSHDSACASA-N 1 2 334.347 3.641 20 5 EHBDLO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C12CCCCC2 ZINC000339124530 1141503916 /nfs/dbraw/zinc/50/39/16/1141503916.db2.gz MQLOLEOBJBABEF-DLBZAZTESA-N 1 2 334.416 3.518 20 5 EHBDLO C[C@]1(c2ccccc2)C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000536673624 1032107015 /nfs/dbraw/zinc/10/70/15/1032107015.db2.gz RNPNAYHKQYJOTI-YHAGJJCESA-N 1 2 338.407 3.856 20 5 EHBDLO C[C@]1(c2ccccc2)C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000536673624 1032107021 /nfs/dbraw/zinc/10/70/21/1032107021.db2.gz RNPNAYHKQYJOTI-YHAGJJCESA-N 1 2 338.407 3.856 20 5 EHBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)c(F)c1 ZINC000593054519 1032687504 /nfs/dbraw/zinc/68/75/04/1032687504.db2.gz ITIIQUDCWCYLKJ-UHFFFAOYSA-N 1 2 336.260 3.600 20 5 EHBDLO C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c2nccn21 ZINC000449573817 1032833058 /nfs/dbraw/zinc/83/30/58/1032833058.db2.gz SFJUYSIDOOCNNL-LRDDRELGSA-N 1 2 338.367 3.847 20 5 EHBDLO Cc1cc(NCCCNc2cccc[nH+]2)c2cccc([N+](=O)[O-])c2n1 ZINC000345103293 1019948855 /nfs/dbraw/zinc/94/88/55/1019948855.db2.gz HOKHDNPOBRSKQB-UHFFFAOYSA-N 1 2 337.383 3.761 20 5 EHBDLO CCn1ccnc1[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000280752344 1020625199 /nfs/dbraw/zinc/62/51/99/1020625199.db2.gz BSRMPIVTNSMCBM-QGZVFWFLSA-N 1 2 328.416 3.847 20 5 EHBDLO CCn1ccnc1[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000280752344 1020625208 /nfs/dbraw/zinc/62/52/08/1020625208.db2.gz BSRMPIVTNSMCBM-QGZVFWFLSA-N 1 2 328.416 3.847 20 5 EHBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC(Oc2ccccn2)CC1 ZINC000437908949 1021377789 /nfs/dbraw/zinc/37/77/89/1021377789.db2.gz KVCMKOQTXBHCDQ-UHFFFAOYSA-N 1 2 347.802 3.687 20 5 EHBDLO O=[N+]([O-])c1ccc(/C=C\c2c[nH+]c3ccc(Br)cn23)nc1 ZINC000439515438 1021501536 /nfs/dbraw/zinc/50/15/36/1021501536.db2.gz DCCLWISQDPQGBF-RQOWECAXSA-N 1 2 345.156 3.570 20 5 EHBDLO COC(=O)c1ccccc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000507158777 1023153435 /nfs/dbraw/zinc/15/34/35/1023153435.db2.gz FQRWQMKNKHBEBU-UHFFFAOYSA-N 1 2 340.379 3.546 20 5 EHBDLO COC(=O)c1ccccc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000507158777 1023153438 /nfs/dbraw/zinc/15/34/38/1023153438.db2.gz FQRWQMKNKHBEBU-UHFFFAOYSA-N 1 2 340.379 3.546 20 5 EHBDLO CCC1(C)CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000507185159 1023169822 /nfs/dbraw/zinc/16/98/22/1023169822.db2.gz WIMCKQORCDUHFD-UHFFFAOYSA-N 1 2 339.823 3.699 20 5 EHBDLO COc1ccc(F)c(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000507243826 1023210418 /nfs/dbraw/zinc/21/04/18/1023210418.db2.gz OPFQIZCBFBDQEC-UHFFFAOYSA-N 1 2 330.359 3.907 20 5 EHBDLO COc1ccc(F)c(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000507243826 1023210423 /nfs/dbraw/zinc/21/04/23/1023210423.db2.gz OPFQIZCBFBDQEC-UHFFFAOYSA-N 1 2 330.359 3.907 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCCn2nc(C(C)C)nc21 ZINC000167974011 1033135720 /nfs/dbraw/zinc/13/57/20/1033135720.db2.gz YZYSAPHMQVNYPT-CZUORRHYSA-N 1 2 343.431 3.804 20 5 EHBDLO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602767289 1033164810 /nfs/dbraw/zinc/16/48/10/1033164810.db2.gz CYJKKSJIWPYAMY-SNVBAGLBSA-N 1 2 342.321 3.540 20 5 EHBDLO C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602767289 1033164823 /nfs/dbraw/zinc/16/48/23/1033164823.db2.gz CYJKKSJIWPYAMY-SNVBAGLBSA-N 1 2 342.321 3.540 20 5 EHBDLO O=[N+]([O-])c1c2cccnc2ccc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895351548 1024364222 /nfs/dbraw/zinc/36/42/22/1024364222.db2.gz IVWHFFSRWCVQJR-UHFFFAOYSA-N 1 2 349.394 3.619 20 5 EHBDLO C[C@H]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])c1cncs1 ZINC000934195619 1024652375 /nfs/dbraw/zinc/65/23/75/1024652375.db2.gz KAQDIWNNKIADSJ-QMMMGPOBSA-N 1 2 342.218 3.665 20 5 EHBDLO O=[N+]([O-])c1ccc(NCCCCn2cc[nH+]c2)cc1C(F)(F)F ZINC000321446974 1025874396 /nfs/dbraw/zinc/87/43/96/1025874396.db2.gz NKZFADAGCVAREN-UHFFFAOYSA-N 1 2 328.294 3.702 20 5 EHBDLO O=[N+]([O-])c1ccc(-c2nc(C3CCCCC3)no2)cc1-n1cc[nH+]c1 ZINC000453014353 1027225158 /nfs/dbraw/zinc/22/51/58/1027225158.db2.gz DWECKZZFFPUNGS-UHFFFAOYSA-N 1 2 339.355 3.878 20 5 EHBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H]3c3ccsc3)nc2c1 ZINC000444596021 1028057449 /nfs/dbraw/zinc/05/74/49/1028057449.db2.gz LAIHUSKQCOTAAI-OAHLLOKOSA-N 1 2 328.397 3.870 20 5 EHBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H]3c3ccsc3)nc2c1 ZINC000444596021 1028057466 /nfs/dbraw/zinc/05/74/66/1028057466.db2.gz LAIHUSKQCOTAAI-OAHLLOKOSA-N 1 2 328.397 3.870 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000595913198 1034027946 /nfs/dbraw/zinc/02/79/46/1034027946.db2.gz CSGKLQZGAHOAET-MKBNYLNASA-N 1 2 328.359 3.709 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000595913198 1034027953 /nfs/dbraw/zinc/02/79/53/1034027953.db2.gz CSGKLQZGAHOAET-MKBNYLNASA-N 1 2 328.359 3.709 20 5 EHBDLO O=[N+]([O-])c1cc(N2CCC[C@H](n3cc[nH+]c3)C2)ccc1C(F)(F)F ZINC000596112692 1034096452 /nfs/dbraw/zinc/09/64/52/1034096452.db2.gz SAUFPJDJIZLAFJ-LBPRGKRZSA-N 1 2 340.305 3.652 20 5 EHBDLO CC[C@@H](C)N(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H](C)CC ZINC000410682975 1034626818 /nfs/dbraw/zinc/62/68/18/1034626818.db2.gz KGEDGYSNLHJJRA-OKILXGFUSA-N 1 2 344.415 3.820 20 5 EHBDLO CC[C@@H](C)N(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H](C)CC ZINC000410682978 1034627176 /nfs/dbraw/zinc/62/71/76/1034627176.db2.gz KGEDGYSNLHJJRA-ZIAGYGMSSA-N 1 2 344.415 3.820 20 5 EHBDLO CCOc1cc(C[N@@H+]2CCc3cc(F)ccc3C2)ccc1[N+](=O)[O-] ZINC000492726232 1036216628 /nfs/dbraw/zinc/21/66/28/1036216628.db2.gz ZZPOFVACETUGGS-UHFFFAOYSA-N 1 2 330.359 3.691 20 5 EHBDLO CCOc1cc(C[N@H+]2CCc3cc(F)ccc3C2)ccc1[N+](=O)[O-] ZINC000492726232 1036216650 /nfs/dbraw/zinc/21/66/50/1036216650.db2.gz ZZPOFVACETUGGS-UHFFFAOYSA-N 1 2 330.359 3.691 20 5 EHBDLO COC(=O)CCC[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000153186821 1036311193 /nfs/dbraw/zinc/31/11/93/1036311193.db2.gz ALCNSINAPHHTJX-UHFFFAOYSA-N 1 2 348.424 3.612 20 5 EHBDLO COC(=O)CCC[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000153186821 1036311207 /nfs/dbraw/zinc/31/12/07/1036311207.db2.gz ALCNSINAPHHTJX-UHFFFAOYSA-N 1 2 348.424 3.612 20 5 EHBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCc3sccc3[C@H]2C)c1 ZINC000589495069 1036437458 /nfs/dbraw/zinc/43/74/58/1036437458.db2.gz WBGDUFAWOQAWIP-LLVKDONJSA-N 1 2 346.408 3.562 20 5 EHBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCc3sccc3[C@H]2C)c1 ZINC000589495069 1036437462 /nfs/dbraw/zinc/43/74/62/1036437462.db2.gz WBGDUFAWOQAWIP-LLVKDONJSA-N 1 2 346.408 3.562 20 5 EHBDLO Cc1ccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)nc1 ZINC000590754864 1037026425 /nfs/dbraw/zinc/02/64/25/1037026425.db2.gz WDFOTLIQHKBHKW-UHFFFAOYSA-N 1 2 339.317 3.949 20 5 EHBDLO Cc1ccc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)nc1 ZINC000590754864 1037026432 /nfs/dbraw/zinc/02/64/32/1037026432.db2.gz WDFOTLIQHKBHKW-UHFFFAOYSA-N 1 2 339.317 3.949 20 5 EHBDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000066808177 1038561307 /nfs/dbraw/zinc/56/13/07/1038561307.db2.gz HWLVOOWUVJJSOS-ZDUSSCGKSA-N 1 2 346.818 3.526 20 5 EHBDLO Cc1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000485796180 1039547662 /nfs/dbraw/zinc/54/76/62/1039547662.db2.gz VDYIOQUVDBNDJQ-OAHLLOKOSA-N 1 2 341.411 3.843 20 5 EHBDLO Cc1ccc(NC(=O)C[N@H+](C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000485796180 1039547670 /nfs/dbraw/zinc/54/76/70/1039547670.db2.gz VDYIOQUVDBNDJQ-OAHLLOKOSA-N 1 2 341.411 3.843 20 5 EHBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1NCCCCn1cc[nH+]c1 ZINC000553185141 1039864029 /nfs/dbraw/zinc/86/40/29/1039864029.db2.gz QFRRVJHQDIGWEU-UHFFFAOYSA-N 1 2 329.187 3.990 20 5 EHBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2sccc2Cl)CC1 ZINC000555016323 1040066595 /nfs/dbraw/zinc/06/65/95/1040066595.db2.gz XIUQIOPRTGIZBU-UHFFFAOYSA-N 1 2 337.832 3.632 20 5 EHBDLO O=[N+]([O-])c1cccc(Cl)c1C[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000494786237 1120818506 /nfs/dbraw/zinc/81/85/06/1120818506.db2.gz DUDRTUYUSIFIOF-UHFFFAOYSA-N 1 2 346.770 3.756 20 5 EHBDLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC000193968186 1121743693 /nfs/dbraw/zinc/74/36/93/1121743693.db2.gz WYRWVPAJAIRHFC-INIZCTEOSA-N 1 2 342.355 3.544 20 5 EHBDLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC000193968186 1121743696 /nfs/dbraw/zinc/74/36/96/1121743696.db2.gz WYRWVPAJAIRHFC-INIZCTEOSA-N 1 2 342.355 3.544 20 5 EHBDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000617462210 1124560724 /nfs/dbraw/zinc/56/07/24/1124560724.db2.gz AUEOEMWFIHTFFW-LBPRGKRZSA-N 1 2 335.404 3.679 20 5 EHBDLO C[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000617696651 1124733029 /nfs/dbraw/zinc/73/30/29/1124733029.db2.gz KLWBFZRSVYGVAR-ZDUSSCGKSA-N 1 2 336.351 3.523 20 5 EHBDLO C[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccsc1 ZINC000619783643 1125404020 /nfs/dbraw/zinc/40/40/20/1125404020.db2.gz WCRHIBRWSBWMRP-JTQLQIEISA-N 1 2 330.369 3.557 20 5 EHBDLO C[C@H](CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)Cn1cc[nH+]c1 ZINC000301863624 1129227428 /nfs/dbraw/zinc/22/74/28/1129227428.db2.gz UMHRLIPQUBMNMS-SNVBAGLBSA-N 1 2 328.294 3.558 20 5 EHBDLO C[C@@H]1C[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCS1 ZINC000131311178 1129783761 /nfs/dbraw/zinc/78/37/61/1129783761.db2.gz BJZRPAVYXUKLAQ-LLVKDONJSA-N 1 2 335.454 3.656 20 5 EHBDLO C[C@@H]1C[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCS1 ZINC000131311178 1129783764 /nfs/dbraw/zinc/78/37/64/1129783764.db2.gz BJZRPAVYXUKLAQ-LLVKDONJSA-N 1 2 335.454 3.656 20 5 EHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000175028115 1130398998 /nfs/dbraw/zinc/39/89/98/1130398998.db2.gz NAILGLOONFQVJL-GFCCVEGCSA-N 1 2 332.322 3.768 20 5 EHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000175028115 1130399003 /nfs/dbraw/zinc/39/90/03/1130399003.db2.gz NAILGLOONFQVJL-GFCCVEGCSA-N 1 2 332.322 3.768 20 5 EHBDLO CN(C)c1cccc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000741753434 1131643975 /nfs/dbraw/zinc/64/39/75/1131643975.db2.gz YHFZCZLQUMQJEW-UHFFFAOYSA-N 1 2 333.819 3.946 20 5 EHBDLO CN(C)c1cccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000741753434 1131643978 /nfs/dbraw/zinc/64/39/78/1131643978.db2.gz YHFZCZLQUMQJEW-UHFFFAOYSA-N 1 2 333.819 3.946 20 5 EHBDLO Cc1ccc(C[NH2+]Cc2c(Cl)cncc2Cl)cc1[N+](=O)[O-] ZINC001179391307 1133249833 /nfs/dbraw/zinc/24/98/33/1133249833.db2.gz QUCLJVCERQGSSL-UHFFFAOYSA-N 1 2 326.183 3.895 20 5 EHBDLO C[C@H]([NH2+]Cc1c(F)cc(F)c(F)c1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788800008 1134170935 /nfs/dbraw/zinc/17/09/35/1134170935.db2.gz TYEJANOBWFIDKP-ZETCQYMHSA-N 1 2 343.280 3.584 20 5 EHBDLO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC001191529254 1134880410 /nfs/dbraw/zinc/88/04/10/1134880410.db2.gz DBIWMAKGLMDMNI-INIZCTEOSA-N 1 2 341.411 3.531 20 5 EHBDLO CC[C@H]1CN(C)c2ccccc2C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC001191529254 1134880415 /nfs/dbraw/zinc/88/04/15/1134880415.db2.gz DBIWMAKGLMDMNI-INIZCTEOSA-N 1 2 341.411 3.531 20 5 EHBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1c(F)cncc1F ZINC000809717065 1135877505 /nfs/dbraw/zinc/87/75/05/1135877505.db2.gz WIKVXJYWEZKHQY-MRVPVSSYSA-N 1 2 327.718 3.772 20 5 EHBDLO CN(c1ccccc1)c1ccc(C[NH2+]Cc2ccon2)cc1[N+](=O)[O-] ZINC000747622670 1135990999 /nfs/dbraw/zinc/99/09/99/1135990999.db2.gz UBFVZIKHLXMHIQ-UHFFFAOYSA-N 1 2 338.367 3.641 20 5 EHBDLO Cc1cc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC001135145293 1136623779 /nfs/dbraw/zinc/62/37/79/1136623779.db2.gz NZGVZNSCMPBOEY-MRXNPFEDSA-N 1 2 347.802 3.798 20 5 EHBDLO CN(C)c1cccc([C@H]2CCC[N@@H+]2Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000339006043 1136897545 /nfs/dbraw/zinc/89/75/45/1136897545.db2.gz PHISNRCTYBFKFR-GOSISDBHSA-N 1 2 341.411 3.704 20 5 EHBDLO CN(C)c1cccc([C@H]2CCC[N@H+]2Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000339006043 1136897548 /nfs/dbraw/zinc/89/75/48/1136897548.db2.gz PHISNRCTYBFKFR-GOSISDBHSA-N 1 2 341.411 3.704 20 5 EHBDLO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC000339071882 1137276157 /nfs/dbraw/zinc/27/61/57/1137276157.db2.gz UNODKLIQRCWRNY-JTQLQIEISA-N 1 2 338.310 3.753 20 5 EHBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(C)nc1Cl ZINC000883291359 1137852965 /nfs/dbraw/zinc/85/29/65/1137852965.db2.gz BMOBAJCYMSLLGK-UHFFFAOYSA-N 1 2 335.791 3.640 20 5 EHBDLO COc1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2F)cc1[N+](=O)[O-] ZINC000883383378 1137858535 /nfs/dbraw/zinc/85/85/35/1137858535.db2.gz XKPDHMHZLKMNMT-MAUKXSAKSA-N 1 2 330.359 3.719 20 5 EHBDLO CC(C)c1[nH+]c2c(n1C)CCN([C@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000106372717 1137883481 /nfs/dbraw/zinc/88/34/81/1137883481.db2.gz YQSQOKIMCZTVIU-CYBMUJFWSA-N 1 2 328.416 3.571 20 5 EHBDLO C[C@@H]1SCC[N@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000886014439 1138032236 /nfs/dbraw/zinc/03/22/36/1138032236.db2.gz HQRKTEWTVFTWIH-BBRMVZONSA-N 1 2 329.425 3.668 20 5 EHBDLO C[C@@H]1SCC[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000886014439 1138032238 /nfs/dbraw/zinc/03/22/38/1138032238.db2.gz HQRKTEWTVFTWIH-BBRMVZONSA-N 1 2 329.425 3.668 20 5 EHBDLO O=C(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)c1ccc([N+](=O)[O-])cc1 ZINC000072058527 201172731 /nfs/dbraw/zinc/17/27/31/201172731.db2.gz AJTDEVIGAJFTHO-UHFFFAOYSA-N 1 2 336.351 3.991 20 5 EHBDLO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3nccn3C(F)F)C2)cc1 ZINC000449498469 1032670876 /nfs/dbraw/zinc/67/08/76/1032670876.db2.gz KQHRRWYLIXNTAK-ZDUSSCGKSA-N 1 2 336.342 3.566 20 5 EHBDLO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3nccn3C(F)F)C2)cc1 ZINC000449498469 1032670879 /nfs/dbraw/zinc/67/08/79/1032670879.db2.gz KQHRRWYLIXNTAK-ZDUSSCGKSA-N 1 2 336.342 3.566 20 5 EHBDLO C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2nccn21 ZINC000449572845 1032828251 /nfs/dbraw/zinc/82/82/51/1032828251.db2.gz OGVWHFRJBXULBM-WBMJQRKESA-N 1 2 338.367 3.847 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)Cc1nc2ccccc2n1C ZINC000182883064 1019765843 /nfs/dbraw/zinc/76/58/43/1019765843.db2.gz GGYYDQZQLWLHIG-AWEZNQCLSA-N 1 2 338.411 3.983 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)Cc1nc2ccccc2n1C ZINC000182883064 1019765862 /nfs/dbraw/zinc/76/58/62/1019765862.db2.gz GGYYDQZQLWLHIG-AWEZNQCLSA-N 1 2 338.411 3.983 20 5 EHBDLO CC(C)([NH2+]Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC000050898765 1020659340 /nfs/dbraw/zinc/65/93/40/1020659340.db2.gz GOVAPVAIIZYALN-UHFFFAOYSA-N 1 2 329.187 3.581 20 5 EHBDLO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CCCOc4ccccc43)nc2c1 ZINC000602529700 1032963742 /nfs/dbraw/zinc/96/37/42/1032963742.db2.gz QTGKYWCGPVXBCF-AWEZNQCLSA-N 1 2 339.351 3.740 20 5 EHBDLO COc1c(O)ccc(C[N@H+](C)Cc2ccc(Cl)s2)c1[N+](=O)[O-] ZINC000891499102 1021769535 /nfs/dbraw/zinc/76/95/35/1021769535.db2.gz MNJGTFLOCHIQMR-UHFFFAOYSA-N 1 2 342.804 3.656 20 5 EHBDLO COc1c(O)ccc(C[N@@H+](C)Cc2ccc(Cl)s2)c1[N+](=O)[O-] ZINC000891499102 1021769546 /nfs/dbraw/zinc/76/95/46/1021769546.db2.gz MNJGTFLOCHIQMR-UHFFFAOYSA-N 1 2 342.804 3.656 20 5 EHBDLO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000441011972 1021927049 /nfs/dbraw/zinc/92/70/49/1021927049.db2.gz DXXYKUDKXAKQAR-XIKOKIGWSA-N 1 2 330.359 3.558 20 5 EHBDLO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000441011972 1021927057 /nfs/dbraw/zinc/92/70/57/1021927057.db2.gz DXXYKUDKXAKQAR-XIKOKIGWSA-N 1 2 330.359 3.558 20 5 EHBDLO COc1cccc(Nc2ccc(N3CCCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000548445126 1023244831 /nfs/dbraw/zinc/24/48/31/1023244831.db2.gz XOCHYQVXIKDZLU-UHFFFAOYSA-N 1 2 328.372 3.732 20 5 EHBDLO O=[N+]([O-])c1cccc(F)c1Cn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000092918590 1024487520 /nfs/dbraw/zinc/48/75/20/1024487520.db2.gz YUKQYLPVGTZUOK-UHFFFAOYSA-N 1 2 340.236 3.546 20 5 EHBDLO CCc1ccc([C@H]([NH2+]Cc2c[nH]nc2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346624044 1024935061 /nfs/dbraw/zinc/93/50/61/1024935061.db2.gz CKTZUWHAEXBJSN-GOSISDBHSA-N 1 2 340.383 3.661 20 5 EHBDLO CCC(=O)c1ccc(N[C@@H]2C[N@H+](C)Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000530423513 1025795983 /nfs/dbraw/zinc/79/59/83/1025795983.db2.gz YTBNMHDFQHKTAM-QGZVFWFLSA-N 1 2 339.395 3.786 20 5 EHBDLO CCC(=O)c1ccc(N[C@@H]2C[N@@H+](C)Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000530423513 1025795998 /nfs/dbraw/zinc/79/59/98/1025795998.db2.gz YTBNMHDFQHKTAM-QGZVFWFLSA-N 1 2 339.395 3.786 20 5 EHBDLO Cc1[nH]c([C@H]2CCCN2c2ccc([N+](=O)[O-])c3cnccc32)[nH+]c1C ZINC000895194491 1026091620 /nfs/dbraw/zinc/09/16/20/1026091620.db2.gz ZCNKFCMZTFBNRZ-QGZVFWFLSA-N 1 2 337.383 3.824 20 5 EHBDLO CN(CCCn1cc[nH+]c1)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000342641542 1026542912 /nfs/dbraw/zinc/54/29/12/1026542912.db2.gz WUWTTXKGNXZWRR-UHFFFAOYSA-N 1 2 329.187 3.625 20 5 EHBDLO CCc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000161955505 1031194696 /nfs/dbraw/zinc/19/46/96/1031194696.db2.gz RIDLKGMFWFBCOS-UHFFFAOYSA-N 1 2 341.411 3.536 20 5 EHBDLO CCc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000161955505 1031194705 /nfs/dbraw/zinc/19/47/05/1031194705.db2.gz RIDLKGMFWFBCOS-UHFFFAOYSA-N 1 2 341.411 3.536 20 5 EHBDLO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1c(F)c(F)cc(F)c1F ZINC000594500445 1033402376 /nfs/dbraw/zinc/40/23/76/1033402376.db2.gz UIIQOAWBAQVFRR-ZDUSSCGKSA-N 1 2 340.276 3.928 20 5 EHBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc(OC3CC3)c2F)c(F)c1 ZINC000594971212 1033577357 /nfs/dbraw/zinc/57/73/57/1033577357.db2.gz BJYPCUQFRMYDGR-UHFFFAOYSA-N 1 2 334.322 3.704 20 5 EHBDLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)o1 ZINC000595029816 1033652754 /nfs/dbraw/zinc/65/27/54/1033652754.db2.gz ZEBMIGZKZBNKBY-LRDDRELGSA-N 1 2 348.399 3.797 20 5 EHBDLO C/C(=C\C(=O)Nc1ccccc1-n1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000785186900 1033715613 /nfs/dbraw/zinc/71/56/13/1033715613.db2.gz ZUQVINWCIBNEFA-WYMLVPIESA-N 1 2 348.362 3.823 20 5 EHBDLO COc1ccccc1[C@@H]1CCCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595317711 1033737195 /nfs/dbraw/zinc/73/71/95/1033737195.db2.gz LBLBTSDTFLAUNQ-AWEZNQCLSA-N 1 2 331.372 3.627 20 5 EHBDLO COc1ccccc1[C@@H]1CCCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595317711 1033737211 /nfs/dbraw/zinc/73/72/11/1033737211.db2.gz LBLBTSDTFLAUNQ-AWEZNQCLSA-N 1 2 331.372 3.627 20 5 EHBDLO COc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595418126 1033793974 /nfs/dbraw/zinc/79/39/74/1033793974.db2.gz CIEGUAHLBSWGHG-CQSZACIVSA-N 1 2 333.388 3.777 20 5 EHBDLO COCc1cc[nH+]c(N[C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])c1 ZINC000593698550 1033799404 /nfs/dbraw/zinc/79/94/04/1033799404.db2.gz SWDCGYPFAIFENM-DOTOQJQBSA-N 1 2 341.411 3.960 20 5 EHBDLO Cc1cn2c([nH+]1)[C@@H](CNc1nccc3c1cccc3[N+](=O)[O-])CCC2 ZINC000450406077 1034286193 /nfs/dbraw/zinc/28/61/93/1034286193.db2.gz PQOIBUOYTPLLHN-CYBMUJFWSA-N 1 2 337.383 3.637 20 5 EHBDLO COCC[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000541072091 1035954872 /nfs/dbraw/zinc/95/48/72/1035954872.db2.gz LQHXQZLAIJMQFK-UHFFFAOYSA-N 1 2 334.803 3.897 20 5 EHBDLO COCC[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000541072091 1035954884 /nfs/dbraw/zinc/95/48/84/1035954884.db2.gz LQHXQZLAIJMQFK-UHFFFAOYSA-N 1 2 334.803 3.897 20 5 EHBDLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000056867279 1036594745 /nfs/dbraw/zinc/59/47/45/1036594745.db2.gz CSWRPHHYXFUNFC-UHFFFAOYSA-N 1 2 347.334 3.514 20 5 EHBDLO CCC[C@H]([NH2+]Cc1nnc(C2CC2)s1)c1cccc([N+](=O)[O-])c1 ZINC000414331222 1036717627 /nfs/dbraw/zinc/71/76/27/1036717627.db2.gz SRILAUDRHORKCB-AWEZNQCLSA-N 1 2 332.429 3.955 20 5 EHBDLO Cc1c(C[N@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000464852588 1036901056 /nfs/dbraw/zinc/90/10/56/1036901056.db2.gz QVCJHJVBQJXLTB-IFXJQAMLSA-N 1 2 326.396 3.865 20 5 EHBDLO Cc1c(C[N@@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000464852588 1036901069 /nfs/dbraw/zinc/90/10/69/1036901069.db2.gz QVCJHJVBQJXLTB-IFXJQAMLSA-N 1 2 326.396 3.865 20 5 EHBDLO CC(C)([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cc(C(F)(F)F)on1 ZINC000492154946 1038058627 /nfs/dbraw/zinc/05/86/27/1038058627.db2.gz UMTSTQUWLSBFTM-UHFFFAOYSA-N 1 2 329.278 3.627 20 5 EHBDLO Cc1cc(C)c(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000906914771 1039810420 /nfs/dbraw/zinc/81/04/20/1039810420.db2.gz XQYRXJCBTTVVDN-CYBMUJFWSA-N 1 2 327.384 3.714 20 5 EHBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000029657614 1040798497 /nfs/dbraw/zinc/79/84/97/1040798497.db2.gz HBIUMTUZJBZEGN-SCLBCKFNSA-N 1 2 330.359 3.868 20 5 EHBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000029657614 1040798508 /nfs/dbraw/zinc/79/85/08/1040798508.db2.gz HBIUMTUZJBZEGN-SCLBCKFNSA-N 1 2 330.359 3.868 20 5 EHBDLO COc1cc(C[NH2+][C@@H](COCC(C)C)c2ccco2)ccc1[N+](=O)[O-] ZINC000347633265 1128482931 /nfs/dbraw/zinc/48/29/31/1128482931.db2.gz HYMADDMIYBTTSH-HNNXBMFYSA-N 1 2 348.399 3.700 20 5 EHBDLO O=[N+]([O-])c1ccc(N2CC[NH+](C/C=C\c3ccccc3)CC2)c(F)c1 ZINC000915214075 1121249862 /nfs/dbraw/zinc/24/98/62/1121249862.db2.gz VOXBMXSKYABDPQ-DAXSKMNVSA-N 1 2 341.386 3.569 20 5 EHBDLO CC(C)(C)c1ccc([C@@H]2CCC[N@@H+]2Cn2nccc2[N+](=O)[O-])cc1 ZINC000917473911 1122612005 /nfs/dbraw/zinc/61/20/05/1122612005.db2.gz HAFXRQLWYWYTNN-INIZCTEOSA-N 1 2 328.416 3.883 20 5 EHBDLO CC(C)(C)c1ccc([C@@H]2CCC[N@H+]2Cn2nccc2[N+](=O)[O-])cc1 ZINC000917473911 1122612007 /nfs/dbraw/zinc/61/20/07/1122612007.db2.gz HAFXRQLWYWYTNN-INIZCTEOSA-N 1 2 328.416 3.883 20 5 EHBDLO COc1ccc(C[N@@H+]2CCc3cc(F)ccc3[C@H]2C)cc1[N+](=O)[O-] ZINC000610003925 1123711597 /nfs/dbraw/zinc/71/15/97/1123711597.db2.gz QKYYSBQTTSWPFW-GFCCVEGCSA-N 1 2 330.359 3.862 20 5 EHBDLO COc1ccc(C[N@H+]2CCc3cc(F)ccc3[C@H]2C)cc1[N+](=O)[O-] ZINC000610003925 1123711599 /nfs/dbraw/zinc/71/15/99/1123711599.db2.gz QKYYSBQTTSWPFW-GFCCVEGCSA-N 1 2 330.359 3.862 20 5 EHBDLO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000615836012 1123884388 /nfs/dbraw/zinc/88/43/88/1123884388.db2.gz HCDDJXOIXIMFDU-DKGMDFAASA-N 1 2 326.400 3.601 20 5 EHBDLO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000615836012 1123884394 /nfs/dbraw/zinc/88/43/94/1123884394.db2.gz HCDDJXOIXIMFDU-DKGMDFAASA-N 1 2 326.400 3.601 20 5 EHBDLO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000115557861 1129274225 /nfs/dbraw/zinc/27/42/25/1129274225.db2.gz FHBULWAOZALXLX-UHFFFAOYSA-N 1 2 348.349 3.916 20 5 EHBDLO Cc1nc(NCc2ccc([N+](=O)[O-])cc2Cl)c2c([nH+]1)CCCC2 ZINC000302191742 1129772054 /nfs/dbraw/zinc/77/20/54/1129772054.db2.gz BSETYBIFRGMYFL-UHFFFAOYSA-N 1 2 332.791 3.838 20 5 EHBDLO Nc1ccc(CNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])c[nH+]1 ZINC000302780933 1129791132 /nfs/dbraw/zinc/79/11/32/1129791132.db2.gz RQTZJYHSRLSFTB-UHFFFAOYSA-N 1 2 346.696 3.856 20 5 EHBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000245446191 1130208852 /nfs/dbraw/zinc/20/88/52/1130208852.db2.gz ZOENFVFMFGQBDH-HBUWYVDXSA-N 1 2 339.395 3.615 20 5 EHBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000245446191 1130208859 /nfs/dbraw/zinc/20/88/59/1130208859.db2.gz ZOENFVFMFGQBDH-HBUWYVDXSA-N 1 2 339.395 3.615 20 5 EHBDLO CC[NH+](CC)[C@H](C(=O)Oc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000731471030 1130800791 /nfs/dbraw/zinc/80/07/91/1130800791.db2.gz POMJITOMPORFBG-KRWDZBQOSA-N 1 2 328.368 3.583 20 5 EHBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCCC(C)(C)C1 ZINC000732984321 1130978377 /nfs/dbraw/zinc/97/83/77/1130978377.db2.gz JWWKNNHIJQPLPR-LLVKDONJSA-N 1 2 339.823 3.697 20 5 EHBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCCC(C)(C)C1 ZINC000732984321 1130978382 /nfs/dbraw/zinc/97/83/82/1130978382.db2.gz JWWKNNHIJQPLPR-LLVKDONJSA-N 1 2 339.823 3.697 20 5 EHBDLO CC[C@@H]1C[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CCS1 ZINC000743400746 1131911936 /nfs/dbraw/zinc/91/19/36/1131911936.db2.gz RNEXCEBMMFYJNN-LLVKDONJSA-N 1 2 339.442 3.657 20 5 EHBDLO CC[C@@H]1C[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CCS1 ZINC000743400746 1131911942 /nfs/dbraw/zinc/91/19/42/1131911942.db2.gz RNEXCEBMMFYJNN-LLVKDONJSA-N 1 2 339.442 3.657 20 5 EHBDLO CC1(C)C[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])CCS1 ZINC000769449087 1133292724 /nfs/dbraw/zinc/29/27/24/1133292724.db2.gz XMYNSVBUNJFZTG-UHFFFAOYSA-N 1 2 345.262 3.685 20 5 EHBDLO CC1(C)C[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])CCS1 ZINC000769449087 1133292726 /nfs/dbraw/zinc/29/27/26/1133292726.db2.gz XMYNSVBUNJFZTG-UHFFFAOYSA-N 1 2 345.262 3.685 20 5 EHBDLO C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792861319 1134801003 /nfs/dbraw/zinc/80/10/03/1134801003.db2.gz BAMBODFZHXBUMF-NSHDSACASA-N 1 2 333.319 3.835 20 5 EHBDLO C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792861319 1134801010 /nfs/dbraw/zinc/80/10/10/1134801010.db2.gz BAMBODFZHXBUMF-NSHDSACASA-N 1 2 333.319 3.835 20 5 EHBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(F)c1F ZINC000792875791 1134810190 /nfs/dbraw/zinc/81/01/90/1134810190.db2.gz KBCGAPHSMJYCGE-VIFPVBQESA-N 1 2 337.282 3.632 20 5 EHBDLO CO[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[C@@H]1C ZINC000809984858 1135908749 /nfs/dbraw/zinc/90/87/49/1135908749.db2.gz AYXNAZUUHMNPBW-TVQRCGJNSA-N 1 2 333.215 3.758 20 5 EHBDLO CO[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[C@@H]1C ZINC000809984858 1135908752 /nfs/dbraw/zinc/90/87/52/1135908752.db2.gz AYXNAZUUHMNPBW-TVQRCGJNSA-N 1 2 333.215 3.758 20 5 EHBDLO CO[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[C@H]1C ZINC000809984856 1135908784 /nfs/dbraw/zinc/90/87/84/1135908784.db2.gz AYXNAZUUHMNPBW-NOZJJQNGSA-N 1 2 333.215 3.758 20 5 EHBDLO CO[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[C@H]1C ZINC000809984856 1135908787 /nfs/dbraw/zinc/90/87/87/1135908787.db2.gz AYXNAZUUHMNPBW-NOZJJQNGSA-N 1 2 333.215 3.758 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)ccc1Cl ZINC000810093563 1135920516 /nfs/dbraw/zinc/92/05/16/1135920516.db2.gz OCYLLNWFZZDZNT-HOTGVXAUSA-N 1 2 336.819 3.782 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)ccc1Cl ZINC000810093563 1135920518 /nfs/dbraw/zinc/92/05/18/1135920518.db2.gz OCYLLNWFZZDZNT-HOTGVXAUSA-N 1 2 336.819 3.782 20 5 EHBDLO CCc1cc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])on1 ZINC000811471842 1136095307 /nfs/dbraw/zinc/09/53/07/1136095307.db2.gz YONKHTZMSFMSOR-UHFFFAOYSA-N 1 2 330.171 3.742 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)ccc1Cl ZINC000852651440 1136473842 /nfs/dbraw/zinc/47/38/42/1136473842.db2.gz NFOGTIZSEFWACL-UHFFFAOYSA-N 1 2 336.819 3.639 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)ccc1Cl ZINC000852651440 1136473844 /nfs/dbraw/zinc/47/38/44/1136473844.db2.gz NFOGTIZSEFWACL-UHFFFAOYSA-N 1 2 336.819 3.639 20 5 EHBDLO NC(Cc1ccccc1Cl)=[NH+]OCc1ccc([N+](=O)[O-])c(F)c1 ZINC000820706011 1137002221 /nfs/dbraw/zinc/00/22/21/1137002221.db2.gz IGTAAMIZBYHFAV-UHFFFAOYSA-N 1 2 337.738 3.628 20 5 EHBDLO Cc1ccc(NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(C)[nH+]1 ZINC000777256378 1137142997 /nfs/dbraw/zinc/14/29/97/1137142997.db2.gz WQYLMVZCBMYBAY-UHFFFAOYSA-N 1 2 326.400 3.688 20 5 EHBDLO C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)C[C@H]1n1cc[nH+]c1 ZINC000865613254 1137298758 /nfs/dbraw/zinc/29/87/58/1137298758.db2.gz VVJFQNDBYNCBLM-IAQYHMDHSA-N 1 2 336.342 3.816 20 5 EHBDLO COc1ccc(OC)c(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872018701 1137564851 /nfs/dbraw/zinc/56/48/51/1137564851.db2.gz ORAKQEKYEBDNSZ-NSHDSACASA-N 1 2 334.347 3.602 20 5 EHBDLO Cc1ncc2c(n1)CCC[C@H]2[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872034127 1137566699 /nfs/dbraw/zinc/56/66/99/1137566699.db2.gz IADSNDMRGCESSC-QMTHXVAHSA-N 1 2 330.363 3.561 20 5 EHBDLO C[C@@H]([NH2+]Cc1cnccc1C(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872089030 1137570723 /nfs/dbraw/zinc/57/07/23/1137570723.db2.gz YDDJGMDPGGFAKR-SECBINFHSA-N 1 2 343.280 3.999 20 5 EHBDLO CO[C@H](C)c1nc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)cs1 ZINC000873074971 1137589448 /nfs/dbraw/zinc/58/94/48/1137589448.db2.gz RMPURWIICKASRG-GFCCVEGCSA-N 1 2 335.429 3.665 20 5 EHBDLO CC(C)c1[nH+]c2c(n1C)CCN([C@@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000106372714 1137883478 /nfs/dbraw/zinc/88/34/78/1137883478.db2.gz YQSQOKIMCZTVIU-ZDUSSCGKSA-N 1 2 328.416 3.571 20 5 EHBDLO C[C@@H]1SCC[N@H+](Cc2cccnc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000886014442 1138032380 /nfs/dbraw/zinc/03/23/80/1138032380.db2.gz HQRKTEWTVFTWIH-XJKSGUPXSA-N 1 2 329.425 3.668 20 5 EHBDLO C[C@@H]1SCC[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000886014442 1138032381 /nfs/dbraw/zinc/03/23/81/1138032381.db2.gz HQRKTEWTVFTWIH-XJKSGUPXSA-N 1 2 329.425 3.668 20 5 EHBDLO COc1ccc2c(c1)C[C@H](C)[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]2C ZINC000886122479 1138049159 /nfs/dbraw/zinc/04/91/59/1138049159.db2.gz BQIFTSHVDQJOAV-QWHCGFSZSA-N 1 2 327.384 3.506 20 5 EHBDLO COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]2C ZINC000886122479 1138049161 /nfs/dbraw/zinc/04/91/61/1138049161.db2.gz BQIFTSHVDQJOAV-QWHCGFSZSA-N 1 2 327.384 3.506 20 5 EHBDLO COc1cc(C)c(C[N@H+](C)Cc2csc([N+](=O)[O-])c2)cc1OC ZINC000121831951 1138251012 /nfs/dbraw/zinc/25/10/12/1138251012.db2.gz OASIKHADQHTUMS-UHFFFAOYSA-N 1 2 336.413 3.614 20 5 EHBDLO COc1cc(C)c(C[N@@H+](C)Cc2csc([N+](=O)[O-])c2)cc1OC ZINC000121831951 1138251013 /nfs/dbraw/zinc/25/10/13/1138251013.db2.gz OASIKHADQHTUMS-UHFFFAOYSA-N 1 2 336.413 3.614 20 5 EHBDLO CCO[C@@H](C)c1nc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cs1 ZINC000338349754 1138846546 /nfs/dbraw/zinc/84/65/46/1138846546.db2.gz HMURAXVMQDTRSA-ZDUSSCGKSA-N 1 2 349.456 3.823 20 5 EHBDLO CCO[C@@H](C)c1nc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cs1 ZINC000338349754 1138846552 /nfs/dbraw/zinc/84/65/52/1138846552.db2.gz HMURAXVMQDTRSA-ZDUSSCGKSA-N 1 2 349.456 3.823 20 5 EHBDLO CCO[C@H](C)c1nc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cs1 ZINC000338349753 1138846988 /nfs/dbraw/zinc/84/69/88/1138846988.db2.gz HMURAXVMQDTRSA-CYBMUJFWSA-N 1 2 349.456 3.823 20 5 EHBDLO CCO[C@H](C)c1nc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cs1 ZINC000338349753 1138846991 /nfs/dbraw/zinc/84/69/91/1138846991.db2.gz HMURAXVMQDTRSA-CYBMUJFWSA-N 1 2 349.456 3.823 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](c1ncc(C)s1)C1CC1 ZINC000430211677 1014990606 /nfs/dbraw/zinc/99/06/06/1014990606.db2.gz JUBLVCUUENOKLJ-HNNXBMFYSA-N 1 2 333.413 3.609 20 5 EHBDLO O=[N+]([O-])c1ccc2c(c1)nccc2NC1CCN(c2cccc[nH+]2)CC1 ZINC000593454088 1032706906 /nfs/dbraw/zinc/70/69/06/1032706906.db2.gz AWVWLTWWPURDQZ-UHFFFAOYSA-N 1 2 349.394 3.619 20 5 EHBDLO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])c1 ZINC000182545347 1019707882 /nfs/dbraw/zinc/70/78/82/1019707882.db2.gz HPWZLUVLQPETLK-NSHDSACASA-N 1 2 331.347 3.543 20 5 EHBDLO O=[N+]([O-])c1ccc(N2CCC(c3c[nH]c[nH+]3)CC2)nc1-c1ccccc1 ZINC000341268644 1021247118 /nfs/dbraw/zinc/24/71/18/1021247118.db2.gz ZBCTVXGPCABYQW-UHFFFAOYSA-N 1 2 349.394 3.764 20 5 EHBDLO Cc1ccc([N+](=O)[O-])c(NCc2cc[nH+]c(N3CCCCCC3)c2)n1 ZINC000178217596 1022186455 /nfs/dbraw/zinc/18/64/55/1022186455.db2.gz OUYRLHKDAFVCJE-UHFFFAOYSA-N 1 2 341.415 3.686 20 5 EHBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2nc3cccnc3s2)C2CC2)c1 ZINC000341572162 1022355113 /nfs/dbraw/zinc/35/51/13/1022355113.db2.gz GVLJIPSMRTUAJU-UHFFFAOYSA-N 1 2 340.408 3.764 20 5 EHBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2nc3cccnc3s2)C2CC2)c1 ZINC000341572162 1022355125 /nfs/dbraw/zinc/35/51/25/1022355125.db2.gz GVLJIPSMRTUAJU-UHFFFAOYSA-N 1 2 340.408 3.764 20 5 EHBDLO O=[N+]([O-])c1c(F)cccc1NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000063254711 1033143776 /nfs/dbraw/zinc/14/37/76/1033143776.db2.gz XLISAJHLGXQMBD-UHFFFAOYSA-N 1 2 330.294 3.671 20 5 EHBDLO C[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1cc(F)c(Cl)cc1Cl ZINC000602796523 1033170385 /nfs/dbraw/zinc/17/03/85/1033170385.db2.gz BINFINHKLZKNKI-ZETCQYMHSA-N 1 2 347.177 3.625 20 5 EHBDLO O=[N+]([O-])c1cc(Cl)cnc1NC1CCC(Nc2cccc[nH+]2)CC1 ZINC000346108719 1024406317 /nfs/dbraw/zinc/40/63/17/1024406317.db2.gz XVRUJVRLZCVLBF-UHFFFAOYSA-N 1 2 347.806 3.873 20 5 EHBDLO COc1c(C)cc(C[N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])cc1C ZINC000507917684 1024766340 /nfs/dbraw/zinc/76/63/40/1024766340.db2.gz BWSCIJSYOIBSNJ-UHFFFAOYSA-N 1 2 332.375 3.991 20 5 EHBDLO COc1c(C)cc(C[N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])cc1C ZINC000507917684 1024766351 /nfs/dbraw/zinc/76/63/51/1024766351.db2.gz BWSCIJSYOIBSNJ-UHFFFAOYSA-N 1 2 332.375 3.991 20 5 EHBDLO CC[N@H+](Cc1ccoc1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000092935998 1024926243 /nfs/dbraw/zinc/92/62/43/1024926243.db2.gz HOCKTRCQYDTELA-UHFFFAOYSA-N 1 2 326.299 3.811 20 5 EHBDLO CC[N@@H+](Cc1ccoc1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000092935998 1024926253 /nfs/dbraw/zinc/92/62/53/1024926253.db2.gz HOCKTRCQYDTELA-UHFFFAOYSA-N 1 2 326.299 3.811 20 5 EHBDLO COCC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000505779166 1025497816 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345.374 3.583 20 5 EHBDLO CCC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1F ZINC000604493341 1034400509 /nfs/dbraw/zinc/40/05/09/1034400509.db2.gz RUJIIHHMVRWCRW-UHFFFAOYSA-N 1 2 345.374 3.585 20 5 EHBDLO CCC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1F ZINC000604493341 1034400513 /nfs/dbraw/zinc/40/05/13/1034400513.db2.gz RUJIIHHMVRWCRW-UHFFFAOYSA-N 1 2 345.374 3.585 20 5 EHBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1c[nH+]c(C)cc1C ZINC000456826401 1034770486 /nfs/dbraw/zinc/77/04/86/1034770486.db2.gz AWUCZUCFNBMNEI-UHFFFAOYSA-N 1 2 345.424 3.649 20 5 EHBDLO CC(=O)c1cc(Nc2ccc(N3CCCCC3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000582597569 1036013564 /nfs/dbraw/zinc/01/35/64/1036013564.db2.gz TZTAWFLPIRQURK-UHFFFAOYSA-N 1 2 340.383 3.926 20 5 EHBDLO Cc1cn2c([nH+]1)[C@H](CNc1ccc([N+](=O)[O-])c3cnccc13)CCC2 ZINC000378227313 1038262127 /nfs/dbraw/zinc/26/21/27/1038262127.db2.gz CGVIJKUSFRTUAO-ZDUSSCGKSA-N 1 2 337.383 3.637 20 5 EHBDLO COc1cc(C[N@@H+]2CCc3cccc(F)c3[C@@H]2C)ccc1[N+](=O)[O-] ZINC000538709469 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BXCFEFBJODOGSO-UHFFFAOYSA-N 1 2 325.343 3.774 20 5 EHBDLO CC(C)(C)c1c[nH+]c2ccc(-c3cc([N+](=O)[O-])ccc3CO)cn21 ZINC000906172744 1039349551 /nfs/dbraw/zinc/34/95/51/1039349551.db2.gz UOJCTWSMZLDYJD-UHFFFAOYSA-N 1 2 325.368 3.699 20 5 EHBDLO Cc1cc(C)c(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c(C)[nH+]1 ZINC000907248934 1039984581 /nfs/dbraw/zinc/98/45/81/1039984581.db2.gz SPTRUOANRCOWJK-UHFFFAOYSA-N 1 2 347.802 3.541 20 5 EHBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1c[nH]c2ccccc12 ZINC000490025168 1040293642 /nfs/dbraw/zinc/29/36/42/1040293642.db2.gz IUZZGOSAIYZUJA-UHFFFAOYSA-N 1 2 349.390 3.923 20 5 EHBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1c[nH]c2ccccc12 ZINC000490025168 1040293660 /nfs/dbraw/zinc/29/36/60/1040293660.db2.gz IUZZGOSAIYZUJA-UHFFFAOYSA-N 1 2 349.390 3.923 20 5 EHBDLO CC(C)OCCC[N@H+](C)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000769464395 1133296639 /nfs/dbraw/zinc/29/66/39/1133296639.db2.gz VYFRSSMKMHWODC-UHFFFAOYSA-N 1 2 345.237 3.604 20 5 EHBDLO CC(C)OCCC[N@@H+](C)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000769464395 1133296644 /nfs/dbraw/zinc/29/66/44/1133296644.db2.gz VYFRSSMKMHWODC-UHFFFAOYSA-N 1 2 345.237 3.604 20 5 EHBDLO CO[C@@H](C)c1nc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000165237681 1042705991 /nfs/dbraw/zinc/70/59/91/1042705991.db2.gz DSLWVYIMPSQHSD-NEPJUHHUSA-N 1 2 335.429 3.918 20 5 EHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000552278185 1127728157 /nfs/dbraw/zinc/72/81/57/1127728157.db2.gz VDPVSHGZECWCSC-UHFFFAOYSA-N 1 2 334.416 3.529 20 5 EHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOC2(CCCCC2)C1 ZINC000552278185 1127728160 /nfs/dbraw/zinc/72/81/60/1127728160.db2.gz VDPVSHGZECWCSC-UHFFFAOYSA-N 1 2 334.416 3.529 20 5 EHBDLO Cc1c(CNc2ccc(N3CCCCC3)c[nH+]2)cccc1[N+](=O)[O-] ZINC001648874291 1120059562 /nfs/dbraw/zinc/05/95/62/1120059562.db2.gz WIZWXCROAMFXRG-UHFFFAOYSA-N 1 2 326.400 3.901 20 5 EHBDLO Cc1cc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000301767558 1129045888 /nfs/dbraw/zinc/04/58/88/1129045888.db2.gz IHXRFQWGGJBWKR-GFCCVEGCSA-N 1 2 332.791 3.642 20 5 EHBDLO CC(C)n1ncc2cc(C[N@H+](C)Cc3ccccc3[N+](=O)[O-])cnc21 ZINC000195067817 1123140886 /nfs/dbraw/zinc/14/08/86/1123140886.db2.gz BYSCQAAHBTZPEZ-UHFFFAOYSA-N 1 2 339.399 3.552 20 5 EHBDLO CC(C)n1ncc2cc(C[N@@H+](C)Cc3ccccc3[N+](=O)[O-])cnc21 ZINC000195067817 1123140889 /nfs/dbraw/zinc/14/08/89/1123140889.db2.gz BYSCQAAHBTZPEZ-UHFFFAOYSA-N 1 2 339.399 3.552 20 5 EHBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2cccc(F)c2F)CC1 ZINC000609672073 1123641622 /nfs/dbraw/zinc/64/16/22/1123641622.db2.gz XFYAPYKMTSTNMN-CYBMUJFWSA-N 1 2 347.365 3.756 20 5 EHBDLO CCOc1cccc(NCc2ccccc2-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000302645815 1129784204 /nfs/dbraw/zinc/78/42/04/1129784204.db2.gz JBSUHYHYTDMTLG-UHFFFAOYSA-N 1 2 338.367 3.791 20 5 EHBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171620706 1130073472 /nfs/dbraw/zinc/07/34/72/1130073472.db2.gz TVMWINVRGUDHGK-UHFFFAOYSA-N 1 2 337.379 3.513 20 5 EHBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171620706 1130073479 /nfs/dbraw/zinc/07/34/79/1130073479.db2.gz TVMWINVRGUDHGK-UHFFFAOYSA-N 1 2 337.379 3.513 20 5 EHBDLO Cc1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1[N+](=O)[O-] ZINC000768334911 1133126291 /nfs/dbraw/zinc/12/62/91/1133126291.db2.gz PWQGQMPGJLHRCT-UHFFFAOYSA-N 1 2 341.367 3.976 20 5 EHBDLO Cc1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1[N+](=O)[O-] ZINC000768334911 1133126293 /nfs/dbraw/zinc/12/62/93/1133126293.db2.gz PWQGQMPGJLHRCT-UHFFFAOYSA-N 1 2 341.367 3.976 20 5 EHBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2ncccc2C(F)(F)F)c1 ZINC001178170085 1133143972 /nfs/dbraw/zinc/14/39/72/1133143972.db2.gz IEHVPQCSNHKORF-UHFFFAOYSA-N 1 2 345.708 3.952 20 5 EHBDLO O=[N+]([O-])c1ccc(-c2noc(-c3ccc(-n4cc[nH+]c4)cc3)n2)s1 ZINC000771216160 1133528362 /nfs/dbraw/zinc/52/83/62/1133528362.db2.gz KNVRGUQKRJEPAM-UHFFFAOYSA-N 1 2 339.336 3.559 20 5 EHBDLO C[N@H+](CCOc1ccccc1F)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000788466569 1134128776 /nfs/dbraw/zinc/12/87/76/1134128776.db2.gz ZMFUELOCGKXQOP-UHFFFAOYSA-N 1 2 338.766 3.898 20 5 EHBDLO C[N@@H+](CCOc1ccccc1F)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000788466569 1134128782 /nfs/dbraw/zinc/12/87/82/1134128782.db2.gz ZMFUELOCGKXQOP-UHFFFAOYSA-N 1 2 338.766 3.898 20 5 EHBDLO CCOc1cc(C[N@@H+]2CCc3cccc(OC)c3C2)ccc1[N+](=O)[O-] ZINC001194400681 1135263958 /nfs/dbraw/zinc/26/39/58/1135263958.db2.gz LVBFTVLGGYVBKB-UHFFFAOYSA-N 1 2 342.395 3.560 20 5 EHBDLO CCOc1cc(C[N@H+]2CCc3cccc(OC)c3C2)ccc1[N+](=O)[O-] ZINC001194400681 1135263962 /nfs/dbraw/zinc/26/39/62/1135263962.db2.gz LVBFTVLGGYVBKB-UHFFFAOYSA-N 1 2 342.395 3.560 20 5 EHBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CCCC[C@H]1CCO ZINC000809942951 1135903390 /nfs/dbraw/zinc/90/33/90/1135903390.db2.gz QNZXHQMNIKIYJB-LBPRGKRZSA-N 1 2 333.215 3.639 20 5 EHBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CCCC[C@H]1CCO ZINC000809942951 1135903394 /nfs/dbraw/zinc/90/33/94/1135903394.db2.gz QNZXHQMNIKIYJB-LBPRGKRZSA-N 1 2 333.215 3.639 20 5 EHBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000810093374 1135920417 /nfs/dbraw/zinc/92/04/17/1135920417.db2.gz NHOHCOODRRVCHO-JKSUJKDBSA-N 1 2 336.819 3.782 20 5 EHBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000810093374 1135920421 /nfs/dbraw/zinc/92/04/21/1135920421.db2.gz NHOHCOODRRVCHO-JKSUJKDBSA-N 1 2 336.819 3.782 20 5 EHBDLO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCc2[nH+]c[nH]c2C1 ZINC000820580970 1136998089 /nfs/dbraw/zinc/99/80/89/1136998089.db2.gz JFCQUKDDERBSRR-UHFFFAOYSA-N 1 2 346.696 3.553 20 5 EHBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000886300502 1138065786 /nfs/dbraw/zinc/06/57/86/1138065786.db2.gz JPMUZYBGLWLHJU-UHFFFAOYSA-N 1 2 337.301 3.567 20 5 EHBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000886300502 1138065789 /nfs/dbraw/zinc/06/57/89/1138065789.db2.gz JPMUZYBGLWLHJU-UHFFFAOYSA-N 1 2 337.301 3.567 20 5 EHBDLO Cc1ncsc1C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000066563642 1138076057 /nfs/dbraw/zinc/07/60/57/1138076057.db2.gz LQASUQHOIAUDHY-UHFFFAOYSA-N 1 2 335.429 3.779 20 5 EHBDLO Cc1ncsc1C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000066563642 1138076060 /nfs/dbraw/zinc/07/60/60/1138076060.db2.gz LQASUQHOIAUDHY-UHFFFAOYSA-N 1 2 335.429 3.779 20 5 EHBDLO CC1=C(c2ccco2)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000338357935 1138852280 /nfs/dbraw/zinc/85/22/80/1138852280.db2.gz PFPJDIWSWKBHRQ-UHFFFAOYSA-N 1 2 338.367 3.744 20 5 EHBDLO CC1=C(c2ccco2)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000338357935 1138852293 /nfs/dbraw/zinc/85/22/93/1138852293.db2.gz PFPJDIWSWKBHRQ-UHFFFAOYSA-N 1 2 338.367 3.744 20 5 EHBDLO CC(C)c1nc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)no1 ZINC000267047552 1140753611 /nfs/dbraw/zinc/75/36/11/1140753611.db2.gz QAVHNEGTWBLJSZ-CYBMUJFWSA-N 1 2 348.378 3.620 20 5 EHBDLO CC(C)c1nc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)no1 ZINC000267047552 1140753618 /nfs/dbraw/zinc/75/36/18/1140753618.db2.gz QAVHNEGTWBLJSZ-CYBMUJFWSA-N 1 2 348.378 3.620 20 5 EHBDLO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3CCCc4cn[nH]c43)o2)c1 ZINC000268861395 1141010964 /nfs/dbraw/zinc/01/09/64/1141010964.db2.gz SEZQRQRNEWZPQY-INIZCTEOSA-N 1 2 338.367 3.745 20 5 EHBDLO Cc1ccc([C@@H](C)[NH2+][C@H](CO)c2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000271543423 1141393968 /nfs/dbraw/zinc/39/39/68/1141393968.db2.gz YWNWUEQZNBYGFF-IAQYHMDHSA-N 1 2 336.338 3.566 20 5 EHBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@@H]3c3ccccc3)n2)c1 ZINC000348526723 1141546011 /nfs/dbraw/zinc/54/60/11/1141546011.db2.gz WNGCZOMHAPPHIR-MRXNPFEDSA-N 1 2 336.351 3.592 20 5 EHBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@@H]3c3ccccc3)n2)c1 ZINC000348526723 1141546013 /nfs/dbraw/zinc/54/60/13/1141546013.db2.gz WNGCZOMHAPPHIR-MRXNPFEDSA-N 1 2 336.351 3.592 20 5 EHBDLO C[C@H]1c2ccsc2CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083132251 1016375251 /nfs/dbraw/zinc/37/52/51/1016375251.db2.gz NKTHRXXUJDPIGR-JTQLQIEISA-N 1 2 329.381 3.917 20 5 EHBDLO C[C@H]1c2ccsc2CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083132251 1016375267 /nfs/dbraw/zinc/37/52/67/1016375267.db2.gz NKTHRXXUJDPIGR-JTQLQIEISA-N 1 2 329.381 3.917 20 5 EHBDLO COC(=O)c1oc([C@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1C ZINC000537178859 1032550567 /nfs/dbraw/zinc/55/05/67/1032550567.db2.gz DTKULSRBNHHBFE-NEPJUHHUSA-N 1 2 332.356 3.695 20 5 EHBDLO Cc1ccc(C[NH2+][C@@H](COCC(C)C)c2ccco2)cc1[N+](=O)[O-] ZINC000101596992 1018373812 /nfs/dbraw/zinc/37/38/12/1018373812.db2.gz FMVUAXLYDWJNNW-INIZCTEOSA-N 1 2 332.400 4.000 20 5 EHBDLO CN1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)Cc2ccccc21 ZINC000761254808 1032900875 /nfs/dbraw/zinc/90/08/75/1032900875.db2.gz QCUUAXUVKXAYRI-UHFFFAOYSA-N 1 2 331.803 3.700 20 5 EHBDLO CN1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)Cc2ccccc21 ZINC000761254808 1032900888 /nfs/dbraw/zinc/90/08/88/1032900888.db2.gz QCUUAXUVKXAYRI-UHFFFAOYSA-N 1 2 331.803 3.700 20 5 EHBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000505881643 1021241554 /nfs/dbraw/zinc/24/15/54/1021241554.db2.gz PRWLGZJAYLQUDF-MRXNPFEDSA-N 1 2 344.386 3.915 20 5 EHBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000505881643 1021241562 /nfs/dbraw/zinc/24/15/62/1021241562.db2.gz PRWLGZJAYLQUDF-MRXNPFEDSA-N 1 2 344.386 3.915 20 5 EHBDLO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCCOc4ccccc43)nc2c1 ZINC000602529704 1032964881 /nfs/dbraw/zinc/96/48/81/1032964881.db2.gz QTGKYWCGPVXBCF-CQSZACIVSA-N 1 2 339.351 3.740 20 5 EHBDLO Cc1cc(-c2nnc(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)o2)c(C)o1 ZINC000341580918 1022389250 /nfs/dbraw/zinc/38/92/50/1022389250.db2.gz CTBFDEXFNRKBTL-NSHDSACASA-N 1 2 342.355 3.705 20 5 EHBDLO O=[N+]([O-])c1ccc(N2CCC(Nc3cccc[nH+]3)CC2)c2ccncc21 ZINC000895355752 1024374437 /nfs/dbraw/zinc/37/44/37/1024374437.db2.gz OXCNYHWWRBNNFT-UHFFFAOYSA-N 1 2 349.394 3.619 20 5 EHBDLO C[N@H+](CCOc1ccccc1Cl)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505581769 1024533357 /nfs/dbraw/zinc/53/33/57/1024533357.db2.gz MFAXZNFPXRCJKQ-UHFFFAOYSA-N 1 2 338.766 3.898 20 5 EHBDLO C[N@@H+](CCOc1ccccc1Cl)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505581769 1024533366 /nfs/dbraw/zinc/53/33/66/1024533366.db2.gz MFAXZNFPXRCJKQ-UHFFFAOYSA-N 1 2 338.766 3.898 20 5 EHBDLO CCC1(CC)C[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC[S@]1=O ZINC000185272157 1024722730 /nfs/dbraw/zinc/72/27/30/1024722730.db2.gz HPADLINXUCBUMW-LFVRLGFBSA-N 1 2 338.473 3.587 20 5 EHBDLO CCC1(CC)C[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC[S@]1=O ZINC000185272157 1024722836 /nfs/dbraw/zinc/72/28/36/1024722836.db2.gz HPADLINXUCBUMW-LFVRLGFBSA-N 1 2 338.473 3.587 20 5 EHBDLO CC(C)Oc1cccc([C@@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000515389550 1025202037 /nfs/dbraw/zinc/20/20/37/1025202037.db2.gz IDRVFDSIHXNVBD-CYBMUJFWSA-N 1 2 330.384 3.938 20 5 EHBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]Cc2cnc(Cl)s2)c1 ZINC000895156057 1025253046 /nfs/dbraw/zinc/25/30/46/1025253046.db2.gz RNTPCDGYJXEIRE-UHFFFAOYSA-N 1 2 349.746 3.596 20 5 EHBDLO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000185636742 1025481920 /nfs/dbraw/zinc/48/19/20/1025481920.db2.gz HQMPZJRRYNDWLC-UHFFFAOYSA-N 1 2 330.413 3.568 20 5 EHBDLO COCCn1c2ccccc2[nH+]c1NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000185841933 1026003726 /nfs/dbraw/zinc/00/37/26/1026003726.db2.gz DYAAYISBWTXGKZ-UHFFFAOYSA-N 1 2 340.383 3.511 20 5 EHBDLO Cc1cc(C)c(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)c[nH+]1 ZINC000413318159 1027517899 /nfs/dbraw/zinc/51/78/99/1027517899.db2.gz NHXFFBGOLOGRJZ-UHFFFAOYSA-N 1 2 326.278 3.633 20 5 EHBDLO Cc1cc(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)cc(C)[nH+]1 ZINC000420654339 1027671946 /nfs/dbraw/zinc/67/19/46/1027671946.db2.gz PZOIZCDMYXYLRY-UHFFFAOYSA-N 1 2 326.278 3.633 20 5 EHBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421581226 1028577569 /nfs/dbraw/zinc/57/75/69/1028577569.db2.gz XWVXJLXFWHVADM-UHFFFAOYSA-N 1 2 345.424 3.649 20 5 EHBDLO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)C1(C)C ZINC000509670493 1028734374 /nfs/dbraw/zinc/73/43/74/1028734374.db2.gz JTKQXWLZDZRZEB-HUUCEWRRSA-N 1 2 328.359 3.508 20 5 EHBDLO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)C1(C)C ZINC000509670493 1028734390 /nfs/dbraw/zinc/73/43/90/1028734390.db2.gz JTKQXWLZDZRZEB-HUUCEWRRSA-N 1 2 328.359 3.508 20 5 EHBDLO CCO[C@H]1C[C@@H]([N@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)C1(C)C ZINC000509670490 1028734816 /nfs/dbraw/zinc/73/48/16/1028734816.db2.gz JTKQXWLZDZRZEB-CABCVRRESA-N 1 2 328.359 3.508 20 5 EHBDLO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)C1(C)C ZINC000509670490 1028734831 /nfs/dbraw/zinc/73/48/31/1028734831.db2.gz JTKQXWLZDZRZEB-CABCVRRESA-N 1 2 328.359 3.508 20 5 EHBDLO Cc1ccccc1[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000524757648 1029488097 /nfs/dbraw/zinc/48/80/97/1029488097.db2.gz UHPKQSZDXYCZET-KXBFYZLASA-N 1 2 326.396 3.865 20 5 EHBDLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000524757648 1029488106 /nfs/dbraw/zinc/48/81/06/1029488106.db2.gz UHPKQSZDXYCZET-KXBFYZLASA-N 1 2 326.396 3.865 20 5 EHBDLO COc1cc(C[N@H+](Cc2cccs2)C2CC2)c([N+](=O)[O-])cc1OC ZINC000130248723 1029497392 /nfs/dbraw/zinc/49/73/92/1029497392.db2.gz LTOVILNXIFTXES-UHFFFAOYSA-N 1 2 348.424 3.838 20 5 EHBDLO COc1cc(C[N@@H+](Cc2cccs2)C2CC2)c([N+](=O)[O-])cc1OC ZINC000130248723 1029497403 /nfs/dbraw/zinc/49/74/03/1029497403.db2.gz LTOVILNXIFTXES-UHFFFAOYSA-N 1 2 348.424 3.838 20 5 EHBDLO C[C@H](c1cccs1)[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000052283231 1029659130 /nfs/dbraw/zinc/65/91/30/1029659130.db2.gz LVBREBWIRMWBAI-LLVKDONJSA-N 1 2 344.396 3.899 20 5 EHBDLO C[C@H](c1cccs1)[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000052283231 1029659140 /nfs/dbraw/zinc/65/91/40/1029659140.db2.gz LVBREBWIRMWBAI-LLVKDONJSA-N 1 2 344.396 3.899 20 5 EHBDLO CC(C)c1nnc([C@@H](C)[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)[nH]1 ZINC000278597188 1031581877 /nfs/dbraw/zinc/58/18/77/1031581877.db2.gz AJDYBHQUBMWJLP-IAQYHMDHSA-N 1 2 343.431 3.910 20 5 EHBDLO CC(C)c1nnc([C@@H](C)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)[nH]1 ZINC000278610972 1031636579 /nfs/dbraw/zinc/63/65/79/1031636579.db2.gz FPTGUAMYFAPEHT-IAQYHMDHSA-N 1 2 329.404 3.565 20 5 EHBDLO CC(C)c1nnc([C@H](C)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)[nH]1 ZINC000278610976 1031637168 /nfs/dbraw/zinc/63/71/68/1031637168.db2.gz FPTGUAMYFAPEHT-NHYWBVRUSA-N 1 2 329.404 3.565 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000052803223 1031705653 /nfs/dbraw/zinc/70/56/53/1031705653.db2.gz FAHSCTKSLMGZNE-INIZCTEOSA-N 1 2 345.424 3.740 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000052803223 1031705664 /nfs/dbraw/zinc/70/56/64/1031705664.db2.gz FAHSCTKSLMGZNE-INIZCTEOSA-N 1 2 345.424 3.740 20 5 EHBDLO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1COc2cc(F)cc(F)c21 ZINC000594502328 1033404174 /nfs/dbraw/zinc/40/41/74/1033404174.db2.gz YNKDUBYPJAMXDM-KBPBESRZSA-N 1 2 332.306 3.584 20 5 EHBDLO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1c(F)cccc1Cl ZINC000603838673 1033950297 /nfs/dbraw/zinc/95/02/97/1033950297.db2.gz AFDQBZPTSVTSOB-UHFFFAOYSA-N 1 2 338.766 3.898 20 5 EHBDLO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1c(F)cccc1Cl ZINC000603838673 1033950307 /nfs/dbraw/zinc/95/03/07/1033950307.db2.gz AFDQBZPTSVTSOB-UHFFFAOYSA-N 1 2 338.766 3.898 20 5 EHBDLO C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c2ccccc21 ZINC000129983126 1034856328 /nfs/dbraw/zinc/85/63/28/1034856328.db2.gz INLMBDXMRPEXMG-ZDUSSCGKSA-N 1 2 348.362 3.544 20 5 EHBDLO COC[C@@H]1CC[N@@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000516874742 1034922286 /nfs/dbraw/zinc/92/22/86/1034922286.db2.gz BZBORDVFVNCDPH-HNNXBMFYSA-N 1 2 346.358 3.747 20 5 EHBDLO COC[C@@H]1CC[N@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000516874742 1034922297 /nfs/dbraw/zinc/92/22/97/1034922297.db2.gz BZBORDVFVNCDPH-HNNXBMFYSA-N 1 2 346.358 3.747 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000492686218 1036175821 /nfs/dbraw/zinc/17/58/21/1036175821.db2.gz XZEBAKADFNODIR-QWHCGFSZSA-N 1 2 345.365 3.533 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000492686218 1036175829 /nfs/dbraw/zinc/17/58/29/1036175829.db2.gz XZEBAKADFNODIR-QWHCGFSZSA-N 1 2 345.365 3.533 20 5 EHBDLO Cc1cc(N2CCC(CCCn3cc[nH+]c3)CC2)ccc1[N+](=O)[O-] ZINC000542119201 1037094301 /nfs/dbraw/zinc/09/43/01/1037094301.db2.gz PAMNIJBJZBVQPX-UHFFFAOYSA-N 1 2 328.416 3.797 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(Cc2ccsc2)CC1 ZINC000539802732 1037215894 /nfs/dbraw/zinc/21/58/94/1037215894.db2.gz MXZNSPADYJDPMI-OAHLLOKOSA-N 1 2 345.468 3.844 20 5 EHBDLO Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000539827338 1037251627 /nfs/dbraw/zinc/25/16/27/1037251627.db2.gz RKPDTGJEOJCVLD-UHFFFAOYSA-N 1 2 348.406 3.647 20 5 EHBDLO Cc1nn(-c2ccccc2)cc1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000539827338 1037251646 /nfs/dbraw/zinc/25/16/46/1037251646.db2.gz RKPDTGJEOJCVLD-UHFFFAOYSA-N 1 2 348.406 3.647 20 5 EHBDLO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1cccc([N+](=O)[O-])c1 ZINC000090401086 1038054752 /nfs/dbraw/zinc/05/47/52/1038054752.db2.gz KEBMTOIZMYYDLO-GFCCVEGCSA-N 1 2 340.408 3.964 20 5 EHBDLO COc1cc(C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)c([N+](=O)[O-])cc1OC ZINC000540552957 1038088245 /nfs/dbraw/zinc/08/82/45/1038088245.db2.gz AKXWJNNDOABSFI-BXUZGUMPSA-N 1 2 346.383 3.618 20 5 EHBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000538550620 1038375939 /nfs/dbraw/zinc/37/59/39/1038375939.db2.gz DDGJOMMQTPBHLB-UHFFFAOYSA-N 1 2 345.424 3.865 20 5 EHBDLO CC(C)(C)Oc1cc(NCCCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000538706884 1038482767 /nfs/dbraw/zinc/48/27/67/1038482767.db2.gz KBOCXOIWOQNWGK-UHFFFAOYSA-N 1 2 332.404 3.861 20 5 EHBDLO C[C@@H]1CC[C@@H](OC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC001126303420 1043003942 /nfs/dbraw/zinc/00/39/42/1043003942.db2.gz IXRMCQRQEBVXTL-IIYDPXPESA-N 1 2 343.383 3.762 20 5 EHBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000585756376 1043025350 /nfs/dbraw/zinc/02/53/50/1043025350.db2.gz GZTONAHSDYSATH-UZLBHIALSA-N 1 2 339.439 3.515 20 5 EHBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000585756376 1043025356 /nfs/dbraw/zinc/02/53/56/1043025356.db2.gz GZTONAHSDYSATH-UZLBHIALSA-N 1 2 339.439 3.515 20 5 EHBDLO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1F)c1c(F)cccc1F ZINC000301310172 1127737063 /nfs/dbraw/zinc/73/70/63/1127737063.db2.gz YYVQGFQZXHGTGU-HNNXBMFYSA-N 1 2 339.317 3.727 20 5 EHBDLO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1Br)c1ccccn1 ZINC000235189407 1120197617 /nfs/dbraw/zinc/19/76/17/1120197617.db2.gz PAZTWDOFYYGYBK-SNVBAGLBSA-N 1 2 336.189 3.603 20 5 EHBDLO CC(C)(C)c1ccc([C@H]2CCC[N@@H+]2Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000917474143 1122612571 /nfs/dbraw/zinc/61/25/71/1122612571.db2.gz LDTXKICORLOSMN-QGZVFWFLSA-N 1 2 328.416 3.883 20 5 EHBDLO CC(C)(C)c1ccc([C@H]2CCC[N@H+]2Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000917474143 1122612574 /nfs/dbraw/zinc/61/25/74/1122612574.db2.gz LDTXKICORLOSMN-QGZVFWFLSA-N 1 2 328.416 3.883 20 5 EHBDLO COc1c(C)cnc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1C ZINC000130976306 1129134313 /nfs/dbraw/zinc/13/43/13/1129134313.db2.gz GALVAXKIADGDEW-UHFFFAOYSA-N 1 2 341.411 3.780 20 5 EHBDLO COc1c(C)cnc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1C ZINC000130976306 1129134317 /nfs/dbraw/zinc/13/43/17/1129134317.db2.gz GALVAXKIADGDEW-UHFFFAOYSA-N 1 2 341.411 3.780 20 5 EHBDLO CC[C@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000609625671 1123628135 /nfs/dbraw/zinc/62/81/35/1123628135.db2.gz MXDKQSNTEFKMLX-KRWDZBQOSA-N 1 2 339.395 3.543 20 5 EHBDLO CC[C@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000609625671 1123628138 /nfs/dbraw/zinc/62/81/38/1123628138.db2.gz MXDKQSNTEFKMLX-KRWDZBQOSA-N 1 2 339.395 3.543 20 5 EHBDLO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609704745 1123647809 /nfs/dbraw/zinc/64/78/09/1123647809.db2.gz FDIQUCGPPAKILR-UHFFFAOYSA-N 1 2 334.759 3.609 20 5 EHBDLO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609704745 1123647812 /nfs/dbraw/zinc/64/78/12/1123647812.db2.gz FDIQUCGPPAKILR-UHFFFAOYSA-N 1 2 334.759 3.609 20 5 EHBDLO Cc1ccc([C@H](C)[NH2+]Cc2nnc(-c3ccccc3)o2)cc1[N+](=O)[O-] ZINC000181831459 1125053935 /nfs/dbraw/zinc/05/39/35/1125053935.db2.gz LJXZQQAUUDHYOL-ZDUSSCGKSA-N 1 2 338.367 3.804 20 5 EHBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1c2ccccc2OC[C@H]1F ZINC000922521453 1129561056 /nfs/dbraw/zinc/56/10/56/1129561056.db2.gz JWKKYPMOGUUHFB-CRAIPNDOSA-N 1 2 330.359 3.773 20 5 EHBDLO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1nc(-c2ccncc2)cs1 ZINC000124079278 1129578923 /nfs/dbraw/zinc/57/89/23/1129578923.db2.gz MXUHEJORYASVER-GFCCVEGCSA-N 1 2 340.408 3.964 20 5 EHBDLO O=[N+]([O-])c1ccc(-c2noc(-c3cccc(-n4cc[nH+]c4)c3)n2)s1 ZINC000350874302 1129790910 /nfs/dbraw/zinc/79/09/10/1129790910.db2.gz NELPWWPBIMVMLT-UHFFFAOYSA-N 1 2 339.336 3.559 20 5 EHBDLO CCc1ccc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1[N+](=O)[O-] ZINC000174154947 1130337949 /nfs/dbraw/zinc/33/79/49/1130337949.db2.gz FUQHANBIRRIEKI-UHFFFAOYSA-N 1 2 336.351 3.800 20 5 EHBDLO CC[N@H+](C)[C@@H](C(=O)OCc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000745098704 1132194305 /nfs/dbraw/zinc/19/43/05/1132194305.db2.gz VCNGSCJZYQBRFQ-GOSISDBHSA-N 1 2 342.395 3.639 20 5 EHBDLO CC[N@@H+](C)[C@@H](C(=O)OCc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000745098704 1132194307 /nfs/dbraw/zinc/19/43/07/1132194307.db2.gz VCNGSCJZYQBRFQ-GOSISDBHSA-N 1 2 342.395 3.639 20 5 EHBDLO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000766942608 1132920040 /nfs/dbraw/zinc/92/00/40/1132920040.db2.gz ZXELGFAETXNXTI-UHFFFAOYSA-N 1 2 342.786 3.724 20 5 EHBDLO C[C@@H]1C[NH+](Cc2c(Br)cccc2[N+](=O)[O-])C[C@@H](C)S1 ZINC000769140159 1133231056 /nfs/dbraw/zinc/23/10/56/1133231056.db2.gz CTJIMUDJFWRKRI-NXEZZACHSA-N 1 2 345.262 3.683 20 5 EHBDLO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746653213 1133962500 /nfs/dbraw/zinc/96/25/00/1133962500.db2.gz JOCGYEKFCWGCFQ-UHFFFAOYSA-N 1 2 334.759 3.609 20 5 EHBDLO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746653213 1133962503 /nfs/dbraw/zinc/96/25/03/1133962503.db2.gz JOCGYEKFCWGCFQ-UHFFFAOYSA-N 1 2 334.759 3.609 20 5 EHBDLO COc1c(C)c[nH+]c(CN(C)c2cc(C)c([N+](=O)[O-])cc2F)c1C ZINC001185089422 1134027106 /nfs/dbraw/zinc/02/71/06/1134027106.db2.gz XRSYDRYWOCDQSR-UHFFFAOYSA-N 1 2 333.363 3.699 20 5 EHBDLO CCNc1ccc(Nc2c(Br)cccc2[N+](=O)[O-])c[nH+]1 ZINC001187920956 1134400720 /nfs/dbraw/zinc/40/07/20/1134400720.db2.gz MFRNXHKDYNGSQH-UHFFFAOYSA-N 1 2 337.177 3.928 20 5 EHBDLO Cc1ccc([C@H]2C[C@@H](C)[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)cc1 ZINC001193932710 1135200900 /nfs/dbraw/zinc/20/09/00/1135200900.db2.gz RLJPSAMBSKZFRR-ZBFHGGJFSA-N 1 2 326.396 3.987 20 5 EHBDLO Cc1ccc([C@H]2C[C@@H](C)[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)cc1 ZINC001193932710 1135200906 /nfs/dbraw/zinc/20/09/06/1135200906.db2.gz RLJPSAMBSKZFRR-ZBFHGGJFSA-N 1 2 326.396 3.987 20 5 EHBDLO CC(=O)c1ccc([N+](=O)[O-])cc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000807941163 1135593789 /nfs/dbraw/zinc/59/37/89/1135593789.db2.gz RYQNWBVCLLOLNV-UHFFFAOYSA-N 1 2 336.351 3.595 20 5 EHBDLO COc1cc(C[N@@H+]2CCc3ccsc3[C@H]2C)c([N+](=O)[O-])cc1F ZINC001197431157 1135691462 /nfs/dbraw/zinc/69/14/62/1135691462.db2.gz CKGMZOKZOKNZRD-SNVBAGLBSA-N 1 2 336.388 3.923 20 5 EHBDLO COc1cc(C[N@H+]2CCc3ccsc3[C@H]2C)c([N+](=O)[O-])cc1F ZINC001197431157 1135691464 /nfs/dbraw/zinc/69/14/64/1135691464.db2.gz CKGMZOKZOKNZRD-SNVBAGLBSA-N 1 2 336.388 3.923 20 5 EHBDLO CO[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[C@@H]1C ZINC000809984859 1135908533 /nfs/dbraw/zinc/90/85/33/1135908533.db2.gz AYXNAZUUHMNPBW-ZANVPECISA-N 1 2 333.215 3.758 20 5 EHBDLO CO[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[C@@H]1C ZINC000809984859 1135908537 /nfs/dbraw/zinc/90/85/37/1135908537.db2.gz AYXNAZUUHMNPBW-ZANVPECISA-N 1 2 333.215 3.758 20 5 EHBDLO O=C(Nc1cscc1Cl)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001133067690 1136153151 /nfs/dbraw/zinc/15/31/51/1136153151.db2.gz QHEBONPNBONUPZ-UHFFFAOYSA-N 1 2 348.771 3.748 20 5 EHBDLO Cn1ncc2c1CC(C)(C)C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000854059057 1136584246 /nfs/dbraw/zinc/58/42/46/1136584246.db2.gz ZATUMMAPKXLXSN-UHFFFAOYSA-N 1 2 348.834 3.566 20 5 EHBDLO Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000854059057 1136584248 /nfs/dbraw/zinc/58/42/48/1136584248.db2.gz ZATUMMAPKXLXSN-UHFFFAOYSA-N 1 2 348.834 3.566 20 5 EHBDLO Cn1ncc2c1CC(C)(C)C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000854058897 1136584322 /nfs/dbraw/zinc/58/43/22/1136584322.db2.gz VYQXVHAZPWWGPT-UHFFFAOYSA-N 1 2 348.834 3.566 20 5 EHBDLO Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000854058897 1136584323 /nfs/dbraw/zinc/58/43/23/1136584323.db2.gz VYQXVHAZPWWGPT-UHFFFAOYSA-N 1 2 348.834 3.566 20 5 EHBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000817293106 1136792062 /nfs/dbraw/zinc/79/20/62/1136792062.db2.gz YIKCBSWZBACGQN-GFCCVEGCSA-N 1 2 345.226 3.781 20 5 EHBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC000817293106 1136792064 /nfs/dbraw/zinc/79/20/64/1136792064.db2.gz YIKCBSWZBACGQN-GFCCVEGCSA-N 1 2 345.226 3.781 20 5 EHBDLO CO[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@H]1C ZINC000824820524 1137153926 /nfs/dbraw/zinc/15/39/26/1137153926.db2.gz HFEYCSANVGHDSD-NOZJJQNGSA-N 1 2 333.215 3.758 20 5 EHBDLO CO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@H]1C ZINC000824820524 1137153928 /nfs/dbraw/zinc/15/39/28/1137153928.db2.gz HFEYCSANVGHDSD-NOZJJQNGSA-N 1 2 333.215 3.758 20 5 EHBDLO C[C@@H]([NH2+]Cc1ccc(OCC2CC2)nc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872031035 1137566318 /nfs/dbraw/zinc/56/63/18/1137566318.db2.gz LKMLLUQMLDQPOF-GFCCVEGCSA-N 1 2 345.374 3.769 20 5 EHBDLO CCn1ccnc1[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872075958 1137569971 /nfs/dbraw/zinc/56/99/71/1137569971.db2.gz HAMPQELZVHZLHX-RYUDHWBXSA-N 1 2 334.445 3.945 20 5 EHBDLO C[C@H]([NH2+][C@@H](CCO)c1ccccc1F)c1c(F)cccc1[N+](=O)[O-] ZINC000872080782 1137570376 /nfs/dbraw/zinc/57/03/76/1137570376.db2.gz BUEZRCUWYAUWIY-NHYWBVRUSA-N 1 2 336.338 3.647 20 5 EHBDLO CC1(C)C[C@@H]([N@H+](Cc2ccccc2)Cc2cccnc2[N+](=O)[O-])CO1 ZINC000886273553 1138063323 /nfs/dbraw/zinc/06/33/23/1138063323.db2.gz BSDMTKAGIOWVMB-QGZVFWFLSA-N 1 2 341.411 3.560 20 5 EHBDLO CC1(C)C[C@@H]([N@@H+](Cc2ccccc2)Cc2cccnc2[N+](=O)[O-])CO1 ZINC000886273553 1138063325 /nfs/dbraw/zinc/06/33/25/1138063325.db2.gz BSDMTKAGIOWVMB-QGZVFWFLSA-N 1 2 341.411 3.560 20 5 EHBDLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000130080047 1138434588 /nfs/dbraw/zinc/43/45/88/1138434588.db2.gz TTYLBNDYZYQPJC-UHFFFAOYSA-N 1 2 341.411 3.672 20 5 EHBDLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000130080047 1138434589 /nfs/dbraw/zinc/43/45/89/1138434589.db2.gz TTYLBNDYZYQPJC-UHFFFAOYSA-N 1 2 341.411 3.672 20 5 EHBDLO O=[N+]([O-])c1cc(Cl)cnc1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000153597730 1139143764 /nfs/dbraw/zinc/14/37/64/1139143764.db2.gz AAMIMRFIDGIMPS-UHFFFAOYSA-N 1 2 347.806 3.641 20 5 EHBDLO Cc1c([C@@H](C)[NH2+][C@@H](CO)c2c(F)cccc2F)cccc1[N+](=O)[O-] ZINC000271550161 1141394336 /nfs/dbraw/zinc/39/43/36/1141394336.db2.gz ZUVBJQJLWMZJHL-ABAIWWIYSA-N 1 2 336.338 3.566 20 5 EHBDLO CCS[C@H](C)c1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000273861962 1141435373 /nfs/dbraw/zinc/43/53/73/1141435373.db2.gz GZHGZOCZKXJWGX-SNVBAGLBSA-N 1 2 345.384 3.645 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1c(F)cccc1OC ZINC000430202218 1014883094 /nfs/dbraw/zinc/88/30/94/1014883094.db2.gz LWGCHAOJQKHECU-NSHDSACASA-N 1 2 334.347 3.602 20 5 EHBDLO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000449362665 1032498453 /nfs/dbraw/zinc/49/84/53/1032498453.db2.gz LPMGJTLEQBOFRO-AXFHLTTASA-N 1 2 332.322 3.852 20 5 EHBDLO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000449362665 1032498456 /nfs/dbraw/zinc/49/84/56/1032498456.db2.gz LPMGJTLEQBOFRO-AXFHLTTASA-N 1 2 332.322 3.852 20 5 EHBDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000366389345 1020657458 /nfs/dbraw/zinc/65/74/58/1020657458.db2.gz PJXQTFWDILMIGF-HNNXBMFYSA-N 1 2 334.807 3.627 20 5 EHBDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000366389345 1020657464 /nfs/dbraw/zinc/65/74/64/1020657464.db2.gz PJXQTFWDILMIGF-HNNXBMFYSA-N 1 2 334.807 3.627 20 5 EHBDLO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(F)cc1F ZINC000051120983 1021177973 /nfs/dbraw/zinc/17/79/73/1021177973.db2.gz IIIDHIRLPVVMOL-VIFPVBQESA-N 1 2 332.310 3.600 20 5 EHBDLO C[N@H+](Cc1ccccc1N1CCCC1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000051120070 1021185872 /nfs/dbraw/zinc/18/58/72/1021185872.db2.gz KCHZZZSIXYSMNO-UHFFFAOYSA-N 1 2 343.402 3.966 20 5 EHBDLO C[N@@H+](Cc1ccccc1N1CCCC1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000051120070 1021185877 /nfs/dbraw/zinc/18/58/77/1021185877.db2.gz KCHZZZSIXYSMNO-UHFFFAOYSA-N 1 2 343.402 3.966 20 5 EHBDLO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000518991400 1021759561 /nfs/dbraw/zinc/75/95/61/1021759561.db2.gz JGCQMTMRXJTXEI-BFUOFWGJSA-N 1 2 342.395 3.892 20 5 EHBDLO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000518991400 1021759574 /nfs/dbraw/zinc/75/95/74/1021759574.db2.gz JGCQMTMRXJTXEI-BFUOFWGJSA-N 1 2 342.395 3.892 20 5 EHBDLO C[C@@H]([NH2+]Cc1csc(N(C)C2CC2)n1)c1cccc([N+](=O)[O-])c1 ZINC000341591526 1022444621 /nfs/dbraw/zinc/44/46/21/1022444621.db2.gz WJIVPGBVYXVWLW-LLVKDONJSA-N 1 2 332.429 3.501 20 5 EHBDLO Cc1cccc2ncc(C[N@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)n21 ZINC000507168624 1023171974 /nfs/dbraw/zinc/17/19/74/1023171974.db2.gz RHSQOWQGOVOLKW-UHFFFAOYSA-N 1 2 336.395 3.716 20 5 EHBDLO Cc1cccc2ncc(C[N@@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)n21 ZINC000507168624 1023171976 /nfs/dbraw/zinc/17/19/76/1023171976.db2.gz RHSQOWQGOVOLKW-UHFFFAOYSA-N 1 2 336.395 3.716 20 5 EHBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH+]3CC(CC(F)F)C3)cs2)c1 ZINC000425363445 1024860456 /nfs/dbraw/zinc/86/04/56/1024860456.db2.gz BQTLPMDYUNVMCV-UHFFFAOYSA-N 1 2 339.367 3.805 20 5 EHBDLO C[N@H+](CCOc1cccc(Cl)c1)Cc1csc([N+](=O)[O-])c1 ZINC000515781652 1025593867 /nfs/dbraw/zinc/59/38/67/1025593867.db2.gz NMBGIKQCDOPXIZ-UHFFFAOYSA-N 1 2 326.805 3.821 20 5 EHBDLO C[N@@H+](CCOc1cccc(Cl)c1)Cc1csc([N+](=O)[O-])c1 ZINC000515781652 1025593883 /nfs/dbraw/zinc/59/38/83/1025593883.db2.gz NMBGIKQCDOPXIZ-UHFFFAOYSA-N 1 2 326.805 3.821 20 5 EHBDLO C[C@H](c1ccco1)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000444663745 1028134686 /nfs/dbraw/zinc/13/46/86/1028134686.db2.gz PDFNVWBFXAJWON-LLVKDONJSA-N 1 2 326.356 3.790 20 5 EHBDLO C[C@H](c1ccco1)[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000444663745 1028134688 /nfs/dbraw/zinc/13/46/88/1028134688.db2.gz PDFNVWBFXAJWON-LLVKDONJSA-N 1 2 326.356 3.790 20 5 EHBDLO Cc1ccc(-n2cc[nH+]c2)c(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000583530670 1030051394 /nfs/dbraw/zinc/05/13/94/1030051394.db2.gz MMAYIWHBSAQEJE-UHFFFAOYSA-N 1 2 347.334 3.806 20 5 EHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000536204856 1031563430 /nfs/dbraw/zinc/56/34/30/1031563430.db2.gz RZIUYOVNMRIZKG-UHFFFAOYSA-N 1 2 331.416 3.520 20 5 EHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000536204856 1031563445 /nfs/dbraw/zinc/56/34/45/1031563445.db2.gz RZIUYOVNMRIZKG-UHFFFAOYSA-N 1 2 331.416 3.520 20 5 EHBDLO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1COc2cc(F)cc(F)c21 ZINC000594502332 1033405091 /nfs/dbraw/zinc/40/50/91/1033405091.db2.gz YNKDUBYPJAMXDM-ZIAGYGMSSA-N 1 2 332.306 3.584 20 5 EHBDLO Cc1nc(N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000589101872 1036236553 /nfs/dbraw/zinc/23/65/53/1036236553.db2.gz OTZDBNADDMLJEP-HDJSIYSDSA-N 1 2 327.388 3.528 20 5 EHBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](Cc2cccs2)C2CC2)c1 ZINC000589495058 1036437487 /nfs/dbraw/zinc/43/74/87/1036437487.db2.gz PSFBZOWYCACHPT-UHFFFAOYSA-N 1 2 346.408 3.608 20 5 EHBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](Cc2cccs2)C2CC2)c1 ZINC000589495058 1036437495 /nfs/dbraw/zinc/43/74/95/1036437495.db2.gz PSFBZOWYCACHPT-UHFFFAOYSA-N 1 2 346.408 3.608 20 5 EHBDLO COc1cc(NCCCCNc2cccc[nH+]2)c([N+](=O)[O-])cc1C ZINC000590575492 1036955633 /nfs/dbraw/zinc/95/56/33/1036955633.db2.gz HYOLPJYHKDIABV-UHFFFAOYSA-N 1 2 330.388 3.611 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000555685475 1041010071 /nfs/dbraw/zinc/01/00/71/1041010071.db2.gz CSGISAQXKAAVBT-INIZCTEOSA-N 1 2 348.786 3.607 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000555685475 1041010103 /nfs/dbraw/zinc/01/01/03/1041010103.db2.gz CSGISAQXKAAVBT-INIZCTEOSA-N 1 2 348.786 3.607 20 5 EHBDLO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H](CO)c1c(F)cccc1F)CCC2 ZINC000278877604 1042809424 /nfs/dbraw/zinc/80/94/24/1042809424.db2.gz XMRMGWIFYRBOLW-SJORKVTESA-N 1 2 348.349 3.574 20 5 EHBDLO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2nnc3n2CCCCC3)cc1[N+](=O)[O-] ZINC000326815550 1128450610 /nfs/dbraw/zinc/45/06/10/1128450610.db2.gz WLAHNLCSRQYTOM-KGLIPLIRSA-N 1 2 343.431 3.633 20 5 EHBDLO CN(C)c1cc(CSc2nc3ccc([N+](=O)[O-])cc3s2)cc[nH+]1 ZINC000762468371 1121313512 /nfs/dbraw/zinc/31/35/12/1121313512.db2.gz IUUZRZWQSWFVLF-UHFFFAOYSA-N 1 2 346.437 3.958 20 5 EHBDLO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000556271032 1122908831 /nfs/dbraw/zinc/90/88/31/1122908831.db2.gz WKAFZWKVJQCKDE-ZMZPIMSZSA-N 1 2 348.349 3.697 20 5 EHBDLO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000556271032 1122908833 /nfs/dbraw/zinc/90/88/33/1122908833.db2.gz WKAFZWKVJQCKDE-ZMZPIMSZSA-N 1 2 348.349 3.697 20 5 EHBDLO Cn1c2ccccc2nc1C[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255460742 1129113042 /nfs/dbraw/zinc/11/30/42/1129113042.db2.gz ZOPXKWIPWQJTHK-CLFYSBASSA-N 1 2 336.395 3.627 20 5 EHBDLO Cn1c2ccccc2nc1C[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255460742 1129113045 /nfs/dbraw/zinc/11/30/45/1129113045.db2.gz ZOPXKWIPWQJTHK-CLFYSBASSA-N 1 2 336.395 3.627 20 5 EHBDLO CC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1c(C)noc1C ZINC000182422058 1125277536 /nfs/dbraw/zinc/27/75/36/1125277536.db2.gz MLKMXVKSQPRDRG-GFCCVEGCSA-N 1 2 330.344 3.582 20 5 EHBDLO C[C@H](c1ccncc1)[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000091987766 1129529388 /nfs/dbraw/zinc/52/93/88/1129529388.db2.gz AIIIXDPHSOMSLE-CYBMUJFWSA-N 1 2 338.367 3.838 20 5 EHBDLO C[C@H](c1ccncc1)[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000091987766 1129529391 /nfs/dbraw/zinc/52/93/91/1129529391.db2.gz AIIIXDPHSOMSLE-CYBMUJFWSA-N 1 2 338.367 3.838 20 5 EHBDLO C[NH+](C)[C@@H](CNc1sccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000302047923 1129765123 /nfs/dbraw/zinc/76/51/23/1129765123.db2.gz YXOGPJDHHDBFGD-LBPRGKRZSA-N 1 2 327.356 3.649 20 5 EHBDLO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2cc([N+](=O)[O-])ccc2OC)o1 ZINC000131141402 1129770695 /nfs/dbraw/zinc/77/06/95/1129770695.db2.gz LHCHBVNNJMFUBD-INIZCTEOSA-N 1 2 346.383 3.680 20 5 EHBDLO COCc1ccc([C@@H]2CCC[N@H+]2Cc2cc([N+](=O)[O-])ccc2OC)o1 ZINC000131141402 1129770700 /nfs/dbraw/zinc/77/07/00/1129770700.db2.gz LHCHBVNNJMFUBD-INIZCTEOSA-N 1 2 346.383 3.680 20 5 EHBDLO COc1cc(C[N@@H+]2C[C@H](C)[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000245738208 1130314868 /nfs/dbraw/zinc/31/48/68/1130314868.db2.gz LETJSUZTAXLHLD-ORAYPTAESA-N 1 2 342.395 3.805 20 5 EHBDLO COc1cc(C[N@H+]2C[C@H](C)[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000245738208 1130314875 /nfs/dbraw/zinc/31/48/75/1130314875.db2.gz LETJSUZTAXLHLD-ORAYPTAESA-N 1 2 342.395 3.805 20 5 EHBDLO NC(Cc1ccc(Cl)cc1)=[NH+]OCc1c(F)cccc1[N+](=O)[O-] ZINC000729986809 1130662547 /nfs/dbraw/zinc/66/25/47/1130662547.db2.gz AXWFLGDRKUNZQU-UHFFFAOYSA-N 1 2 337.738 3.628 20 5 EHBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC001173230779 1132009342 /nfs/dbraw/zinc/00/93/42/1132009342.db2.gz FWQCXBRNABHRNH-OAHLLOKOSA-N 1 2 348.406 3.727 20 5 EHBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC001173230779 1132009350 /nfs/dbraw/zinc/00/93/50/1132009350.db2.gz FWQCXBRNABHRNH-OAHLLOKOSA-N 1 2 348.406 3.727 20 5 EHBDLO CCC[N@@H+](Cc1ccccc1F)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000746037735 1132350564 /nfs/dbraw/zinc/35/05/64/1132350564.db2.gz KUCYBEWDIDUNFH-UHFFFAOYSA-N 1 2 342.374 3.953 20 5 EHBDLO CCC[N@H+](Cc1ccccc1F)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000746037735 1132350572 /nfs/dbraw/zinc/35/05/72/1132350572.db2.gz KUCYBEWDIDUNFH-UHFFFAOYSA-N 1 2 342.374 3.953 20 5 EHBDLO CC(C)[N@@H+](Cc1cccc(C(F)(F)F)c1)Cn1cc([N+](=O)[O-])cn1 ZINC000746045143 1132354014 /nfs/dbraw/zinc/35/40/14/1132354014.db2.gz SYAZAVNYOOKHCK-UHFFFAOYSA-N 1 2 342.321 3.678 20 5 EHBDLO CC(C)[N@H+](Cc1cccc(C(F)(F)F)c1)Cn1cc([N+](=O)[O-])cn1 ZINC000746045143 1132354021 /nfs/dbraw/zinc/35/40/21/1132354021.db2.gz SYAZAVNYOOKHCK-UHFFFAOYSA-N 1 2 342.321 3.678 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCOc2cc(F)ccc2C1 ZINC001175045722 1132548979 /nfs/dbraw/zinc/54/89/79/1132548979.db2.gz VJIFLEXFHQGNOT-CYBMUJFWSA-N 1 2 330.359 3.998 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCOc2cc(F)ccc2C1 ZINC001175045722 1132548985 /nfs/dbraw/zinc/54/89/85/1132548985.db2.gz VJIFLEXFHQGNOT-CYBMUJFWSA-N 1 2 330.359 3.998 20 5 EHBDLO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccn(-c2ccccc2)n1 ZINC000768919033 1133202656 /nfs/dbraw/zinc/20/26/56/1133202656.db2.gz OUUULOJJJQBTJI-CLFYSBASSA-N 1 2 348.406 3.926 20 5 EHBDLO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccn(-c2ccccc2)n1 ZINC000768919033 1133202662 /nfs/dbraw/zinc/20/26/62/1133202662.db2.gz OUUULOJJJQBTJI-CLFYSBASSA-N 1 2 348.406 3.926 20 5 EHBDLO CCOc1cc(Nc2ccc(N(CC)CC)[nH+]c2)ccc1[N+](=O)[O-] ZINC001184864178 1133999227 /nfs/dbraw/zinc/99/92/27/1133999227.db2.gz GKHNSEZPCWZOFM-UHFFFAOYSA-N 1 2 330.388 3.978 20 5 EHBDLO CCC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](CC)C(=O)OCC ZINC001193363187 1135131154 /nfs/dbraw/zinc/13/11/54/1135131154.db2.gz AUBRNRZJGLPGNP-CQSZACIVSA-N 1 2 342.823 3.802 20 5 EHBDLO CCC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](CC)C(=O)OCC ZINC001193363187 1135131157 /nfs/dbraw/zinc/13/11/57/1135131157.db2.gz AUBRNRZJGLPGNP-CQSZACIVSA-N 1 2 342.823 3.802 20 5 EHBDLO CCc1ccc2c(c1)CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)C2 ZINC001198821839 1135860096 /nfs/dbraw/zinc/86/00/96/1135860096.db2.gz XTXFEYIJRWUWLB-UHFFFAOYSA-N 1 2 326.396 3.724 20 5 EHBDLO CCc1ccc2c(c1)CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)C2 ZINC001198821839 1135860100 /nfs/dbraw/zinc/86/01/00/1135860100.db2.gz XTXFEYIJRWUWLB-UHFFFAOYSA-N 1 2 326.396 3.724 20 5 EHBDLO O=C(Oc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(-n2cc[nH+]c2)cc1 ZINC000776084261 1135951703 /nfs/dbraw/zinc/95/17/03/1135951703.db2.gz KQGFSAHMRWNPFJ-UHFFFAOYSA-N 1 2 343.726 3.653 20 5 EHBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccnc(Cl)c1Cl ZINC000811478134 1136096871 /nfs/dbraw/zinc/09/68/71/1136096871.db2.gz CATMRZIKXIAZAX-UHFFFAOYSA-N 1 2 342.182 3.595 20 5 EHBDLO C[C@H]1C[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])CCC1(F)F ZINC000811511993 1136103396 /nfs/dbraw/zinc/10/33/96/1136103396.db2.gz ADWOJSFSSRYIGE-VIFPVBQESA-N 1 2 349.175 3.834 20 5 EHBDLO C[C@H]1C[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])CCC1(F)F ZINC000811511993 1136103398 /nfs/dbraw/zinc/10/33/98/1136103398.db2.gz ADWOJSFSSRYIGE-VIFPVBQESA-N 1 2 349.175 3.834 20 5 EHBDLO CCc1ncc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])o1 ZINC000825079000 1137164663 /nfs/dbraw/zinc/16/46/63/1137164663.db2.gz JHGAHOPBQPORTL-UHFFFAOYSA-N 1 2 330.171 3.742 20 5 EHBDLO COc1nc(C)cc(C)c1C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872030969 1137566265 /nfs/dbraw/zinc/56/62/65/1137566265.db2.gz FHYPOSNVBWUHDS-GFCCVEGCSA-N 1 2 333.363 3.605 20 5 EHBDLO COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872038860 1137566915 /nfs/dbraw/zinc/56/69/15/1137566915.db2.gz PJWJRNWAHQQGKH-NHYWBVRUSA-N 1 2 346.358 3.917 20 5 EHBDLO Cc1c(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000872065552 1137569124 /nfs/dbraw/zinc/56/91/24/1137569124.db2.gz DKCKMBJMAYLMHG-LLVKDONJSA-N 1 2 333.319 3.801 20 5 EHBDLO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000872075471 1137569886 /nfs/dbraw/zinc/56/98/86/1137569886.db2.gz CTZJCPJXJDBJIT-SUNKGSAMSA-N 1 2 332.429 3.870 20 5 EHBDLO CCC1(CC)CCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000874629390 1137619598 /nfs/dbraw/zinc/61/95/98/1137619598.db2.gz CVWGPPCFOUMBLI-UHFFFAOYSA-N 1 2 342.399 3.575 20 5 EHBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCc1ccn2cc[nH+]c2c1 ZINC000338275012 1138812302 /nfs/dbraw/zinc/81/23/02/1138812302.db2.gz LGHYGHUVYKXERH-UHFFFAOYSA-N 1 2 336.273 3.873 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000182763256 1139991214 /nfs/dbraw/zinc/99/12/14/1139991214.db2.gz LXJYYRWZJVHAHJ-AWEZNQCLSA-N 1 2 342.443 3.879 20 5 EHBDLO C[C@H](Nc1cc(N2CCCCC2)nc[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000271692095 1141419900 /nfs/dbraw/zinc/41/99/00/1141419900.db2.gz LWPKLAIVZIIEFM-ZDUSSCGKSA-N 1 2 327.388 3.548 20 5 EHBDLO C[C@H](Nc1cc(N2CCCCC2)[nH+]cn1)c1ccccc1[N+](=O)[O-] ZINC000271692095 1141419905 /nfs/dbraw/zinc/41/99/05/1141419905.db2.gz LWPKLAIVZIIEFM-ZDUSSCGKSA-N 1 2 327.388 3.548 20 5 EHBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H]1c1nc(C)no1 ZINC000348813441 1141585245 /nfs/dbraw/zinc/58/52/45/1141585245.db2.gz HABVJWBWWFGDPD-HMWXGYMHSA-N 1 2 328.372 3.527 20 5 EHBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H]1c1nc(C)no1 ZINC000348813441 1141585247 /nfs/dbraw/zinc/58/52/47/1141585247.db2.gz HABVJWBWWFGDPD-HMWXGYMHSA-N 1 2 328.372 3.527 20 5 EHBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H]1c1nc(C)no1 ZINC000348813439 1141585401 /nfs/dbraw/zinc/58/54/01/1141585401.db2.gz HABVJWBWWFGDPD-CKDIWJPDSA-N 1 2 328.372 3.527 20 5 EHBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H]1c1nc(C)no1 ZINC000348813439 1141585405 /nfs/dbraw/zinc/58/54/05/1141585405.db2.gz HABVJWBWWFGDPD-CKDIWJPDSA-N 1 2 328.372 3.527 20 5 EHBDLO CCC[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@@H]1CCCCO1 ZINC000509341370 1015235593 /nfs/dbraw/zinc/23/55/93/1015235593.db2.gz FMZHXPUYAMQNEX-ZDUSSCGKSA-N 1 2 328.359 3.654 20 5 EHBDLO CCC[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@@H]1CCCCO1 ZINC000509341370 1015235608 /nfs/dbraw/zinc/23/56/08/1015235608.db2.gz FMZHXPUYAMQNEX-ZDUSSCGKSA-N 1 2 328.359 3.654 20 5 EHBDLO CC[C@@H]([NH2+]Cc1csc([C@H](C)OC)n1)c1cccc([N+](=O)[O-])c1 ZINC000165259879 1015819124 /nfs/dbraw/zinc/81/91/24/1015819124.db2.gz AWNJHYNISQSHGI-XHDPSFHLSA-N 1 2 335.429 4.000 20 5 EHBDLO O=C(CC[N@@H+]1Cc2cccc(Cl)c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000376556399 1016425997 /nfs/dbraw/zinc/42/59/97/1016425997.db2.gz ZCYAVMNDVQDPPU-UHFFFAOYSA-N 1 2 345.786 3.593 20 5 EHBDLO O=C(CC[N@H+]1Cc2cccc(Cl)c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000376556399 1016426005 /nfs/dbraw/zinc/42/60/05/1016426005.db2.gz ZCYAVMNDVQDPPU-UHFFFAOYSA-N 1 2 345.786 3.593 20 5 EHBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(Br)o2)c(Cl)c1 ZINC000189500916 1016523559 /nfs/dbraw/zinc/52/35/59/1016523559.db2.gz HZYVINRRNOEDQC-UHFFFAOYSA-N 1 2 345.580 3.894 20 5 EHBDLO CC(C)c1ccc(C[NH2+]Cc2nnc(C3CC3)s2)cc1[N+](=O)[O-] ZINC000414549712 1016971299 /nfs/dbraw/zinc/97/12/99/1016971299.db2.gz BTIDFGMKJHMMQH-UHFFFAOYSA-N 1 2 332.429 3.737 20 5 EHBDLO Cn1ccnc1[C@H]([NH2+]CC1=CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000449375294 1032490214 /nfs/dbraw/zinc/49/02/14/1032490214.db2.gz GDKICQVTZPVULH-QGZVFWFLSA-N 1 2 326.400 3.508 20 5 EHBDLO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cc(F)c(Cl)cc1Cl ZINC000341020909 1017780360 /nfs/dbraw/zinc/78/03/60/1017780360.db2.gz VJLIHWSZLJERSV-ZETCQYMHSA-N 1 2 347.177 3.625 20 5 EHBDLO O=[N+]([O-])c1cc(F)ccc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000068836699 1019919239 /nfs/dbraw/zinc/91/92/39/1019919239.db2.gz JPAQYHBCGHOFPX-UHFFFAOYSA-N 1 2 349.793 3.710 20 5 EHBDLO Cn1ccnc1[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000580844568 1020135507 /nfs/dbraw/zinc/13/55/07/1020135507.db2.gz QNPJRONRJCKDQF-PKOBYXMFSA-N 1 2 348.406 3.695 20 5 EHBDLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134575416 1021306985 /nfs/dbraw/zinc/30/69/85/1021306985.db2.gz AGIXDANHYZTWOC-UHFFFAOYSA-N 1 2 342.742 3.686 20 5 EHBDLO Cc1nc(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])sc1C ZINC000602557944 1032973963 /nfs/dbraw/zinc/97/39/63/1032973963.db2.gz MQBIIVQOOZGOAX-UHFFFAOYSA-N 1 2 345.346 3.977 20 5 EHBDLO CCO[C@@H]1C[C@@H]1[NH2+][C@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000517675275 1022538556 /nfs/dbraw/zinc/53/85/56/1022538556.db2.gz KJFFZTVCTFFGLT-JQHSSLGASA-N 1 2 330.384 3.607 20 5 EHBDLO Cc1ccc(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)o1 ZINC000602742237 1033107764 /nfs/dbraw/zinc/10/77/64/1033107764.db2.gz PWGWVJZKGBVVOS-UHFFFAOYSA-N 1 2 331.191 3.610 20 5 EHBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000610847505 1023788373 /nfs/dbraw/zinc/78/83/73/1023788373.db2.gz YHWOXVIHASZCGW-UHFFFAOYSA-N 1 2 342.786 3.724 20 5 EHBDLO Cc1ccc(C[N@@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])o1 ZINC000425379070 1024933586 /nfs/dbraw/zinc/93/35/86/1024933586.db2.gz AOGOGGLPLSWRFB-UHFFFAOYSA-N 1 2 339.189 3.891 20 5 EHBDLO Cc1ccc(C[N@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])o1 ZINC000425379070 1024933595 /nfs/dbraw/zinc/93/35/95/1024933595.db2.gz AOGOGGLPLSWRFB-UHFFFAOYSA-N 1 2 339.189 3.891 20 5 EHBDLO Cc1cc(C)c(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000455521255 1028327075 /nfs/dbraw/zinc/32/70/75/1028327075.db2.gz NDCRPLAJAKKFSA-UHFFFAOYSA-N 1 2 342.399 3.621 20 5 EHBDLO CC[C@H](NC(=O)NCc1c[nH+]c(C)cc1C)c1cccc([N+](=O)[O-])c1 ZINC000455558653 1028453595 /nfs/dbraw/zinc/45/35/95/1028453595.db2.gz MUWWCVOHQHVHDY-KRWDZBQOSA-N 1 2 342.399 3.557 20 5 EHBDLO C[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1Br ZINC000248028243 1029051270 /nfs/dbraw/zinc/05/12/70/1029051270.db2.gz HKFPGEWDROUIGD-UHFFFAOYSA-N 1 2 335.201 3.989 20 5 EHBDLO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1Br ZINC000248028243 1029051279 /nfs/dbraw/zinc/05/12/79/1029051279.db2.gz HKFPGEWDROUIGD-UHFFFAOYSA-N 1 2 335.201 3.989 20 5 EHBDLO CCCCCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)C ZINC000448761560 1031612369 /nfs/dbraw/zinc/61/23/69/1031612369.db2.gz VCFWBBHZVAFCHM-UHFFFAOYSA-N 1 2 344.415 3.821 20 5 EHBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cnc2ccccc2n1)C1CC1 ZINC000595386444 1033783786 /nfs/dbraw/zinc/78/37/86/1033783786.db2.gz GYJQEXTULLLBFQ-UHFFFAOYSA-N 1 2 334.379 3.703 20 5 EHBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cnc2ccccc2n1)C1CC1 ZINC000595386444 1033783807 /nfs/dbraw/zinc/78/38/07/1033783807.db2.gz GYJQEXTULLLBFQ-UHFFFAOYSA-N 1 2 334.379 3.703 20 5 EHBDLO COc1cc([C@@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])ccc1OC(C)C ZINC000595414544 1033789792 /nfs/dbraw/zinc/78/97/92/1033789792.db2.gz DWSGUKSDKRWVFJ-LLVKDONJSA-N 1 2 349.387 3.538 20 5 EHBDLO CCN(CC)c1ncc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000179314824 1034108491 /nfs/dbraw/zinc/10/84/91/1034108491.db2.gz PDWCVZVPAGUXLY-UHFFFAOYSA-N 1 2 334.445 3.530 20 5 EHBDLO CCN(CC)c1ncc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000179314824 1034108499 /nfs/dbraw/zinc/10/84/99/1034108499.db2.gz PDWCVZVPAGUXLY-UHFFFAOYSA-N 1 2 334.445 3.530 20 5 EHBDLO Cn1ncc(C2CCC2)c1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000596979948 1034478908 /nfs/dbraw/zinc/47/89/08/1034478908.db2.gz QHCHXZUBJKSUGL-UHFFFAOYSA-N 1 2 340.427 3.760 20 5 EHBDLO Cn1ncc(C2CCC2)c1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000596979948 1034478924 /nfs/dbraw/zinc/47/89/24/1034478924.db2.gz QHCHXZUBJKSUGL-UHFFFAOYSA-N 1 2 340.427 3.760 20 5 EHBDLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000414081565 1035459915 /nfs/dbraw/zinc/45/99/15/1035459915.db2.gz BMCYPTSHMOMKLG-QWRGUYRKSA-N 1 2 349.412 3.558 20 5 EHBDLO CC(C)([NH2+]Cc1nccn1-c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000492466017 1035827540 /nfs/dbraw/zinc/82/75/40/1035827540.db2.gz XYNITPLYNKZRRP-UHFFFAOYSA-N 1 2 336.395 3.805 20 5 EHBDLO COc1cc(NCc2ccccc2-n2cc[nH+]c2)c([N+](=O)[O-])cc1C ZINC000590581382 1036957235 /nfs/dbraw/zinc/95/72/35/1036957235.db2.gz MXIZLXBURUFQMS-UHFFFAOYSA-N 1 2 338.367 3.710 20 5 EHBDLO COc1ccc([C@@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C(C)C)cc1 ZINC000549927879 1037642559 /nfs/dbraw/zinc/64/25/59/1037642559.db2.gz HPAZZDGTMCUDGJ-SFHVURJKSA-N 1 2 330.384 3.796 20 5 EHBDLO Cc1c(-c2noc([C@@H](CC(C)C)n3cc[nH+]c3)n2)cccc1[N+](=O)[O-] ZINC000924092609 1037643469 /nfs/dbraw/zinc/64/34/69/1037643469.db2.gz GNRAESPCBSHGEA-OAHLLOKOSA-N 1 2 341.371 3.785 20 5 EHBDLO CCOc1cc(C[N@@H+]2CCc3c(cccc3OC)C2)ccc1[N+](=O)[O-] ZINC000491830098 1037698063 /nfs/dbraw/zinc/69/80/63/1037698063.db2.gz BXYCIKBKEGCWKG-UHFFFAOYSA-N 1 2 342.395 3.560 20 5 EHBDLO CCOc1cc(C[N@H+]2CCc3c(cccc3OC)C2)ccc1[N+](=O)[O-] ZINC000491830098 1037698073 /nfs/dbraw/zinc/69/80/73/1037698073.db2.gz BXYCIKBKEGCWKG-UHFFFAOYSA-N 1 2 342.395 3.560 20 5 EHBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3(c4ccccc4F)CCC3)nc2c1 ZINC000592144964 1037865956 /nfs/dbraw/zinc/86/59/56/1037865956.db2.gz RGKLUNRWUVNJNN-UHFFFAOYSA-N 1 2 340.358 3.779 20 5 EHBDLO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000461361997 1038366161 /nfs/dbraw/zinc/36/61/61/1038366161.db2.gz KFJGLHBEYVJTHR-HNNXBMFYSA-N 1 2 331.441 3.757 20 5 EHBDLO CC[C@H]1CN(c2ccccc2)CC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000461361997 1038366176 /nfs/dbraw/zinc/36/61/76/1038366176.db2.gz KFJGLHBEYVJTHR-HNNXBMFYSA-N 1 2 331.441 3.757 20 5 EHBDLO CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](C)Cc1ccc(OC)cc1 ZINC000549824681 1039974957 /nfs/dbraw/zinc/97/49/57/1039974957.db2.gz OZDINVPXQYBBKW-AWEZNQCLSA-N 1 2 344.411 3.762 20 5 EHBDLO CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](C)Cc1ccc(OC)cc1 ZINC000549824681 1039974985 /nfs/dbraw/zinc/97/49/85/1039974985.db2.gz OZDINVPXQYBBKW-AWEZNQCLSA-N 1 2 344.411 3.762 20 5 EHBDLO Cc1ccc(OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1C ZINC000912712805 1040140708 /nfs/dbraw/zinc/14/07/08/1040140708.db2.gz AJGVAMNRQSFYTJ-UHFFFAOYSA-N 1 2 337.335 3.617 20 5 EHBDLO O=C(c1ccccc1)C1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000051379432 1042342937 /nfs/dbraw/zinc/34/29/37/1042342937.db2.gz DTVNJBGWHBJBCB-UHFFFAOYSA-N 1 2 342.370 3.829 20 5 EHBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2ccc(Br)cc2F)cs1 ZINC000732231011 1130903147 /nfs/dbraw/zinc/90/31/47/1130903147.db2.gz DVTXEQYZGSNYJE-UHFFFAOYSA-N 1 2 345.193 3.848 20 5 EHBDLO CCOc1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1F ZINC000494929115 1120908080 /nfs/dbraw/zinc/90/80/80/1120908080.db2.gz IYWWXQQMXILZCQ-UHFFFAOYSA-N 1 2 330.359 3.691 20 5 EHBDLO CCOc1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1F ZINC000494929115 1120908085 /nfs/dbraw/zinc/90/80/85/1120908085.db2.gz IYWWXQQMXILZCQ-UHFFFAOYSA-N 1 2 330.359 3.691 20 5 EHBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(C)cc(Cl)n1 ZINC000282112108 1121516794 /nfs/dbraw/zinc/51/67/94/1121516794.db2.gz UCVZWYGWPLROJE-UHFFFAOYSA-N 1 2 335.791 3.640 20 5 EHBDLO Cc1cccc([N+](=O)[O-])c1NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000301176515 1122244669 /nfs/dbraw/zinc/24/46/69/1122244669.db2.gz LNRBLNVLOVBMOO-UHFFFAOYSA-N 1 2 326.331 3.840 20 5 EHBDLO COCc1cc([N+](=O)[O-])ccc1NCc1cccc(-n2cc[nH+]c2)c1 ZINC000080641295 1124881585 /nfs/dbraw/zinc/88/15/85/1124881585.db2.gz URTAGPYPHAJTKB-UHFFFAOYSA-N 1 2 338.367 3.539 20 5 EHBDLO C[C@@H]1SCC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)[C@H]1C ZINC000735668832 1131371766 /nfs/dbraw/zinc/37/17/66/1131371766.db2.gz ZPQCXPHJLVZDKB-UWVGGRQHSA-N 1 2 339.442 3.655 20 5 EHBDLO C[C@@H]1SCC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)[C@H]1C ZINC000735668832 1131371771 /nfs/dbraw/zinc/37/17/71/1131371771.db2.gz ZPQCXPHJLVZDKB-UWVGGRQHSA-N 1 2 339.442 3.655 20 5 EHBDLO C[C@H]1SCC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)[C@H]1C ZINC000735668833 1131371899 /nfs/dbraw/zinc/37/18/99/1131371899.db2.gz ZPQCXPHJLVZDKB-VHSXEESVSA-N 1 2 339.442 3.655 20 5 EHBDLO C[C@H]1SCC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)[C@H]1C ZINC000735668833 1131371903 /nfs/dbraw/zinc/37/19/03/1131371903.db2.gz ZPQCXPHJLVZDKB-VHSXEESVSA-N 1 2 339.442 3.655 20 5 EHBDLO C[C@H]([NH2+][C@@H](CO)c1cccc(Cl)c1F)c1ccccc1[N+](=O)[O-] ZINC000499947232 1129587180 /nfs/dbraw/zinc/58/71/80/1129587180.db2.gz MQQJJVIUCBYRJT-HZMBPMFUSA-N 1 2 338.766 3.772 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000245421327 1130201383 /nfs/dbraw/zinc/20/13/83/1130201383.db2.gz HWWQGNDWVXYYKP-LIRRHRJNSA-N 1 2 339.395 3.535 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000245421327 1130201388 /nfs/dbraw/zinc/20/13/88/1130201388.db2.gz HWWQGNDWVXYYKP-LIRRHRJNSA-N 1 2 339.395 3.535 20 5 EHBDLO C[N@H+](Cc1ccc2c(c1)CCO2)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000732196830 1130891724 /nfs/dbraw/zinc/89/17/24/1130891724.db2.gz IIXQCCYGIHWTHW-UHFFFAOYSA-N 1 2 332.787 3.815 20 5 EHBDLO C[N@@H+](Cc1ccc2c(c1)CCO2)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000732196830 1130891729 /nfs/dbraw/zinc/89/17/29/1130891729.db2.gz IIXQCCYGIHWTHW-UHFFFAOYSA-N 1 2 332.787 3.815 20 5 EHBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@](F)(c2ccccc2C)C1 ZINC001169723391 1132835637 /nfs/dbraw/zinc/83/56/37/1132835637.db2.gz CVXBJVMQOAPUMA-IBGZPJMESA-N 1 2 344.386 3.983 20 5 EHBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@](F)(c2ccccc2C)C1 ZINC001169723391 1132835642 /nfs/dbraw/zinc/83/56/42/1132835642.db2.gz CVXBJVMQOAPUMA-IBGZPJMESA-N 1 2 344.386 3.983 20 5 EHBDLO Cc1cccn2cc(CCNc3cc(Cl)ccc3[N+](=O)[O-])[nH+]c12 ZINC001185593160 1134111397 /nfs/dbraw/zinc/11/13/97/1134111397.db2.gz KXIQGSPHRRYWPU-UHFFFAOYSA-N 1 2 330.775 3.859 20 5 EHBDLO CCC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](CC)C(=O)OCC ZINC001193363186 1135131237 /nfs/dbraw/zinc/13/12/37/1135131237.db2.gz AUBRNRZJGLPGNP-AWEZNQCLSA-N 1 2 342.823 3.802 20 5 EHBDLO CCC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](CC)C(=O)OCC ZINC001193363186 1135131241 /nfs/dbraw/zinc/13/12/41/1135131241.db2.gz AUBRNRZJGLPGNP-AWEZNQCLSA-N 1 2 342.823 3.802 20 5 EHBDLO Cc1ccc([C@H]2C[C@H](C)[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)cc1 ZINC001193932709 1135201397 /nfs/dbraw/zinc/20/13/97/1135201397.db2.gz RLJPSAMBSKZFRR-HOCLYGCPSA-N 1 2 326.396 3.987 20 5 EHBDLO Cc1ccc([C@H]2C[C@H](C)[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)cc1 ZINC001193932709 1135201404 /nfs/dbraw/zinc/20/14/04/1135201404.db2.gz RLJPSAMBSKZFRR-HOCLYGCPSA-N 1 2 326.396 3.987 20 5 EHBDLO Cc1cc(CNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)cc(C)[nH+]1 ZINC001199853923 1135932630 /nfs/dbraw/zinc/93/26/30/1135932630.db2.gz AQQCMDXDNTXBQX-UHFFFAOYSA-N 1 2 334.763 3.582 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCn2c(Cl)ccc2[C@@H]1C ZINC000794435485 1135952706 /nfs/dbraw/zinc/95/27/06/1135952706.db2.gz ORAYLFPISRUJBA-NSHDSACASA-N 1 2 335.791 3.635 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCn2c(Cl)ccc2[C@@H]1C ZINC000794435485 1135952710 /nfs/dbraw/zinc/95/27/10/1135952710.db2.gz ORAYLFPISRUJBA-NSHDSACASA-N 1 2 335.791 3.635 20 5 EHBDLO c1nn(CC2OCCO2)cc1Nc1ccc2[nH+]c3ccccc3cc2c1 ZINC001201265435 1136002453 /nfs/dbraw/zinc/00/24/53/1136002453.db2.gz UBAMRMSWRWXREW-UHFFFAOYSA-N 1 2 346.390 3.701 20 5 EHBDLO C[C@@H]1C[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CCC1(F)F ZINC000811780036 1136135048 /nfs/dbraw/zinc/13/50/48/1136135048.db2.gz UCOUEBDBMZZEQE-SECBINFHSA-N 1 2 343.355 3.807 20 5 EHBDLO C[C@@H]1C[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CCC1(F)F ZINC000811780036 1136135051 /nfs/dbraw/zinc/13/50/51/1136135051.db2.gz UCOUEBDBMZZEQE-SECBINFHSA-N 1 2 343.355 3.807 20 5 EHBDLO C[C@]12CC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C[C@H]1C2(Cl)Cl ZINC000852023122 1136428081 /nfs/dbraw/zinc/42/80/81/1136428081.db2.gz WIMMWRUKQKORHP-OLZOCXBDSA-N 1 2 333.190 3.750 20 5 EHBDLO C[C@]12CC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C[C@H]1C2(Cl)Cl ZINC000852023122 1136428083 /nfs/dbraw/zinc/42/80/83/1136428083.db2.gz WIMMWRUKQKORHP-OLZOCXBDSA-N 1 2 333.190 3.750 20 5 EHBDLO C[C@H]1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000820675852 1137000473 /nfs/dbraw/zinc/00/04/73/1137000473.db2.gz KPDMGMKRBSPYKP-ZUZCIYMTSA-N 1 2 338.770 3.671 20 5 EHBDLO C[C@@H]1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000820675849 1137000600 /nfs/dbraw/zinc/00/06/00/1137000600.db2.gz KPDMGMKRBSPYKP-BMIGLBTASA-N 1 2 338.770 3.671 20 5 EHBDLO C[C@@H]1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000820677016 1137000674 /nfs/dbraw/zinc/00/06/74/1137000674.db2.gz SEQXAJCXAMLNFF-ABAIWWIYSA-N 1 2 336.342 3.816 20 5 EHBDLO CC1(C)C[C@@H](O)CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000825090941 1137165118 /nfs/dbraw/zinc/16/51/18/1137165118.db2.gz OFHLUDBFIXHELM-LBPRGKRZSA-N 1 2 347.242 3.885 20 5 EHBDLO CC1(C)C[C@@H](O)CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000825090941 1137165120 /nfs/dbraw/zinc/16/51/20/1137165120.db2.gz OFHLUDBFIXHELM-LBPRGKRZSA-N 1 2 347.242 3.885 20 5 EHBDLO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000844383680 1137215814 /nfs/dbraw/zinc/21/58/14/1137215814.db2.gz LVPFBMOZIFSATL-UHFFFAOYSA-N 1 2 336.260 3.600 20 5 EHBDLO COc1ccc(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])c(OC)c1 ZINC000872025318 1137565817 /nfs/dbraw/zinc/56/58/17/1137565817.db2.gz KKRMLBFESPDUGM-NSHDSACASA-N 1 2 334.347 3.602 20 5 EHBDLO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cn2ccsc2n1 ZINC000872029115 1137566122 /nfs/dbraw/zinc/56/61/22/1137566122.db2.gz VAHPKDIPKXEANE-JTQLQIEISA-N 1 2 348.453 3.877 20 5 EHBDLO CCn1ccnc1[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872075956 1137569993 /nfs/dbraw/zinc/56/99/93/1137569993.db2.gz HAMPQELZVHZLHX-NEPJUHHUSA-N 1 2 334.445 3.945 20 5 EHBDLO CCOc1ccc([C@H](C)[NH2+]Cc2ncc(Cl)s2)cc1[N+](=O)[O-] ZINC000872115095 1137572227 /nfs/dbraw/zinc/57/22/27/1137572227.db2.gz HDXBXVDXUIMUAK-VIFPVBQESA-N 1 2 341.820 3.954 20 5 EHBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@]2(CO)CCC[C@@H]12 ZINC000886633474 1138104024 /nfs/dbraw/zinc/10/40/24/1138104024.db2.gz WQKJXMUZAPILLD-UKRRQHHQSA-N 1 2 345.226 3.639 20 5 EHBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@]2(CO)CCC[C@@H]12 ZINC000886633474 1138104026 /nfs/dbraw/zinc/10/40/26/1138104026.db2.gz WQKJXMUZAPILLD-UKRRQHHQSA-N 1 2 345.226 3.639 20 5 EHBDLO COc1cc(C[N@H+](Cc2ccco2)C(C)C)c([N+](=O)[O-])cc1OC ZINC000271060375 1141303010 /nfs/dbraw/zinc/30/30/10/1141303010.db2.gz WOBXUWJEDLQUED-UHFFFAOYSA-N 1 2 334.372 3.616 20 5 EHBDLO COc1cc(C[N@@H+](Cc2ccco2)C(C)C)c([N+](=O)[O-])cc1OC ZINC000271060375 1141303017 /nfs/dbraw/zinc/30/30/17/1141303017.db2.gz WOBXUWJEDLQUED-UHFFFAOYSA-N 1 2 334.372 3.616 20 5 EHBDLO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2nnc(C(C)C)[nH]2)cc1[N+](=O)[O-] ZINC000271451669 1141370493 /nfs/dbraw/zinc/37/04/93/1141370493.db2.gz GHGBXGWLYWWOCV-NWDGAFQWSA-N 1 2 347.419 3.647 20 5 EHBDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000271576475 1141401265 /nfs/dbraw/zinc/40/12/65/1141401265.db2.gz PHQMOJYPFWDWGK-OAHLLOKOSA-N 1 2 334.807 3.925 20 5 EHBDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000271576475 1141401268 /nfs/dbraw/zinc/40/12/68/1141401268.db2.gz PHQMOJYPFWDWGK-OAHLLOKOSA-N 1 2 334.807 3.925 20 5 EHBDLO CC(C)[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000071012378 1125458992 /nfs/dbraw/zinc/45/89/92/1125458992.db2.gz QXAIDBWKZWERSY-UHFFFAOYSA-N 1 2 345.374 3.583 20 5 EHBDLO CC(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000071012378 1125458994 /nfs/dbraw/zinc/45/89/94/1125458994.db2.gz QXAIDBWKZWERSY-UHFFFAOYSA-N 1 2 345.374 3.583 20 5 EHBDLO O=C(Nc1ccc2[nH+]ccn2c1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000609623071 1015796946 /nfs/dbraw/zinc/79/69/46/1015796946.db2.gz IYKZWXMGQBZMDT-UHFFFAOYSA-N 1 2 338.348 3.710 20 5 EHBDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000610281480 1017615298 /nfs/dbraw/zinc/61/52/98/1017615298.db2.gz BDYRZQUGVPCQBX-CYBMUJFWSA-N 1 2 346.818 3.526 20 5 EHBDLO O=[N+]([O-])c1ccccc1OCC[NH+](Cc1ccco1)Cc1ccco1 ZINC000051126834 1018387010 /nfs/dbraw/zinc/38/70/10/1018387010.db2.gz IUDYCSORHGLTTD-UHFFFAOYSA-N 1 2 342.351 3.862 20 5 EHBDLO CC[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000610420480 1019022651 /nfs/dbraw/zinc/02/26/51/1019022651.db2.gz VCLSYLOLPCMMRS-DZGCQCFKSA-N 1 2 343.431 3.715 20 5 EHBDLO CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](C)c1cccc(OC)c1 ZINC000581417142 1020856661 /nfs/dbraw/zinc/85/66/61/1020856661.db2.gz DFZBFGOPYYZOAU-ZDUSSCGKSA-N 1 2 330.384 3.892 20 5 EHBDLO CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](C)c1cccc(OC)c1 ZINC000581417142 1020856664 /nfs/dbraw/zinc/85/66/64/1020856664.db2.gz DFZBFGOPYYZOAU-ZDUSSCGKSA-N 1 2 330.384 3.892 20 5 EHBDLO Cc1cc(C)c(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC000097040073 1021116900 /nfs/dbraw/zinc/11/69/00/1021116900.db2.gz JOHXNVZRODFOBQ-UHFFFAOYSA-N 1 2 331.397 3.646 20 5 EHBDLO CC1(C)C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440553925 1021609515 /nfs/dbraw/zinc/60/95/15/1021609515.db2.gz UEWODWIEXZFEGN-TYILLQQXSA-N 1 2 348.418 3.904 20 5 EHBDLO CC1(C)C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440553925 1021609519 /nfs/dbraw/zinc/60/95/19/1021609519.db2.gz UEWODWIEXZFEGN-TYILLQQXSA-N 1 2 348.418 3.904 20 5 EHBDLO Cc1c(C[N@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)cccc1[N+](=O)[O-] ZINC000120773143 1022150252 /nfs/dbraw/zinc/15/02/52/1022150252.db2.gz DXQPYPRKCVLYDQ-PXAZEXFGSA-N 1 2 332.425 3.927 20 5 EHBDLO Cc1c(C[N@@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)cccc1[N+](=O)[O-] ZINC000120773143 1022150260 /nfs/dbraw/zinc/15/02/60/1022150260.db2.gz DXQPYPRKCVLYDQ-PXAZEXFGSA-N 1 2 332.425 3.927 20 5 EHBDLO C[C@@H]1C[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H](C)S1 ZINC000519521047 1022228600 /nfs/dbraw/zinc/22/86/00/1022228600.db2.gz JMWDYEAYRAJGPX-NXEZZACHSA-N 1 2 334.363 3.939 20 5 EHBDLO C[C@]1(c2ccc(F)cc2)CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000550000929 1022534395 /nfs/dbraw/zinc/53/43/95/1022534395.db2.gz YLJQNHWWQDHEAY-SFHVURJKSA-N 1 2 330.359 3.603 20 5 EHBDLO C[C@]1(c2ccc(F)cc2)CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000550000929 1022534406 /nfs/dbraw/zinc/53/44/06/1022534406.db2.gz YLJQNHWWQDHEAY-SFHVURJKSA-N 1 2 330.359 3.603 20 5 EHBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(Oc3ccccc3F)CC2)cs1 ZINC000602736419 1033126759 /nfs/dbraw/zinc/12/67/59/1033126759.db2.gz MCNVAINLMBNMDG-UHFFFAOYSA-N 1 2 336.388 3.839 20 5 EHBDLO COCCCC[N@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092507027 1023397929 /nfs/dbraw/zinc/39/79/29/1023397929.db2.gz GEYKIVAMXRZMPI-UHFFFAOYSA-N 1 2 344.411 3.729 20 5 EHBDLO COCCCC[N@@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092507027 1023397936 /nfs/dbraw/zinc/39/79/36/1023397936.db2.gz GEYKIVAMXRZMPI-UHFFFAOYSA-N 1 2 344.411 3.729 20 5 EHBDLO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602769796 1033167424 /nfs/dbraw/zinc/16/74/24/1033167424.db2.gz RCWKGGJQVOZGNX-SNVBAGLBSA-N 1 2 342.321 3.540 20 5 EHBDLO C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602769796 1033167431 /nfs/dbraw/zinc/16/74/31/1033167431.db2.gz RCWKGGJQVOZGNX-SNVBAGLBSA-N 1 2 342.321 3.540 20 5 EHBDLO Cc1cn2c([nH+]1)[C@H](CNc1ccc([N+](=O)[O-])c3ncccc13)CCC2 ZINC000413195685 1027260646 /nfs/dbraw/zinc/26/06/46/1027260646.db2.gz CXACDOQANPADEF-ZDUSSCGKSA-N 1 2 337.383 3.637 20 5 EHBDLO Cc1nc2ccccn2c1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135236081 1027682043 /nfs/dbraw/zinc/68/20/43/1027682043.db2.gz YJOXNNHOWUFPQG-UHFFFAOYSA-N 1 2 336.395 3.716 20 5 EHBDLO Cc1nc2ccccn2c1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135236081 1027682056 /nfs/dbraw/zinc/68/20/56/1027682056.db2.gz YJOXNNHOWUFPQG-UHFFFAOYSA-N 1 2 336.395 3.716 20 5 EHBDLO CCc1ccc([C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CCO2)cc1 ZINC000483434033 1031169491 /nfs/dbraw/zinc/16/94/91/1031169491.db2.gz OCRXCTUCKMREJA-IBGZPJMESA-N 1 2 326.396 3.731 20 5 EHBDLO CCc1ccc([C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CCO2)cc1 ZINC000483434033 1031169500 /nfs/dbraw/zinc/16/95/00/1031169500.db2.gz OCRXCTUCKMREJA-IBGZPJMESA-N 1 2 326.396 3.731 20 5 EHBDLO Cc1[nH]c([C@@H]2CCCN2c2ccc3ncccc3c2[N+](=O)[O-])[nH+]c1C ZINC000904217986 1031855442 /nfs/dbraw/zinc/85/54/42/1031855442.db2.gz YTVVGTKCYNTRES-INIZCTEOSA-N 1 2 337.383 3.824 20 5 EHBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cncc(Cl)c3)CC2)cc1 ZINC000598596363 1033319810 /nfs/dbraw/zinc/31/98/10/1033319810.db2.gz RDPYRWLLUWGTHI-UHFFFAOYSA-N 1 2 347.802 3.687 20 5 EHBDLO Cc1c[nH+]c(CCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)c(C)c1 ZINC000594595775 1033443708 /nfs/dbraw/zinc/44/37/08/1033443708.db2.gz KFHYOTRYBOATMY-UHFFFAOYSA-N 1 2 337.326 3.863 20 5 EHBDLO O=[N+]([O-])c1cccc2c1ccnc2NC1CCN(c2cccc[nH+]2)CC1 ZINC000450256237 1033976837 /nfs/dbraw/zinc/97/68/37/1033976837.db2.gz GDKYHQYDTKATLY-UHFFFAOYSA-N 1 2 349.394 3.619 20 5 EHBDLO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H](c3ccccn3)C3CCC3)nc2c1 ZINC000599573658 1034019935 /nfs/dbraw/zinc/01/99/35/1034019935.db2.gz KFIZRITYAOKAGZ-GOSISDBHSA-N 1 2 338.367 3.762 20 5 EHBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411936062 1035080488 /nfs/dbraw/zinc/08/04/88/1035080488.db2.gz IITMXRRKPGEREX-HZPDHXFCSA-N 1 2 332.787 3.556 20 5 EHBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411936062 1035080493 /nfs/dbraw/zinc/08/04/93/1035080493.db2.gz IITMXRRKPGEREX-HZPDHXFCSA-N 1 2 332.787 3.556 20 5 EHBDLO COc1ncccc1C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180079627 1035372382 /nfs/dbraw/zinc/37/23/82/1035372382.db2.gz TZVJDZCNLDQLSU-IBGZPJMESA-N 1 2 349.390 3.878 20 5 EHBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000541700137 1036576275 /nfs/dbraw/zinc/57/62/75/1036576275.db2.gz HXHWYXCCUWNHML-WMZOPIPTSA-N 1 2 340.423 3.989 20 5 EHBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000541700137 1036576286 /nfs/dbraw/zinc/57/62/86/1036576286.db2.gz HXHWYXCCUWNHML-WMZOPIPTSA-N 1 2 340.423 3.989 20 5 EHBDLO Cc1ccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(C)C)nc1 ZINC000590754936 1037026907 /nfs/dbraw/zinc/02/69/07/1037026907.db2.gz UFCMUYFWSKZHHB-UHFFFAOYSA-N 1 2 329.400 3.717 20 5 EHBDLO Cc1ccc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(C)C)nc1 ZINC000590754936 1037026927 /nfs/dbraw/zinc/02/69/27/1037026927.db2.gz UFCMUYFWSKZHHB-UHFFFAOYSA-N 1 2 329.400 3.717 20 5 EHBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccn(-c3ccccc3)n2)cc1Cl ZINC000761521588 1037097756 /nfs/dbraw/zinc/09/77/56/1037097756.db2.gz ITEPJGGJQJLIBX-UHFFFAOYSA-N 1 2 342.786 3.724 20 5 EHBDLO O=[N+]([O-])c1cc(NCCCCn2cc[nH+]c2)ccc1C(F)(F)F ZINC000596184317 1037437568 /nfs/dbraw/zinc/43/75/68/1037437568.db2.gz GIZNJJJYEWJPHV-UHFFFAOYSA-N 1 2 328.294 3.702 20 5 EHBDLO C[C@H](c1ccsc1)[NH+]1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000553494168 1040109014 /nfs/dbraw/zinc/10/90/14/1040109014.db2.gz GIDGBXYEEHQLFG-GFCCVEGCSA-N 1 2 335.404 3.679 20 5 EHBDLO C[C@@H]1COCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000091800347 1040260998 /nfs/dbraw/zinc/26/09/98/1040260998.db2.gz QJZKAABZJAGKOO-LLVKDONJSA-N 1 2 336.775 3.729 20 5 EHBDLO C[C@@H]1COCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000091800347 1040261013 /nfs/dbraw/zinc/26/10/13/1040261013.db2.gz QJZKAABZJAGKOO-LLVKDONJSA-N 1 2 336.775 3.729 20 5 EHBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)c1ccccc1F ZINC000026924343 1041758639 /nfs/dbraw/zinc/75/86/39/1041758639.db2.gz LEEUSJLBNIBXKW-INIZCTEOSA-N 1 2 338.766 3.553 20 5 EHBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)c1ccccc1F ZINC000026924343 1041758645 /nfs/dbraw/zinc/75/86/45/1041758645.db2.gz LEEUSJLBNIBXKW-INIZCTEOSA-N 1 2 338.766 3.553 20 5 EHBDLO CO[C@H](C)c1nc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000165237513 1042704655 /nfs/dbraw/zinc/70/46/55/1042704655.db2.gz DSLWVYIMPSQHSD-VXGBXAGGSA-N 1 2 335.429 3.918 20 5 EHBDLO CCOC(=O)C(C)(C)[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000552056409 1127552384 /nfs/dbraw/zinc/55/23/84/1127552384.db2.gz BTOWHFZARUHYHM-UHFFFAOYSA-N 1 2 346.383 3.628 20 5 EHBDLO CCOC(=O)C(C)(C)[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000552056409 1127552388 /nfs/dbraw/zinc/55/23/88/1127552388.db2.gz BTOWHFZARUHYHM-UHFFFAOYSA-N 1 2 346.383 3.628 20 5 EHBDLO CCC[N@H+](CC)Cn1nc(-c2ccc([N+](=O)[O-])cc2)n(CC)c1=S ZINC000764945278 1127558477 /nfs/dbraw/zinc/55/84/77/1127558477.db2.gz HVNZYSJVKFCWTM-UHFFFAOYSA-N 1 2 349.460 3.699 20 5 EHBDLO CCC[N@@H+](CC)Cn1nc(-c2ccc([N+](=O)[O-])cc2)n(CC)c1=S ZINC000764945278 1127558478 /nfs/dbraw/zinc/55/84/78/1127558478.db2.gz HVNZYSJVKFCWTM-UHFFFAOYSA-N 1 2 349.460 3.699 20 5 EHBDLO CCC[C@@H](C)c1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000761831218 1120974903 /nfs/dbraw/zinc/97/49/03/1120974903.db2.gz AYLGMDKTYPEETG-LLVKDONJSA-N 1 2 327.344 3.734 20 5 EHBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]Cc3cccc(O)c3)cs2)c1 ZINC000113332451 1129002442 /nfs/dbraw/zinc/00/24/42/1129002442.db2.gz SJUMFOGXDYDMOS-UHFFFAOYSA-N 1 2 341.392 3.714 20 5 EHBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2nccc3c2CCCC3)c(Cl)c1 ZINC000922004848 1129018711 /nfs/dbraw/zinc/01/87/11/1129018711.db2.gz VZVYJAOSJATBNT-UHFFFAOYSA-N 1 2 331.803 3.812 20 5 EHBDLO COc1ccc(CNc2[nH+]c3cc(Cl)ccc3n2C)cc1[N+](=O)[O-] ZINC000182191385 1125194793 /nfs/dbraw/zinc/19/47/93/1125194793.db2.gz OKPFRCSYQPQJCT-UHFFFAOYSA-N 1 2 346.774 3.756 20 5 EHBDLO C[N@H+](Cc1ccc(Br)o1)Cc1cccc([N+](=O)[O-])c1 ZINC000030213137 1129913737 /nfs/dbraw/zinc/91/37/37/1129913737.db2.gz UCSBKOVTQVSXJT-UHFFFAOYSA-N 1 2 325.162 3.582 20 5 EHBDLO C[N@@H+](Cc1ccc(Br)o1)Cc1cccc([N+](=O)[O-])c1 ZINC000030213137 1129913740 /nfs/dbraw/zinc/91/37/40/1129913740.db2.gz UCSBKOVTQVSXJT-UHFFFAOYSA-N 1 2 325.162 3.582 20 5 EHBDLO C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1nc(C(C)(C)C)no1 ZINC000174661683 1130375331 /nfs/dbraw/zinc/37/53/31/1130375331.db2.gz IKPKWODTNKJFHK-CRALRDPISA-N 1 2 330.388 3.639 20 5 EHBDLO CCCCCCOC(=O)C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899668 1131882499 /nfs/dbraw/zinc/88/24/99/1131882499.db2.gz DTGXJRTXLWKMSY-KRWDZBQOSA-N 1 2 348.443 3.555 20 5 EHBDLO C[C@H]([NH2+]Cc1ncccc1Br)c1ccc([N+](=O)[O-])cc1 ZINC001176036091 1132826096 /nfs/dbraw/zinc/82/60/96/1132826096.db2.gz IVFUFYYOLLRYJP-JTQLQIEISA-N 1 2 336.189 3.603 20 5 EHBDLO Cc1cc(N[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)ccc1[NH+](C)C ZINC000774321815 1133660903 /nfs/dbraw/zinc/66/09/03/1133660903.db2.gz ASURFGGGZPSVPR-WBVHZDCISA-N 1 2 343.431 3.762 20 5 EHBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1ncc(Cl)n1C ZINC000787412610 1134001003 /nfs/dbraw/zinc/00/10/03/1134001003.db2.gz GUNJCJDOXJXEEJ-GHXNOFRVSA-N 1 2 334.807 3.517 20 5 EHBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1ncc(Cl)n1C ZINC000787412610 1134001009 /nfs/dbraw/zinc/00/10/09/1134001009.db2.gz GUNJCJDOXJXEEJ-GHXNOFRVSA-N 1 2 334.807 3.517 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC001190392125 1134689958 /nfs/dbraw/zinc/68/99/58/1134689958.db2.gz LKKBOQSCUAYFMA-QGZVFWFLSA-N 1 2 326.396 3.898 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC001190392125 1134689962 /nfs/dbraw/zinc/68/99/62/1134689962.db2.gz LKKBOQSCUAYFMA-QGZVFWFLSA-N 1 2 326.396 3.898 20 5 EHBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nccc(Cl)c1Cl ZINC001170195600 1134711437 /nfs/dbraw/zinc/71/14/37/1134711437.db2.gz VRPUYSZYVCNSSS-UHFFFAOYSA-N 1 2 340.210 3.971 20 5 EHBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1nccc(Cl)c1Cl ZINC001170195600 1134711441 /nfs/dbraw/zinc/71/14/41/1134711441.db2.gz VRPUYSZYVCNSSS-UHFFFAOYSA-N 1 2 340.210 3.971 20 5 EHBDLO O=C(C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)c1ccccc1F ZINC001194477775 1135276884 /nfs/dbraw/zinc/27/68/84/1135276884.db2.gz QMGIVSOFHMCRFP-HNNXBMFYSA-N 1 2 342.370 3.796 20 5 EHBDLO O=C(C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)c1ccccc1F ZINC001194477775 1135276889 /nfs/dbraw/zinc/27/68/89/1135276889.db2.gz QMGIVSOFHMCRFP-HNNXBMFYSA-N 1 2 342.370 3.796 20 5 EHBDLO C[C@@H]1CC=CC[C@@H]1COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000857781396 1136907182 /nfs/dbraw/zinc/90/71/82/1136907182.db2.gz KXMAGBLSYWVIRG-UKRRQHHQSA-N 1 2 341.367 3.540 20 5 EHBDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc2ncsc2c1 ZINC000339091805 1137457244 /nfs/dbraw/zinc/45/72/44/1137457244.db2.gz ULSFHDFKIZZJSQ-SNVBAGLBSA-N 1 2 329.381 3.761 20 5 EHBDLO COCCOc1ccccc1C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872024375 1137565509 /nfs/dbraw/zinc/56/55/09/1137565509.db2.gz RFHXAUNSVQAUSL-CYBMUJFWSA-N 1 2 348.374 3.610 20 5 EHBDLO CC(C)Oc1ccc(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])cn1 ZINC000872025604 1137565643 /nfs/dbraw/zinc/56/56/43/1137565643.db2.gz PZGUHNJXWAJGDR-LBPRGKRZSA-N 1 2 333.363 3.767 20 5 EHBDLO C[C@@H]([NH2+]Cc1cccnc1N1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872085597 1137570483 /nfs/dbraw/zinc/57/04/83/1137570483.db2.gz PXPYGADNWPQYEZ-CYBMUJFWSA-N 1 2 344.390 3.580 20 5 EHBDLO C[C@H]([NH2+]Cc1cnccc1C(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872089031 1137570751 /nfs/dbraw/zinc/57/07/51/1137570751.db2.gz YDDJGMDPGGFAKR-VIFPVBQESA-N 1 2 343.280 3.999 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccc(C)nc1Cl ZINC000883301633 1137853391 /nfs/dbraw/zinc/85/33/91/1137853391.db2.gz FPVRANGURHFFTQ-LLVKDONJSA-N 1 2 335.791 3.811 20 5 EHBDLO CCC[C@H]([NH2+]C1(c2ncccn2)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000883314027 1137854135 /nfs/dbraw/zinc/85/41/35/1137854135.db2.gz SXDMVOTZHBFBRS-INIZCTEOSA-N 1 2 326.400 3.895 20 5 EHBDLO C[N@H+](Cc1ccc(OC(F)(F)F)cc1)Cc1cccnc1[N+](=O)[O-] ZINC000885937646 1138026646 /nfs/dbraw/zinc/02/66/46/1138026646.db2.gz GDQKCFGZAXHIFI-UHFFFAOYSA-N 1 2 341.289 3.520 20 5 EHBDLO C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)Cc1cccnc1[N+](=O)[O-] ZINC000885937646 1138026648 /nfs/dbraw/zinc/02/66/48/1138026648.db2.gz GDQKCFGZAXHIFI-UHFFFAOYSA-N 1 2 341.289 3.520 20 5 EHBDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000337722198 1138652047 /nfs/dbraw/zinc/65/20/47/1138652047.db2.gz WVZDPRPAZNGJMI-CYBMUJFWSA-N 1 2 349.431 3.674 20 5 EHBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ncc(Br)s1 ZINC000180417728 1139832616 /nfs/dbraw/zinc/83/26/16/1139832616.db2.gz QPYRBSMSKORXLT-QMMMGPOBSA-N 1 2 342.218 3.665 20 5 EHBDLO Cc1cnc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)s1 ZINC000185010392 1140131422 /nfs/dbraw/zinc/13/14/22/1140131422.db2.gz VWGTUDKUUXFXRG-LBPRGKRZSA-N 1 2 335.429 3.998 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1ccc(Cl)s1 ZINC000430215116 1015034071 /nfs/dbraw/zinc/03/40/71/1015034071.db2.gz BSOXJHQAOPYVAY-UHFFFAOYSA-N 1 2 326.805 3.950 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1ccc(Cl)s1 ZINC000430215116 1015034083 /nfs/dbraw/zinc/03/40/83/1015034083.db2.gz BSOXJHQAOPYVAY-UHFFFAOYSA-N 1 2 326.805 3.950 20 5 EHBDLO COC(=O)c1oc([C@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1C ZINC000537178861 1032550378 /nfs/dbraw/zinc/55/03/78/1032550378.db2.gz DTKULSRBNHHBFE-RYUDHWBXSA-N 1 2 332.356 3.695 20 5 EHBDLO Cc1cccc2nc(C[N@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)cn21 ZINC000178000310 1020850297 /nfs/dbraw/zinc/85/02/97/1020850297.db2.gz NLPQTYQSUPSFJJ-UHFFFAOYSA-N 1 2 336.395 3.716 20 5 EHBDLO Cc1cccc2nc(C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)cn21 ZINC000178000310 1020850303 /nfs/dbraw/zinc/85/03/03/1020850303.db2.gz NLPQTYQSUPSFJJ-UHFFFAOYSA-N 1 2 336.395 3.716 20 5 EHBDLO C[C@@H]1c2ccsc2CC[N@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000023854653 1021092787 /nfs/dbraw/zinc/09/27/87/1021092787.db2.gz PVPIVUABFLVYIZ-LLVKDONJSA-N 1 2 328.397 3.583 20 5 EHBDLO C[C@@H]1c2ccsc2CC[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000023854653 1021092790 /nfs/dbraw/zinc/09/27/90/1021092790.db2.gz PVPIVUABFLVYIZ-LLVKDONJSA-N 1 2 328.397 3.583 20 5 EHBDLO CCSc1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)ccn1 ZINC000602623160 1033016472 /nfs/dbraw/zinc/01/64/72/1033016472.db2.gz FHVXCDHEJQTRTM-UHFFFAOYSA-N 1 2 344.396 3.533 20 5 EHBDLO COc1cc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)c([N+](=O)[O-])cc1F ZINC000184237912 1022605177 /nfs/dbraw/zinc/60/51/77/1022605177.db2.gz WDLBTQRSIZCYDN-MRXNPFEDSA-N 1 2 345.374 3.783 20 5 EHBDLO COc1cc(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)c([N+](=O)[O-])cc1F ZINC000184237912 1022605184 /nfs/dbraw/zinc/60/51/84/1022605184.db2.gz WDLBTQRSIZCYDN-MRXNPFEDSA-N 1 2 345.374 3.783 20 5 EHBDLO COc1cc2c(c(C[N@H+](C)Cc3ccccc3[N+](=O)[O-])c1)O[C@@H](C)C2 ZINC000507131618 1023144460 /nfs/dbraw/zinc/14/44/60/1023144460.db2.gz CSUOGIIZZVQWFW-ZDUSSCGKSA-N 1 2 342.395 3.559 20 5 EHBDLO COc1cc2c(c(C[N@@H+](C)Cc3ccccc3[N+](=O)[O-])c1)O[C@@H](C)C2 ZINC000507131618 1023144463 /nfs/dbraw/zinc/14/44/63/1023144463.db2.gz CSUOGIIZZVQWFW-ZDUSSCGKSA-N 1 2 342.395 3.559 20 5 EHBDLO O=[N+]([O-])c1ccc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)c(F)c1 ZINC000063254680 1033144412 /nfs/dbraw/zinc/14/44/12/1033144412.db2.gz YZIQHMHHMTVQPH-UHFFFAOYSA-N 1 2 330.294 3.671 20 5 EHBDLO O=[N+]([O-])c1cnc2ccccc2c1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895349510 1024356101 /nfs/dbraw/zinc/35/61/01/1024356101.db2.gz MJNOSLJZOUJEEY-UHFFFAOYSA-N 1 2 349.394 3.619 20 5 EHBDLO Cc1ccc2nc(C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)cn2c1 ZINC000130026156 1025888052 /nfs/dbraw/zinc/88/80/52/1025888052.db2.gz PJUVKUQGUJOJSK-UHFFFAOYSA-N 1 2 336.395 3.716 20 5 EHBDLO Cc1ccc2nc(C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)cn2c1 ZINC000130026156 1025888067 /nfs/dbraw/zinc/88/80/67/1025888067.db2.gz PJUVKUQGUJOJSK-UHFFFAOYSA-N 1 2 336.395 3.716 20 5 EHBDLO CCO[C@H]1C[C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C12CCCCC2 ZINC000339124532 1026385331 /nfs/dbraw/zinc/38/53/31/1026385331.db2.gz MQLOLEOBJBABEF-IRXDYDNUSA-N 1 2 334.416 3.518 20 5 EHBDLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000342915217 1028092329 /nfs/dbraw/zinc/09/23/29/1028092329.db2.gz QWQRINFQRKAZQZ-UHFFFAOYSA-N 1 2 347.334 3.514 20 5 EHBDLO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC000444623538 1028097220 /nfs/dbraw/zinc/09/72/20/1028097220.db2.gz BSEPFYXVRZCGIZ-SNVBAGLBSA-N 1 2 345.428 3.737 20 5 EHBDLO Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC000444623538 1028097232 /nfs/dbraw/zinc/09/72/32/1028097232.db2.gz BSEPFYXVRZCGIZ-SNVBAGLBSA-N 1 2 345.428 3.737 20 5 EHBDLO COc1cc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)ccc1SC ZINC000088607613 1028589269 /nfs/dbraw/zinc/58/92/69/1028589269.db2.gz CTCGJLRXASGANJ-UHFFFAOYSA-N 1 2 344.436 3.884 20 5 EHBDLO COc1cc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)ccc1SC ZINC000088607613 1028589281 /nfs/dbraw/zinc/58/92/81/1028589281.db2.gz CTCGJLRXASGANJ-UHFFFAOYSA-N 1 2 344.436 3.884 20 5 EHBDLO CC1(C)CCCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000446076047 1029392156 /nfs/dbraw/zinc/39/21/56/1029392156.db2.gz DHPXTNYJCOEKGS-UHFFFAOYSA-N 1 2 339.823 3.699 20 5 EHBDLO CC1(C)CCCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000446076047 1029392171 /nfs/dbraw/zinc/39/21/71/1029392171.db2.gz DHPXTNYJCOEKGS-UHFFFAOYSA-N 1 2 339.823 3.699 20 5 EHBDLO CCOc1ccc([N+](=O)[O-])cc1CNc1ccc(-n2cc[nH+]c2)cc1 ZINC000155928635 1029698591 /nfs/dbraw/zinc/69/85/91/1029698591.db2.gz GSCUUDFVQNCEIF-UHFFFAOYSA-N 1 2 338.367 3.791 20 5 EHBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cccc(Cl)c3F)nc2c1 ZINC000446850208 1029817797 /nfs/dbraw/zinc/81/77/97/1029817797.db2.gz WVPVHTXJFYHPHQ-UHFFFAOYSA-N 1 2 334.738 3.553 20 5 EHBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000536172373 1031253524 /nfs/dbraw/zinc/25/35/24/1031253524.db2.gz FAGHMJWMDJVPRC-CYBMUJFWSA-N 1 2 331.416 3.600 20 5 EHBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000536172373 1031253538 /nfs/dbraw/zinc/25/35/38/1031253538.db2.gz FAGHMJWMDJVPRC-CYBMUJFWSA-N 1 2 331.416 3.600 20 5 EHBDLO CC(C)c1nnc([C@@H](C)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)[nH]1 ZINC000278610968 1031635617 /nfs/dbraw/zinc/63/56/17/1031635617.db2.gz FPTGUAMYFAPEHT-ABAIWWIYSA-N 1 2 329.404 3.565 20 5 EHBDLO C[N@H+](Cc1cc(Cl)c2c(c1)OCCO2)Cc1ccccc1[N+](=O)[O-] ZINC000046598940 1033334741 /nfs/dbraw/zinc/33/47/41/1033334741.db2.gz HLCUNSJCPRYPJM-UHFFFAOYSA-N 1 2 348.786 3.651 20 5 EHBDLO C[N@@H+](Cc1cc(Cl)c2c(c1)OCCO2)Cc1ccccc1[N+](=O)[O-] ZINC000046598940 1033334749 /nfs/dbraw/zinc/33/47/49/1033334749.db2.gz HLCUNSJCPRYPJM-UHFFFAOYSA-N 1 2 348.786 3.651 20 5 EHBDLO COc1ccnc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1F ZINC000595081148 1033696032 /nfs/dbraw/zinc/69/60/32/1033696032.db2.gz QDSUTAQKTAQYMX-CQSZACIVSA-N 1 2 345.374 3.650 20 5 EHBDLO Cc1noc(C[NH+]2CCC(Oc3cc(C)ccc3C)CC2)c1[N+](=O)[O-] ZINC000595295161 1033720801 /nfs/dbraw/zinc/72/08/01/1033720801.db2.gz HHTWCNKDCVJFRU-UHFFFAOYSA-N 1 2 345.399 3.551 20 5 EHBDLO CC[C@@H]([NH2+][C@@H](C)c1ncc(C(=O)OC)s1)c1cccc([N+](=O)[O-])c1 ZINC000414118175 1035602750 /nfs/dbraw/zinc/60/27/50/1035602750.db2.gz UOIGDTBCHLDRHK-GXFFZTMASA-N 1 2 349.412 3.640 20 5 EHBDLO CCOc1cc(C[N@H+](C)Cc2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000492354464 1035656777 /nfs/dbraw/zinc/65/67/77/1035656777.db2.gz FSHUSSXACHPCCG-UHFFFAOYSA-N 1 2 336.338 3.904 20 5 EHBDLO CCOc1cc(C[N@@H+](C)Cc2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000492354464 1035656787 /nfs/dbraw/zinc/65/67/87/1035656787.db2.gz FSHUSSXACHPCCG-UHFFFAOYSA-N 1 2 336.338 3.904 20 5 EHBDLO CCO[C@@H](C)c1nc(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000075888021 1036187262 /nfs/dbraw/zinc/18/72/62/1036187262.db2.gz POXNDFGMXROQIU-ZDUSSCGKSA-N 1 2 349.456 3.823 20 5 EHBDLO CCO[C@@H](C)c1nc(C[N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000075888021 1036187271 /nfs/dbraw/zinc/18/72/71/1036187271.db2.gz POXNDFGMXROQIU-ZDUSSCGKSA-N 1 2 349.456 3.823 20 5 EHBDLO COc1ccc(C[N@@H+]2CCOc3ccccc3[C@@H]2C)cc1[N+](=O)[O-] ZINC000609145443 1037057477 /nfs/dbraw/zinc/05/74/77/1037057477.db2.gz CUCGQUHNIYXYHP-ZDUSSCGKSA-N 1 2 328.368 3.559 20 5 EHBDLO COc1ccc(C[N@H+]2CCOc3ccccc3[C@@H]2C)cc1[N+](=O)[O-] ZINC000609145443 1037057496 /nfs/dbraw/zinc/05/74/96/1037057496.db2.gz CUCGQUHNIYXYHP-ZDUSSCGKSA-N 1 2 328.368 3.559 20 5 EHBDLO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000461361998 1038366202 /nfs/dbraw/zinc/36/62/02/1038366202.db2.gz KFJGLHBEYVJTHR-OAHLLOKOSA-N 1 2 331.441 3.757 20 5 EHBDLO CC[C@@H]1CN(c2ccccc2)CC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000461361998 1038366211 /nfs/dbraw/zinc/36/62/11/1038366211.db2.gz KFJGLHBEYVJTHR-OAHLLOKOSA-N 1 2 331.441 3.757 20 5 EHBDLO COc1cc2c(cc1F)C[N@H+](Cc1cccc([N+](=O)[O-])c1C)CC2 ZINC000538636640 1038442170 /nfs/dbraw/zinc/44/21/70/1038442170.db2.gz FDXIDFMSIHNQPT-UHFFFAOYSA-N 1 2 330.359 3.609 20 5 EHBDLO COc1cc2c(cc1F)C[N@@H+](Cc1cccc([N+](=O)[O-])c1C)CC2 ZINC000538636640 1038442176 /nfs/dbraw/zinc/44/21/76/1038442176.db2.gz FDXIDFMSIHNQPT-UHFFFAOYSA-N 1 2 330.359 3.609 20 5 EHBDLO C[C@@H]1SCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H]1C ZINC000549845165 1040032672 /nfs/dbraw/zinc/03/26/72/1040032672.db2.gz GQWCROHNBFQFPQ-UWVGGRQHSA-N 1 2 334.363 3.939 20 5 EHBDLO C[C@@H]1SCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H]1C ZINC000549845165 1040032684 /nfs/dbraw/zinc/03/26/84/1040032684.db2.gz GQWCROHNBFQFPQ-UWVGGRQHSA-N 1 2 334.363 3.939 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c(Cl)c1 ZINC000571211712 1041254176 /nfs/dbraw/zinc/25/41/76/1041254176.db2.gz LOYNSERWAVLEOK-HOTGVXAUSA-N 1 2 336.819 3.782 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c(Cl)c1 ZINC000571211712 1041254188 /nfs/dbraw/zinc/25/41/88/1041254188.db2.gz LOYNSERWAVLEOK-HOTGVXAUSA-N 1 2 336.819 3.782 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c(Cl)c1 ZINC000571211714 1041254595 /nfs/dbraw/zinc/25/45/95/1041254595.db2.gz LOYNSERWAVLEOK-HZPDHXFCSA-N 1 2 336.819 3.782 20 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C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000916151298 1122081181 /nfs/dbraw/zinc/08/11/81/1122081181.db2.gz FFUAZCCWMZXTJZ-ZIAGYGMSSA-N 1 2 339.395 3.541 20 5 EHBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000916151298 1122081189 /nfs/dbraw/zinc/08/11/89/1122081189.db2.gz FFUAZCCWMZXTJZ-ZIAGYGMSSA-N 1 2 339.395 3.541 20 5 EHBDLO CCOC(=O)c1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)o1 ZINC000154271732 1129545417 /nfs/dbraw/zinc/54/54/17/1129545417.db2.gz XDWUPWHPIKNSHF-UHFFFAOYSA-N 1 2 344.367 3.529 20 5 EHBDLO CCOC(=O)c1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)o1 ZINC000154271732 1129545421 /nfs/dbraw/zinc/54/54/21/1129545421.db2.gz XDWUPWHPIKNSHF-UHFFFAOYSA-N 1 2 344.367 3.529 20 5 EHBDLO Cc1[nH+]cc(CN2CCc3ccc([N+](=O)[O-])cc3C2)n1-c1ccccc1 ZINC000093338316 1129584530 /nfs/dbraw/zinc/58/45/30/1129584530.db2.gz KPRABYURTZFQNK-UHFFFAOYSA-N 1 2 348.406 3.647 20 5 EHBDLO O=[N+]([O-])c1ccc2nc(NCc3ccccc3-n3cc[nH+]c3)ccc2c1 ZINC000302617664 1129783086 /nfs/dbraw/zinc/78/30/86/1129783086.db2.gz CUPPDBZNGVEUAU-UHFFFAOYSA-N 1 2 345.362 3.941 20 5 EHBDLO CCc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000031814534 1129964347 /nfs/dbraw/zinc/96/43/47/1129964347.db2.gz XUZRPIBBIAJTOE-UHFFFAOYSA-N 1 2 336.351 3.595 20 5 EHBDLO O=[N+]([O-])c1ccc(N2CCC[C@H](n3cc[nH+]c3)C2)c(C(F)(F)F)c1 ZINC000742400843 1131725613 /nfs/dbraw/zinc/72/56/13/1131725613.db2.gz ILZBMFZQDFQLCU-LBPRGKRZSA-N 1 2 340.305 3.652 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001176874752 1133006509 /nfs/dbraw/zinc/00/65/09/1133006509.db2.gz VQXGHQQTDSJXJW-MRXNPFEDSA-N 1 2 342.395 3.603 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001176874752 1133006516 /nfs/dbraw/zinc/00/65/16/1133006516.db2.gz VQXGHQQTDSJXJW-MRXNPFEDSA-N 1 2 342.395 3.603 20 5 EHBDLO CCn1c(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])nc2ccccc21 ZINC001180707765 1133409395 /nfs/dbraw/zinc/40/93/95/1133409395.db2.gz NQVYOBSTBCMOTI-UHFFFAOYSA-N 1 2 344.802 3.908 20 5 EHBDLO Cc1[nH]c([C@@H]2CCCN2Cc2c(F)cc([N+](=O)[O-])cc2F)[nH+]c1C ZINC001197710240 1135728152 /nfs/dbraw/zinc/72/81/52/1135728152.db2.gz GGHLSZAIAKXMDS-HNNXBMFYSA-N 1 2 336.342 3.550 20 5 EHBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc(F)cn1 ZINC000811483168 1136091409 /nfs/dbraw/zinc/09/14/09/1136091409.db2.gz CUZURMBBFVOPJO-UHFFFAOYSA-N 1 2 330.146 3.726 20 5 EHBDLO O=C(Nc1ccc([N+](=O)[O-])c2ccccc12)c1cccc2[nH+]ccn21 ZINC001135226645 1136640081 /nfs/dbraw/zinc/64/00/81/1136640081.db2.gz UDLPZMMJKOABEA-UHFFFAOYSA-N 1 2 332.319 3.648 20 5 EHBDLO CC1CCC(OC2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)CC1 ZINC000338980691 1136733040 /nfs/dbraw/zinc/73/30/40/1136733040.db2.gz CSDXFBFWOLVRAD-UHFFFAOYSA-N 1 2 348.443 3.860 20 5 EHBDLO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCc3cn[nH]c32)cc(C(F)(F)F)c1 ZINC000857864303 1136915253 /nfs/dbraw/zinc/91/52/53/1136915253.db2.gz GWGPKULVBOMYJC-ZDUSSCGKSA-N 1 2 340.305 3.504 20 5 EHBDLO CO[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@H]1C ZINC000824820525 1137153734 /nfs/dbraw/zinc/15/37/34/1137153734.db2.gz HFEYCSANVGHDSD-RNCFNFMXSA-N 1 2 333.215 3.758 20 5 EHBDLO CO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@H]1C ZINC000824820525 1137153735 /nfs/dbraw/zinc/15/37/35/1137153735.db2.gz HFEYCSANVGHDSD-RNCFNFMXSA-N 1 2 333.215 3.758 20 5 EHBDLO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000339071162 1137248390 /nfs/dbraw/zinc/24/83/90/1137248390.db2.gz RRBYLCFJHKPGCA-JTQLQIEISA-N 1 2 338.310 3.753 20 5 EHBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)c1sc(C)nc1C ZINC000106875060 1137884818 /nfs/dbraw/zinc/88/48/18/1137884818.db2.gz APKZDVFAKYIWKJ-LLVKDONJSA-N 1 2 335.429 3.870 20 5 EHBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](C)c1sc(C)nc1C ZINC000106875060 1137884819 /nfs/dbraw/zinc/88/48/19/1137884819.db2.gz APKZDVFAKYIWKJ-LLVKDONJSA-N 1 2 335.429 3.870 20 5 EHBDLO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331426998 1137908079 /nfs/dbraw/zinc/90/80/79/1137908079.db2.gz FQARHERREKIQII-GFCCVEGCSA-N 1 2 342.321 3.634 20 5 EHBDLO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331426998 1137908080 /nfs/dbraw/zinc/90/80/80/1137908080.db2.gz FQARHERREKIQII-GFCCVEGCSA-N 1 2 342.321 3.634 20 5 EHBDLO COc1cc(C[NH2+]Cc2cscc2Cl)c([N+](=O)[O-])cc1OC ZINC000886198853 1138058487 /nfs/dbraw/zinc/05/84/87/1138058487.db2.gz AOZRMGDGVQYMTH-UHFFFAOYSA-N 1 2 342.804 3.617 20 5 EHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)c1ccncc1 ZINC000127583827 1138363127 /nfs/dbraw/zinc/36/31/27/1138363127.db2.gz YUYNJAJKTDFJNP-AWEZNQCLSA-N 1 2 329.400 3.970 20 5 EHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000127583827 1138363130 /nfs/dbraw/zinc/36/31/30/1138363130.db2.gz YUYNJAJKTDFJNP-AWEZNQCLSA-N 1 2 329.400 3.970 20 5 EHBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000338398603 1138890171 /nfs/dbraw/zinc/89/01/71/1138890171.db2.gz GDIORDSSTBOUAH-UHFFFAOYSA-N 1 2 329.356 3.566 20 5 EHBDLO CCC[C@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000183909204 1140064839 /nfs/dbraw/zinc/06/48/39/1140064839.db2.gz ZDTDEZZQWYJCIB-HNNXBMFYSA-N 1 2 342.399 3.575 20 5 EHBDLO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H](C)c1cccc(O)c1 ZINC000193757569 1140586980 /nfs/dbraw/zinc/58/69/80/1140586980.db2.gz FOPPDCRGVRJWDC-GFCCVEGCSA-N 1 2 345.355 3.792 20 5 EHBDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H](C)c1cccc(O)c1 ZINC000193757569 1140586985 /nfs/dbraw/zinc/58/69/85/1140586985.db2.gz FOPPDCRGVRJWDC-GFCCVEGCSA-N 1 2 345.355 3.792 20 5 EHBDLO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2nnc(C(C)C)[nH]2)cc1[N+](=O)[O-] ZINC000271451665 1141370797 /nfs/dbraw/zinc/37/07/97/1141370797.db2.gz GHGBXGWLYWWOCV-NEPJUHHUSA-N 1 2 347.419 3.647 20 5 EHBDLO COc1cc(C)[nH+]c(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000339841115 1015737514 /nfs/dbraw/zinc/73/75/14/1015737514.db2.gz KDXUAIBSPADUTJ-UHFFFAOYSA-N 1 2 329.400 3.717 20 5 EHBDLO C[C@@H](CCC(C)(C)C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000345928316 1020617259 /nfs/dbraw/zinc/61/72/59/1020617259.db2.gz NMHYUBUUDIOGJY-ZDUSSCGKSA-N 1 2 344.415 3.725 20 5 EHBDLO CCNc1cc(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)cc[nH+]1 ZINC000894870859 1021545409 /nfs/dbraw/zinc/54/54/09/1021545409.db2.gz OIIMBHKGZSCFBQ-UHFFFAOYSA-N 1 2 338.314 3.635 20 5 EHBDLO O=[N+]([O-])c1cccc(F)c1NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000341737415 1023218029 /nfs/dbraw/zinc/21/80/29/1023218029.db2.gz YUBNNMFXGPKYJT-UHFFFAOYSA-N 1 2 326.331 3.591 20 5 EHBDLO CCC(=O)c1ccc(N2CCC[C@@H]2c2[nH]c(C)c(C)[nH+]2)c([N+](=O)[O-])c1 ZINC000895193793 1026089539 /nfs/dbraw/zinc/08/95/39/1026089539.db2.gz TVROCJHVBZIWPF-OAHLLOKOSA-N 1 2 342.399 3.869 20 5 EHBDLO Cc1[nH]c2ccc(Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)cc2[nH+]1 ZINC000342642214 1026546524 /nfs/dbraw/zinc/54/65/24/1026546524.db2.gz BHLIXLOKENMPMF-UHFFFAOYSA-N 1 2 333.351 3.691 20 5 EHBDLO C[C@H]1c2ccsc2CC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000016420615 1028436342 /nfs/dbraw/zinc/43/63/42/1028436342.db2.gz ZNKWAIWACRBHHW-NSHDSACASA-N 1 2 346.408 3.642 20 5 EHBDLO C[C@H]1c2ccsc2CC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000016420615 1028436351 /nfs/dbraw/zinc/43/63/51/1028436351.db2.gz ZNKWAIWACRBHHW-NSHDSACASA-N 1 2 346.408 3.642 20 5 EHBDLO Cc1ccc(C[N@H+]2C[C@@H](c3ccccc3)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000513761746 1028874571 /nfs/dbraw/zinc/87/45/71/1028874571.db2.gz OEVMLIBODNLMKU-BEFAXECRSA-N 1 2 326.396 3.865 20 5 EHBDLO Cc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000513761746 1028874585 /nfs/dbraw/zinc/87/45/85/1028874585.db2.gz OEVMLIBODNLMKU-BEFAXECRSA-N 1 2 326.396 3.865 20 5 EHBDLO C[C@@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000060380115 1031490974 /nfs/dbraw/zinc/49/09/74/1031490974.db2.gz DPCXVMGCCFZPRT-JTQLQIEISA-N 1 2 328.294 3.558 20 5 EHBDLO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)cc1 ZINC000278602169 1031588017 /nfs/dbraw/zinc/58/80/17/1031588017.db2.gz CHARHEMQZJTWGI-INIZCTEOSA-N 1 2 338.766 3.865 20 5 EHBDLO C[C@H](c1ccco1)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000131147681 1033570540 /nfs/dbraw/zinc/57/05/40/1033570540.db2.gz DPBMTDKKPDPRGF-SNVBAGLBSA-N 1 2 326.299 3.982 20 5 EHBDLO C[C@H](c1ccco1)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000131147681 1033570550 /nfs/dbraw/zinc/57/05/50/1033570550.db2.gz DPBMTDKKPDPRGF-SNVBAGLBSA-N 1 2 326.299 3.982 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cccnc1OC(C)C ZINC000595011260 1033606229 /nfs/dbraw/zinc/60/62/29/1033606229.db2.gz KVDIMMJXLIJTEA-CYBMUJFWSA-N 1 2 345.399 3.636 20 5 EHBDLO COC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)c1ccc(C)o1 ZINC000595013912 1033608000 /nfs/dbraw/zinc/60/80/00/1033608000.db2.gz RLYPGJNLTFANIT-SWLSCSKDSA-N 1 2 334.372 3.543 20 5 EHBDLO Cc1noc(C[NH2+][C@H](C)c2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000595409332 1033786403 /nfs/dbraw/zinc/78/64/03/1033786403.db2.gz OFPIQWHJSQDQMY-MRVPVSSYSA-N 1 2 340.177 3.505 20 5 EHBDLO CC[C@H](OCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000593021991 1033838849 /nfs/dbraw/zinc/83/88/49/1033838849.db2.gz SBOOIGGDFLWHMK-IBGZPJMESA-N 1 2 341.411 3.516 20 5 EHBDLO CC[C@H](OCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000593021991 1033838860 /nfs/dbraw/zinc/83/88/60/1033838860.db2.gz SBOOIGGDFLWHMK-IBGZPJMESA-N 1 2 341.411 3.516 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000595913200 1034029366 /nfs/dbraw/zinc/02/93/66/1034029366.db2.gz CSGKLQZGAHOAET-WQGACYEGSA-N 1 2 328.359 3.709 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000595913200 1034029379 /nfs/dbraw/zinc/02/93/79/1034029379.db2.gz CSGKLQZGAHOAET-WQGACYEGSA-N 1 2 328.359 3.709 20 5 EHBDLO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000255671981 1034108650 /nfs/dbraw/zinc/10/86/50/1034108650.db2.gz IDSKDQDHBVFNDE-KMKOMSMNSA-N 1 2 334.335 3.637 20 5 EHBDLO COC(=O)c1c(Cl)c(NCc2c[nH+]c(C)cc2C)ccc1[N+](=O)[O-] ZINC000596262039 1034154759 /nfs/dbraw/zinc/15/47/59/1034154759.db2.gz LBZQXCVMQIEOPA-UHFFFAOYSA-N 1 2 349.774 3.659 20 5 EHBDLO CCC[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450589500 1034562175 /nfs/dbraw/zinc/56/21/75/1034562175.db2.gz UKRIEUHIAFCFDP-HNNXBMFYSA-N 1 2 342.399 3.575 20 5 EHBDLO CN(C)c1cc[nH+]c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 ZINC000612347473 1034823321 /nfs/dbraw/zinc/82/33/21/1034823321.db2.gz ZBDRUDUZXXWATM-UHFFFAOYSA-N 1 2 342.380 3.523 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000612578714 1035074818 /nfs/dbraw/zinc/07/48/18/1035074818.db2.gz AVZPKXZVPSRVSM-DNVCBOLYSA-N 1 2 326.396 3.865 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000612578714 1035074824 /nfs/dbraw/zinc/07/48/24/1035074824.db2.gz AVZPKXZVPSRVSM-DNVCBOLYSA-N 1 2 326.396 3.865 20 5 EHBDLO COc1cc2c(cc1F)C[N@H+](Cc1ccc([N+](=O)[O-])cc1C)CC2 ZINC000541775146 1036629607 /nfs/dbraw/zinc/62/96/07/1036629607.db2.gz TWZJVUZLGCGNPV-UHFFFAOYSA-N 1 2 330.359 3.609 20 5 EHBDLO COc1cc2c(cc1F)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)CC2 ZINC000541775146 1036629619 /nfs/dbraw/zinc/62/96/19/1036629619.db2.gz TWZJVUZLGCGNPV-UHFFFAOYSA-N 1 2 330.359 3.609 20 5 EHBDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000180521885 1036912788 /nfs/dbraw/zinc/91/27/88/1036912788.db2.gz ARXSLROVHHBQMJ-CQSZACIVSA-N 1 2 334.807 3.925 20 5 EHBDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000180521885 1036912800 /nfs/dbraw/zinc/91/28/00/1036912800.db2.gz ARXSLROVHHBQMJ-CQSZACIVSA-N 1 2 334.807 3.925 20 5 EHBDLO O=[N+]([O-])c1cncc(Cl)c1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000596190720 1037451788 /nfs/dbraw/zinc/45/17/88/1037451788.db2.gz XESDKVJAWGPOHX-UHFFFAOYSA-N 1 2 349.822 3.537 20 5 EHBDLO COc1ccc(F)cc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000462955983 1037579560 /nfs/dbraw/zinc/57/95/60/1037579560.db2.gz KYOBMDJIDOGTAU-UHFFFAOYSA-N 1 2 330.359 3.907 20 5 EHBDLO COc1ccc(F)cc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000462955983 1037579574 /nfs/dbraw/zinc/57/95/74/1037579574.db2.gz KYOBMDJIDOGTAU-UHFFFAOYSA-N 1 2 330.359 3.907 20 5 EHBDLO COc1cc(C[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)c([N+](=O)[O-])cc1OC ZINC000540552962 1038089434 /nfs/dbraw/zinc/08/94/34/1038089434.db2.gz AKXWJNNDOABSFI-SMDDNHRTSA-N 1 2 346.383 3.618 20 5 EHBDLO COc1cc(C[N@@H+]2CCc3cccc(F)c3[C@H]2C)ccc1[N+](=O)[O-] ZINC000538709468 1038483898 /nfs/dbraw/zinc/48/38/98/1038483898.db2.gz SJCPQAWYLWEBBR-GFCCVEGCSA-N 1 2 330.359 3.862 20 5 EHBDLO COc1cc(C[N@H+]2CCc3cccc(F)c3[C@H]2C)ccc1[N+](=O)[O-] ZINC000538709468 1038483902 /nfs/dbraw/zinc/48/39/02/1038483902.db2.gz SJCPQAWYLWEBBR-GFCCVEGCSA-N 1 2 330.359 3.862 20 5 EHBDLO COc1ccc(OC)c(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000027604002 1040718273 /nfs/dbraw/zinc/71/82/73/1040718273.db2.gz XTPRFDGMSZPRBM-UHFFFAOYSA-N 1 2 342.395 3.777 20 5 EHBDLO COc1ccc(OC)c(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000027604002 1040718293 /nfs/dbraw/zinc/71/82/93/1040718293.db2.gz XTPRFDGMSZPRBM-UHFFFAOYSA-N 1 2 342.395 3.777 20 5 EHBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)c(F)c1 ZINC000586763188 1041003656 /nfs/dbraw/zinc/00/36/56/1041003656.db2.gz APLAWYSPFKLWEK-SFHVURJKSA-N 1 2 348.349 3.837 20 5 EHBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCCO[C@H](c3ccccc3)C2)c(F)c1 ZINC000586763188 1041003670 /nfs/dbraw/zinc/00/36/70/1041003670.db2.gz APLAWYSPFKLWEK-SFHVURJKSA-N 1 2 348.349 3.837 20 5 EHBDLO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1nccn1C ZINC000279468618 1044122516 /nfs/dbraw/zinc/12/25/16/1044122516.db2.gz JUCSIUCNBJMCRT-ZDUSSCGKSA-N 1 2 342.321 3.588 20 5 EHBDLO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(Br)cn1 ZINC000279869028 1044774017 /nfs/dbraw/zinc/77/40/17/1044774017.db2.gz TUTCUQMHWYBZHE-QMMMGPOBSA-N 1 2 342.218 3.665 20 5 EHBDLO C[C@H](c1cccnc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000301301627 1127735391 /nfs/dbraw/zinc/73/53/91/1127735391.db2.gz RJYMSMJCNXTHIO-CYBMUJFWSA-N 1 2 346.818 3.526 20 5 EHBDLO Cc1cc(C)c(CNC(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)c[nH+]1 ZINC000888281174 1121523056 /nfs/dbraw/zinc/52/30/56/1121523056.db2.gz PKYYQPSNILYAQO-UHFFFAOYSA-N 1 2 348.790 3.890 20 5 EHBDLO CCn1ccc(C[N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000616786440 1124034401 /nfs/dbraw/zinc/03/44/01/1124034401.db2.gz ZBRNUZAURCLARP-UHFFFAOYSA-N 1 2 340.383 3.703 20 5 EHBDLO CCn1ccc(C[N@@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000616786440 1124034405 /nfs/dbraw/zinc/03/44/05/1124034405.db2.gz ZBRNUZAURCLARP-UHFFFAOYSA-N 1 2 340.383 3.703 20 5 EHBDLO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1COc3cc(F)cc(F)c31)CCC2 ZINC000618575535 1125121576 /nfs/dbraw/zinc/12/15/76/1125121576.db2.gz OZIYUKNTMKMPPT-HZPDHXFCSA-N 1 2 346.333 3.974 20 5 EHBDLO COC[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccco1 ZINC000080239745 1129339508 /nfs/dbraw/zinc/33/95/08/1129339508.db2.gz RFWBMLAWOOYRMT-MRXNPFEDSA-N 1 2 342.351 3.925 20 5 EHBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000428852348 1129532437 /nfs/dbraw/zinc/53/24/37/1129532437.db2.gz SXZAIJOVEDTEAD-UHFFFAOYSA-N 1 2 347.371 3.642 20 5 EHBDLO Cc1ccc(-c2noc(-c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)n2)cc1 ZINC000733738891 1131073505 /nfs/dbraw/zinc/07/35/05/1131073505.db2.gz XHGULYPVURXUOR-UHFFFAOYSA-N 1 2 347.334 3.806 20 5 EHBDLO CC[N@H+](C)[C@H](C(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000745101597 1132193532 /nfs/dbraw/zinc/19/35/32/1132193532.db2.gz RBWWHEWPBKTPEN-KDOFPFPSSA-N 1 2 342.395 3.892 20 5 EHBDLO CC[N@@H+](C)[C@H](C(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000745101597 1132193535 /nfs/dbraw/zinc/19/35/35/1132193535.db2.gz RBWWHEWPBKTPEN-KDOFPFPSSA-N 1 2 342.395 3.892 20 5 EHBDLO O=[N+]([O-])c1ccc(Cl)cc1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000804339742 1132862053 /nfs/dbraw/zinc/86/20/53/1132862053.db2.gz LFIBFLJUNXFJDY-UHFFFAOYSA-N 1 2 332.791 3.856 20 5 EHBDLO C[C@@H]1SCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])[C@H]1C ZINC000769446766 1133291828 /nfs/dbraw/zinc/29/18/28/1133291828.db2.gz OYSLXZFLDQWOOL-UWVGGRQHSA-N 1 2 345.262 3.683 20 5 EHBDLO C[C@@H]1SCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])[C@H]1C ZINC000769446766 1133291831 /nfs/dbraw/zinc/29/18/31/1133291831.db2.gz OYSLXZFLDQWOOL-UWVGGRQHSA-N 1 2 345.262 3.683 20 5 EHBDLO Cc1ccc(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000872091158 1137570727 /nfs/dbraw/zinc/57/07/27/1137570727.db2.gz FYOYACKKIUHXPN-LLVKDONJSA-N 1 2 333.319 3.801 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000338196233 1138783533 /nfs/dbraw/zinc/78/35/33/1138783533.db2.gz NOKBSUOHIPIUID-RDTXWAMCSA-N 1 2 342.395 3.558 20 5 EHBDLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000338277725 1138812834 /nfs/dbraw/zinc/81/28/34/1138812834.db2.gz CPPLDMZMZWRMHQ-UHFFFAOYSA-N 1 2 348.318 3.779 20 5 EHBDLO CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1nnc2n1CCCCC2 ZINC000266838993 1140727790 /nfs/dbraw/zinc/72/77/90/1140727790.db2.gz GGBBYGCSVIDVAA-XJKSGUPXSA-N 1 2 343.431 3.715 20 5 EHBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCCc3cn[nH]c32)o1 ZINC000268844529 1141006650 /nfs/dbraw/zinc/00/66/50/1141006650.db2.gz OJFSSHVTPVUQDJ-OAHLLOKOSA-N 1 2 338.367 3.745 20 5 EHBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCCc3c[nH]nc32)o1 ZINC000268844529 1141006654 /nfs/dbraw/zinc/00/66/54/1141006654.db2.gz OJFSSHVTPVUQDJ-OAHLLOKOSA-N 1 2 338.367 3.745 20 5 EHBDLO Cc1c([C@@H](C)[NH2+][C@H](CO)c2c(F)cccc2F)cccc1[N+](=O)[O-] ZINC000271550163 1141394872 /nfs/dbraw/zinc/39/48/72/1141394872.db2.gz ZUVBJQJLWMZJHL-IAQYHMDHSA-N 1 2 336.338 3.566 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000430216202 1015041404 /nfs/dbraw/zinc/04/14/04/1015041404.db2.gz FBQYACYSFZLKOF-UHFFFAOYSA-N 1 2 334.416 3.529 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC2(C1)CCCCCC2 ZINC000430216202 1015041419 /nfs/dbraw/zinc/04/14/19/1015041419.db2.gz FBQYACYSFZLKOF-UHFFFAOYSA-N 1 2 334.416 3.529 20 5 EHBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2cccc(F)c2F)CC1 ZINC000609672074 1015825142 /nfs/dbraw/zinc/82/51/42/1015825142.db2.gz XFYAPYKMTSTNMN-ZDUSSCGKSA-N 1 2 347.365 3.756 20 5 EHBDLO CC(=O)c1ccc(Nc2ccc(N3CCCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000023618684 1017194806 /nfs/dbraw/zinc/19/48/06/1017194806.db2.gz IOCMRTRCLXCFFE-UHFFFAOYSA-N 1 2 326.356 3.536 20 5 EHBDLO CC[C@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000610420481 1019021743 /nfs/dbraw/zinc/02/17/43/1019021743.db2.gz VCLSYLOLPCMMRS-HIFRSBDPSA-N 1 2 343.431 3.715 20 5 EHBDLO CC[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000610420482 1019023553 /nfs/dbraw/zinc/02/35/53/1019023553.db2.gz VCLSYLOLPCMMRS-UKRRQHHQSA-N 1 2 343.431 3.715 20 5 EHBDLO CCCCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H](C)CC ZINC000073287959 1019065850 /nfs/dbraw/zinc/06/58/50/1019065850.db2.gz FCSWURKEOGAVJE-AWEZNQCLSA-N 1 2 344.415 3.821 20 5 EHBDLO Cc1ccc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000518356956 1023257138 /nfs/dbraw/zinc/25/71/38/1023257138.db2.gz FZNUUIWXQLPVCK-INIZCTEOSA-N 1 2 347.802 3.798 20 5 EHBDLO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)[nH]1 ZINC000277063909 1023739008 /nfs/dbraw/zinc/73/90/08/1023739008.db2.gz DKUNCSMVPZQMBA-DRZSPHRISA-N 1 2 331.420 3.947 20 5 EHBDLO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000892051521 1024484205 /nfs/dbraw/zinc/48/42/05/1024484205.db2.gz DGFRDTVPTYGACR-UHFFFAOYSA-N 1 2 328.416 3.547 20 5 EHBDLO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000892051521 1024484217 /nfs/dbraw/zinc/48/42/17/1024484217.db2.gz DGFRDTVPTYGACR-UHFFFAOYSA-N 1 2 328.416 3.547 20 5 EHBDLO C[N@H+](Cc1cccc(F)c1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000505604060 1024612155 /nfs/dbraw/zinc/61/21/55/1024612155.db2.gz DFBCKWPHZQHAAY-UHFFFAOYSA-N 1 2 340.301 3.967 20 5 EHBDLO C[N@@H+](Cc1cccc(F)c1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000505604060 1024612163 /nfs/dbraw/zinc/61/21/63/1024612163.db2.gz DFBCKWPHZQHAAY-UHFFFAOYSA-N 1 2 340.301 3.967 20 5 EHBDLO O=[N+]([O-])c1ccc(OCCCSc2[nH+]cc3ccccn32)cc1 ZINC000071971152 1025039616 /nfs/dbraw/zinc/03/96/16/1025039616.db2.gz WPRHQUYIIDVEDY-UHFFFAOYSA-N 1 2 329.381 3.804 20 5 EHBDLO COc1ccc(CNc2cc[nH+]c3c(OC)cccc23)cc1[N+](=O)[O-] ZINC000436185034 1025437738 /nfs/dbraw/zinc/43/77/38/1025437738.db2.gz FQVVMYQKMRMWOD-UHFFFAOYSA-N 1 2 339.351 3.772 20 5 EHBDLO COc1cc(C[N@@H+]2CC3(CCC3)[C@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000451849384 1026322550 /nfs/dbraw/zinc/32/25/50/1026322550.db2.gz HKQPDCULZOCJGI-QGZVFWFLSA-N 1 2 328.368 3.924 20 5 EHBDLO COc1cc(C[N@H+]2CC3(CCC3)[C@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000451849384 1026322564 /nfs/dbraw/zinc/32/25/64/1026322564.db2.gz HKQPDCULZOCJGI-QGZVFWFLSA-N 1 2 328.368 3.924 20 5 EHBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CCC(C(F)(F)F)CC1 ZINC000339206773 1026438749 /nfs/dbraw/zinc/43/87/49/1026438749.db2.gz YOCGDVBSWDIASG-UHFFFAOYSA-N 1 2 332.322 3.853 20 5 EHBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CCC(C(F)(F)F)CC1 ZINC000339206773 1026438752 /nfs/dbraw/zinc/43/87/52/1026438752.db2.gz YOCGDVBSWDIASG-UHFFFAOYSA-N 1 2 332.322 3.853 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)cs1 ZINC000077381919 1026870331 /nfs/dbraw/zinc/87/03/31/1026870331.db2.gz YOESIDHPTKXVMP-ZDUSSCGKSA-N 1 2 332.381 3.722 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)cs1 ZINC000077381919 1026870334 /nfs/dbraw/zinc/87/03/34/1026870334.db2.gz YOESIDHPTKXVMP-ZDUSSCGKSA-N 1 2 332.381 3.722 20 5 EHBDLO Cc1ccc([C@@H](C)[NH2+][C@H]2COc3cc(F)cc(F)c32)cc1[N+](=O)[O-] ZINC000612422597 1028088003 /nfs/dbraw/zinc/08/80/03/1028088003.db2.gz CYCYHCMXTRGMKF-YGRLFVJLSA-N 1 2 334.322 3.966 20 5 EHBDLO CCc1ccccc1NC(=O)C[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000016420169 1028435845 /nfs/dbraw/zinc/43/58/45/1028435845.db2.gz YWYXSFCHLLAULE-CQSZACIVSA-N 1 2 341.411 3.789 20 5 EHBDLO CCc1ccccc1NC(=O)C[N@@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000016420169 1028435858 /nfs/dbraw/zinc/43/58/58/1028435858.db2.gz YWYXSFCHLLAULE-CQSZACIVSA-N 1 2 341.411 3.789 20 5 EHBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC000502732037 1028616185 /nfs/dbraw/zinc/61/61/85/1028616185.db2.gz IFFLSCMEVPNPDY-OAHLLOKOSA-N 1 2 343.402 3.613 20 5 EHBDLO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000502732037 1028616191 /nfs/dbraw/zinc/61/61/91/1028616191.db2.gz IFFLSCMEVPNPDY-OAHLLOKOSA-N 1 2 343.402 3.613 20 5 EHBDLO COC(=O)c1cnc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)s1 ZINC000424337775 1028991894 /nfs/dbraw/zinc/99/18/94/1028991894.db2.gz ZXYBARXIMGUDGB-MNOVXSKESA-N 1 2 349.412 3.558 20 5 EHBDLO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000525786186 1030124668 /nfs/dbraw/zinc/12/46/68/1030124668.db2.gz UYJUEEZOVWQCJV-BEFAXECRSA-N 1 2 326.396 3.865 20 5 EHBDLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000525786186 1030124673 /nfs/dbraw/zinc/12/46/73/1030124673.db2.gz UYJUEEZOVWQCJV-BEFAXECRSA-N 1 2 326.396 3.865 20 5 EHBDLO CCc1ccc([C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)CCO2)cc1 ZINC000483428817 1031161766 /nfs/dbraw/zinc/16/17/66/1031161766.db2.gz PBNCUKHPGFPPGO-IBGZPJMESA-N 1 2 326.396 3.731 20 5 EHBDLO CCc1ccc([C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)CCO2)cc1 ZINC000483428817 1031161770 /nfs/dbraw/zinc/16/17/70/1031161770.db2.gz PBNCUKHPGFPPGO-IBGZPJMESA-N 1 2 326.396 3.731 20 5 EHBDLO CC(C)OC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000536647692 1032056275 /nfs/dbraw/zinc/05/62/75/1032056275.db2.gz IYYROASEUJVKNU-UHFFFAOYSA-N 1 2 344.358 3.586 20 5 EHBDLO C[C@@H](c1ccco1)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000131147473 1033568587 /nfs/dbraw/zinc/56/85/87/1033568587.db2.gz DPBMTDKKPDPRGF-JTQLQIEISA-N 1 2 326.299 3.982 20 5 EHBDLO C[C@@H](c1ccco1)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000131147473 1033568599 /nfs/dbraw/zinc/56/85/99/1033568599.db2.gz DPBMTDKKPDPRGF-JTQLQIEISA-N 1 2 326.299 3.982 20 5 EHBDLO C[C@H](O)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1F ZINC000593659839 1033636098 /nfs/dbraw/zinc/63/60/98/1033636098.db2.gz WMRBCVVRMWAROS-MGPLVRAMSA-N 1 2 338.766 3.599 20 5 EHBDLO C/C(=C\C(=O)Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000783862028 1033697397 /nfs/dbraw/zinc/69/73/97/1033697397.db2.gz CPXRJPQXRJDMJZ-WYMLVPIESA-N 1 2 348.362 3.823 20 5 EHBDLO Cc1noc(C[N@H+]2CC=C(c3cc(C)cc(C)c3)CC2)c1[N+](=O)[O-] ZINC000595407750 1033786226 /nfs/dbraw/zinc/78/62/26/1033786226.db2.gz KUKHFFCKRKMHCR-UHFFFAOYSA-N 1 2 327.384 3.797 20 5 EHBDLO Cc1noc(C[N@@H+]2CC=C(c3cc(C)cc(C)c3)CC2)c1[N+](=O)[O-] ZINC000595407750 1033786238 /nfs/dbraw/zinc/78/62/38/1033786238.db2.gz KUKHFFCKRKMHCR-UHFFFAOYSA-N 1 2 327.384 3.797 20 5 EHBDLO Cn1ncc2c1CC(C)(C)C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000596598081 1034312540 /nfs/dbraw/zinc/31/25/40/1034312540.db2.gz ACCNPHDOFIALJL-UHFFFAOYSA-N 1 2 348.834 3.566 20 5 EHBDLO Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000596598081 1034312548 /nfs/dbraw/zinc/31/25/48/1034312548.db2.gz ACCNPHDOFIALJL-UHFFFAOYSA-N 1 2 348.834 3.566 20 5 EHBDLO CC1(C)C[C@H]([NH2+]Cc2nnc(C3CC3)s2)c2cc([N+](=O)[O-])ccc21 ZINC000414327620 1036695157 /nfs/dbraw/zinc/69/51/57/1036695157.db2.gz OYTVQHVTACQQCJ-AWEZNQCLSA-N 1 2 344.440 3.836 20 5 EHBDLO CCC[C@@H]([NH2+]Cc1nnc(C2CC2)s1)c1cccc([N+](=O)[O-])c1 ZINC000414331228 1036716997 /nfs/dbraw/zinc/71/69/97/1036716997.db2.gz SRILAUDRHORKCB-CQSZACIVSA-N 1 2 332.429 3.955 20 5 EHBDLO COc1cc(Nc2ccc(N3CCCCC3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000462931765 1037557816 /nfs/dbraw/zinc/55/78/16/1037557816.db2.gz OXFZXMYPBOCFBY-UHFFFAOYSA-N 1 2 328.372 3.732 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CO)c1c(F)cccc1F ZINC000540184150 1037666141 /nfs/dbraw/zinc/66/61/41/1037666141.db2.gz YAPYKFMKDRTDHZ-MEDUHNTESA-N 1 2 336.338 3.566 20 5 EHBDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000066808179 1038568626 /nfs/dbraw/zinc/56/86/26/1038568626.db2.gz HWLVOOWUVJJSOS-CYBMUJFWSA-N 1 2 346.818 3.526 20 5 EHBDLO CC[N@H+](CCC(F)(F)F)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728900303 1043795676 /nfs/dbraw/zinc/79/56/76/1043795676.db2.gz GOZRNWDWZHCJCJ-UHFFFAOYSA-N 1 2 342.321 3.690 20 5 EHBDLO CC[N@@H+](CCC(F)(F)F)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728900303 1043795683 /nfs/dbraw/zinc/79/56/83/1043795683.db2.gz GOZRNWDWZHCJCJ-UHFFFAOYSA-N 1 2 342.321 3.690 20 5 EHBDLO CC(C)c1nnc(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)s1 ZINC000344629563 1044215288 /nfs/dbraw/zinc/21/52/88/1044215288.db2.gz KVJBRWJUBWGPGV-UHFFFAOYSA-N 1 2 334.445 3.983 20 5 EHBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2Cc3ccc(Br)cc3C2)cc1 ZINC000765057060 1127568045 /nfs/dbraw/zinc/56/80/45/1127568045.db2.gz YJQVIQUGUYZVGB-UHFFFAOYSA-N 1 2 347.212 3.916 20 5 EHBDLO O=[N+]([O-])c1ccc(CC[N@H+]2Cc3ccc(Br)cc3C2)cc1 ZINC000765057060 1127568048 /nfs/dbraw/zinc/56/80/48/1127568048.db2.gz YJQVIQUGUYZVGB-UHFFFAOYSA-N 1 2 347.212 3.916 20 5 EHBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000075623430 1128353006 /nfs/dbraw/zinc/35/30/06/1128353006.db2.gz XSIYMBKXNJDVLS-UGSOOPFHSA-N 1 2 330.359 3.868 20 5 EHBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000075623430 1128353009 /nfs/dbraw/zinc/35/30/09/1128353009.db2.gz XSIYMBKXNJDVLS-UGSOOPFHSA-N 1 2 330.359 3.868 20 5 EHBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000112978607 1128963717 /nfs/dbraw/zinc/96/37/17/1128963717.db2.gz VBAPUWUWDKHYCF-UHFFFAOYSA-N 1 2 330.359 3.852 20 5 EHBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000112978607 1128963721 /nfs/dbraw/zinc/96/37/21/1128963721.db2.gz VBAPUWUWDKHYCF-UHFFFAOYSA-N 1 2 330.359 3.852 20 5 EHBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000916151295 1122080786 /nfs/dbraw/zinc/08/07/86/1122080786.db2.gz FFUAZCCWMZXTJZ-KBPBESRZSA-N 1 2 339.395 3.541 20 5 EHBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000916151295 1122080791 /nfs/dbraw/zinc/08/07/91/1122080791.db2.gz FFUAZCCWMZXTJZ-KBPBESRZSA-N 1 2 339.395 3.541 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCc3cccc(Br)c3C2)cc1 ZINC000735672916 1131371847 /nfs/dbraw/zinc/37/18/47/1131371847.db2.gz ZLKXDNQNWCHFQR-UHFFFAOYSA-N 1 2 347.212 3.916 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCc3cccc(Br)c3C2)cc1 ZINC000735672916 1131371850 /nfs/dbraw/zinc/37/18/50/1131371850.db2.gz ZLKXDNQNWCHFQR-UHFFFAOYSA-N 1 2 347.212 3.916 20 5 EHBDLO C[C@@H](CCO)[N@H+](Cc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000093311007 1129584152 /nfs/dbraw/zinc/58/41/52/1129584152.db2.gz KFZUVFBORBLEIM-AWEZNQCLSA-N 1 2 332.375 3.507 20 5 EHBDLO C[C@@H](CCO)[N@@H+](Cc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000093311007 1129584153 /nfs/dbraw/zinc/58/41/53/1129584153.db2.gz KFZUVFBORBLEIM-AWEZNQCLSA-N 1 2 332.375 3.507 20 5 EHBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000171615056 1130073786 /nfs/dbraw/zinc/07/37/86/1130073786.db2.gz NBXPWMLMRQGQKT-UHFFFAOYSA-N 1 2 328.343 3.729 20 5 EHBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000171615056 1130073790 /nfs/dbraw/zinc/07/37/90/1130073790.db2.gz NBXPWMLMRQGQKT-UHFFFAOYSA-N 1 2 328.343 3.729 20 5 EHBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC001173230778 1132009189 /nfs/dbraw/zinc/00/91/89/1132009189.db2.gz FWQCXBRNABHRNH-HNNXBMFYSA-N 1 2 348.406 3.727 20 5 EHBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC001173230778 1132009193 /nfs/dbraw/zinc/00/91/93/1132009193.db2.gz FWQCXBRNABHRNH-HNNXBMFYSA-N 1 2 348.406 3.727 20 5 EHBDLO CC[N@H+](C)[C@H](C(=O)OCc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000745098706 1132194320 /nfs/dbraw/zinc/19/43/20/1132194320.db2.gz VCNGSCJZYQBRFQ-SFHVURJKSA-N 1 2 342.395 3.639 20 5 EHBDLO CC[N@@H+](C)[C@H](C(=O)OCc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000745098706 1132194322 /nfs/dbraw/zinc/19/43/22/1132194322.db2.gz VCNGSCJZYQBRFQ-SFHVURJKSA-N 1 2 342.395 3.639 20 5 EHBDLO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000769446768 1133292889 /nfs/dbraw/zinc/29/28/89/1133292889.db2.gz OYSLXZFLDQWOOL-ZJUUUORDSA-N 1 2 345.262 3.683 20 5 EHBDLO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000769446768 1133292894 /nfs/dbraw/zinc/29/28/94/1133292894.db2.gz OYSLXZFLDQWOOL-ZJUUUORDSA-N 1 2 345.262 3.683 20 5 EHBDLO CCn1c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)nc2ccccc21 ZINC001180708287 1133409657 /nfs/dbraw/zinc/40/96/57/1133409657.db2.gz RNGUZOBAGQRMLL-UHFFFAOYSA-N 1 2 344.802 3.908 20 5 EHBDLO O=[N+]([O-])c1cc(CO)c(Nc2ccc([NH+]3CCCCC3)cc2)cc1F ZINC001184598439 1133963378 /nfs/dbraw/zinc/96/33/78/1133963378.db2.gz FLBLEEQEQAJENU-UHFFFAOYSA-N 1 2 345.374 3.960 20 5 EHBDLO CCc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000774819957 1134032380 /nfs/dbraw/zinc/03/23/80/1134032380.db2.gz GEYMXYAELVZQCT-UHFFFAOYSA-N 1 2 329.356 3.697 20 5 EHBDLO CCc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000774819957 1134032386 /nfs/dbraw/zinc/03/23/86/1134032386.db2.gz GEYMXYAELVZQCT-UHFFFAOYSA-N 1 2 329.356 3.697 20 5 EHBDLO Cc1cc(OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2[nH+]1 ZINC000789591003 1134299625 /nfs/dbraw/zinc/29/96/25/1134299625.db2.gz KIHDESHTMRGOSC-UHFFFAOYSA-N 1 2 339.307 3.939 20 5 EHBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000809969656 1135904885 /nfs/dbraw/zinc/90/48/85/1135904885.db2.gz ZOGYDKFHILEFCK-SSDOTTSWSA-N 1 2 325.142 3.989 20 5 EHBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000809969656 1135904886 /nfs/dbraw/zinc/90/48/86/1135904886.db2.gz ZOGYDKFHILEFCK-SSDOTTSWSA-N 1 2 325.142 3.989 20 5 EHBDLO CN(C)c1ccc(NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[nH+]c1 ZINC000811484504 1136092370 /nfs/dbraw/zinc/09/23/70/1136092370.db2.gz ZPEQZNABKJFYBB-UHFFFAOYSA-N 1 2 341.198 3.975 20 5 EHBDLO O=[N+]([O-])c1ccc(Br)cc1NCc1ccn2cc[nH+]c2c1 ZINC000811817254 1136144931 /nfs/dbraw/zinc/14/49/31/1136144931.db2.gz QXGQRPQVUACHGC-UHFFFAOYSA-N 1 2 347.172 3.617 20 5 EHBDLO O=[N+]([O-])c1cc(-c2nc(-c3ccsc3)no2)ccc1-n1cc[nH+]c1 ZINC000109476484 1136296536 /nfs/dbraw/zinc/29/65/36/1136296536.db2.gz RWNOFCGUQKNUFB-UHFFFAOYSA-N 1 2 339.336 3.559 20 5 EHBDLO CO[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@@H]1C ZINC000824820527 1137153697 /nfs/dbraw/zinc/15/36/97/1137153697.db2.gz HFEYCSANVGHDSD-ZANVPECISA-N 1 2 333.215 3.758 20 5 EHBDLO CO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@@H]1C ZINC000824820527 1137153698 /nfs/dbraw/zinc/15/36/98/1137153698.db2.gz HFEYCSANVGHDSD-ZANVPECISA-N 1 2 333.215 3.758 20 5 EHBDLO C[C@@H]([NH2+]Cc1ncc(Br)s1)c1cccc([N+](=O)[O-])c1 ZINC000714068545 1137471803 /nfs/dbraw/zinc/47/18/03/1137471803.db2.gz TVHKUXRCXOXYAN-MRVPVSSYSA-N 1 2 342.218 3.665 20 5 EHBDLO C[C@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872089330 1137570688 /nfs/dbraw/zinc/57/06/88/1137570688.db2.gz XAUKWRRHEHLVDH-NSHDSACASA-N 1 2 332.379 3.586 20 5 EHBDLO C[C@H](c1cccs1)[N@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000877971338 1137697667 /nfs/dbraw/zinc/69/76/67/1137697667.db2.gz VRQMNZXZBWPOMA-LLVKDONJSA-N 1 2 344.396 3.899 20 5 EHBDLO C[C@H](c1cccs1)[N@@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000877971338 1137697668 /nfs/dbraw/zinc/69/76/68/1137697668.db2.gz VRQMNZXZBWPOMA-LLVKDONJSA-N 1 2 344.396 3.899 20 5 EHBDLO CCC[C@@H]([NH2+]C1(c2ncccn2)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000883314028 1137854167 /nfs/dbraw/zinc/85/41/67/1137854167.db2.gz SXDMVOTZHBFBRS-MRXNPFEDSA-N 1 2 326.400 3.895 20 5 EHBDLO COc1ccc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2F)cc1[N+](=O)[O-] ZINC000883383380 1137858526 /nfs/dbraw/zinc/85/85/26/1137858526.db2.gz XKPDHMHZLKMNMT-YJBOKZPZSA-N 1 2 330.359 3.719 20 5 EHBDLO C[N@H+](Cc1ccc(C(F)(F)F)cc1)Cc1cccnc1[N+](=O)[O-] ZINC000885933211 1138026308 /nfs/dbraw/zinc/02/63/08/1138026308.db2.gz NXBKJBRKKWXRHP-UHFFFAOYSA-N 1 2 325.290 3.641 20 5 EHBDLO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1cccnc1[N+](=O)[O-] ZINC000885933211 1138026311 /nfs/dbraw/zinc/02/63/11/1138026311.db2.gz NXBKJBRKKWXRHP-UHFFFAOYSA-N 1 2 325.290 3.641 20 5 EHBDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000175410711 1139489287 /nfs/dbraw/zinc/48/92/87/1139489287.db2.gz HZKPQBBQDVNODM-ZAMGYDSWSA-N 1 2 332.425 3.525 20 5 EHBDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000175410711 1139489291 /nfs/dbraw/zinc/48/92/91/1139489291.db2.gz HZKPQBBQDVNODM-ZAMGYDSWSA-N 1 2 332.425 3.525 20 5 EHBDLO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3CCCc4cn[nH]c43)o2)c1 ZINC000268861397 1141011044 /nfs/dbraw/zinc/01/10/44/1141011044.db2.gz SEZQRQRNEWZPQY-MRXNPFEDSA-N 1 2 338.367 3.745 20 5 EHBDLO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2nnc(C)s2)cc1[N+](=O)[O-] ZINC000274274160 1141491997 /nfs/dbraw/zinc/49/19/97/1141491997.db2.gz XFIKCPJFZLZEIW-UWVGGRQHSA-N 1 2 336.417 3.565 20 5 EHBDLO CC[C@@H]([NH2+]Cc1csc([C@@H](C)OC)n1)c1cccc([N+](=O)[O-])c1 ZINC000165259619 1015819085 /nfs/dbraw/zinc/81/90/85/1015819085.db2.gz AWNJHYNISQSHGI-IAQYHMDHSA-N 1 2 335.429 4.000 20 5 EHBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc(F)c(F)c1 ZINC000083133818 1016354800 /nfs/dbraw/zinc/35/48/00/1016354800.db2.gz LTJDOAWMFUHADT-UHFFFAOYSA-N 1 2 333.294 3.646 20 5 EHBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc(F)c(F)c1 ZINC000083133818 1016354809 /nfs/dbraw/zinc/35/48/09/1016354809.db2.gz LTJDOAWMFUHADT-UHFFFAOYSA-N 1 2 333.294 3.646 20 5 EHBDLO Cc1csc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000278745233 1032282345 /nfs/dbraw/zinc/28/23/45/1032282345.db2.gz MTUSWAXLBAYSPE-UHFFFAOYSA-N 1 2 331.319 3.668 20 5 EHBDLO CC1(C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC2(CCCC2)O1 ZINC000190954990 1032423136 /nfs/dbraw/zinc/42/31/36/1032423136.db2.gz MOXJNZIWMLVVMP-UHFFFAOYSA-N 1 2 345.399 3.660 20 5 EHBDLO CC1(C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC2(CCCC2)O1 ZINC000190954990 1032423143 /nfs/dbraw/zinc/42/31/43/1032423143.db2.gz MOXJNZIWMLVVMP-UHFFFAOYSA-N 1 2 345.399 3.660 20 5 EHBDLO C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)c2nccn21 ZINC000449568897 1032822719 /nfs/dbraw/zinc/82/27/19/1032822719.db2.gz DVRXBOGFYDHGEV-SWLSCSKDSA-N 1 2 338.367 3.847 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1 ZINC000182622644 1019716128 /nfs/dbraw/zinc/71/61/28/1019716128.db2.gz LBRFYZVMPXEIGU-AWEZNQCLSA-N 1 2 327.384 3.535 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000182622644 1019716147 /nfs/dbraw/zinc/71/61/47/1019716147.db2.gz LBRFYZVMPXEIGU-AWEZNQCLSA-N 1 2 327.384 3.535 20 5 EHBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)c(F)c1 ZINC000449584672 1032852302 /nfs/dbraw/zinc/85/23/02/1032852302.db2.gz JWGGRBQCFRPKDJ-ZDUSSCGKSA-N 1 2 340.276 3.928 20 5 EHBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000126732663 1021295354 /nfs/dbraw/zinc/29/53/54/1021295354.db2.gz LPJNQLNJZUCCJG-FZKQIMNGSA-N 1 2 330.359 3.696 20 5 EHBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000126732663 1021295360 /nfs/dbraw/zinc/29/53/60/1021295360.db2.gz LPJNQLNJZUCCJG-FZKQIMNGSA-N 1 2 330.359 3.696 20 5 EHBDLO CC(C)([NH2+][C@H](c1nnc[nH]1)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000602611881 1033027495 /nfs/dbraw/zinc/02/74/95/1033027495.db2.gz MGTURRKXHWAKMT-INIZCTEOSA-N 1 2 343.431 3.859 20 5 EHBDLO O=[N+]([O-])c1cnc(N2CCC(Nc3cccc[nH+]3)CC2)c2ccccc21 ZINC000895347919 1024352110 /nfs/dbraw/zinc/35/21/10/1024352110.db2.gz VPESRHZDOCZOCS-UHFFFAOYSA-N 1 2 349.394 3.619 20 5 EHBDLO C[C@@H](CNc1c(Cl)cc(Cl)cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000347076831 1025497543 /nfs/dbraw/zinc/49/75/43/1025497543.db2.gz CNXXBGYVGNJTQC-VIFPVBQESA-N 1 2 329.187 3.846 20 5 EHBDLO COc1c(C)cnc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2C)c1C ZINC000451379880 1025880687 /nfs/dbraw/zinc/88/06/87/1025880687.db2.gz WCIQQDYOGDFGKS-UHFFFAOYSA-N 1 2 329.400 3.556 20 5 EHBDLO COc1c(C)cnc(C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2C)c1C ZINC000451379880 1025880704 /nfs/dbraw/zinc/88/07/04/1025880704.db2.gz WCIQQDYOGDFGKS-UHFFFAOYSA-N 1 2 329.400 3.556 20 5 EHBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000531452635 1026946850 /nfs/dbraw/zinc/94/68/50/1026946850.db2.gz GOOLSZHICQDQOW-OAHLLOKOSA-N 1 2 348.406 3.900 20 5 EHBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000531452635 1026946856 /nfs/dbraw/zinc/94/68/56/1026946856.db2.gz GOOLSZHICQDQOW-OAHLLOKOSA-N 1 2 348.406 3.900 20 5 EHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000536629525 1028032561 /nfs/dbraw/zinc/03/25/61/1028032561.db2.gz ZMUAFWWLLUCRMK-QGZVFWFLSA-N 1 2 327.384 3.726 20 5 EHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000536629525 1028032581 /nfs/dbraw/zinc/03/25/81/1028032581.db2.gz ZMUAFWWLLUCRMK-QGZVFWFLSA-N 1 2 327.384 3.726 20 5 EHBDLO Cc1cnc(NCc2cc[nH+]c(N3CCCCCC3)c2)c([N+](=O)[O-])c1 ZINC000078660696 1028069749 /nfs/dbraw/zinc/06/97/49/1028069749.db2.gz XBHTULNPGIRJGR-UHFFFAOYSA-N 1 2 341.415 3.686 20 5 EHBDLO O=[N+]([O-])c1ccc(NCc2ccccc2-n2cc[nH+]c2)c2ncccc12 ZINC000091506322 1028264551 /nfs/dbraw/zinc/26/45/51/1028264551.db2.gz LMMJLZSFOMBUFB-UHFFFAOYSA-N 1 2 345.362 3.941 20 5 EHBDLO O=[N+]([O-])c1cc(Cl)cnc1NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000153595237 1028271616 /nfs/dbraw/zinc/27/16/16/1028271616.db2.gz BYQCUXAXGIOWJL-UHFFFAOYSA-N 1 2 343.774 3.500 20 5 EHBDLO COC(=O)[C@H](C)[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C1CCC1 ZINC000483437294 1031168547 /nfs/dbraw/zinc/16/85/47/1031168547.db2.gz IGHFETDQZNGVJD-ZDUSSCGKSA-N 1 2 334.416 3.634 20 5 EHBDLO COC(=O)[C@H](C)[N@@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C1CCC1 ZINC000483437294 1031168559 /nfs/dbraw/zinc/16/85/59/1031168559.db2.gz IGHFETDQZNGVJD-ZDUSSCGKSA-N 1 2 334.416 3.634 20 5 EHBDLO Cc1cc(NCc2cc[nH+]c(N3CCCCCC3)c2)ncc1[N+](=O)[O-] ZINC000080601289 1031347950 /nfs/dbraw/zinc/34/79/50/1031347950.db2.gz UXBJUHHLYOETLI-UHFFFAOYSA-N 1 2 341.415 3.686 20 5 EHBDLO CCOc1cc(C[NH2+][C@@H](CF)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000603018812 1033311367 /nfs/dbraw/zinc/31/13/67/1033311367.db2.gz MCXJZIFUJYAXAX-HNNXBMFYSA-N 1 2 336.338 3.933 20 5 EHBDLO Cc1noc(C[NH2+][C@@H](C)c2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000595414937 1033789479 /nfs/dbraw/zinc/78/94/79/1033789479.db2.gz OFPIQWHJSQDQMY-QMMMGPOBSA-N 1 2 340.177 3.505 20 5 EHBDLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000056467665 1036305463 /nfs/dbraw/zinc/30/54/63/1036305463.db2.gz GJRWGEBYDXMMRB-UHFFFAOYSA-N 1 2 347.334 3.514 20 5 EHBDLO Cc1cc(N[C@H](C)Cn2cc[nH+]c2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461779400 1038616130 /nfs/dbraw/zinc/61/61/30/1038616130.db2.gz UWRYGUBJDSBXSL-SNVBAGLBSA-N 1 2 328.294 3.619 20 5 EHBDLO COCc1nc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cs1 ZINC000417353082 1039711846 /nfs/dbraw/zinc/71/18/46/1039711846.db2.gz WJSZZEGEFUXGHD-MRXNPFEDSA-N 1 2 347.440 3.755 20 5 EHBDLO O=[N+]([O-])c1cccc(Cl)c1N1CC[NH+](Cc2cccs2)CC1 ZINC000432333893 1042968546 /nfs/dbraw/zinc/96/85/46/1042968546.db2.gz DGLZVEBTTYDFRF-UHFFFAOYSA-N 1 2 337.832 3.632 20 5 EHBDLO Cc1[nH]c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)cc2[nH+]1 ZINC000344296745 1043612795 /nfs/dbraw/zinc/61/27/95/1043612795.db2.gz BNVVBRMYWPMGQZ-UHFFFAOYSA-N 1 2 344.758 3.614 20 5 EHBDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000301467319 1128456396 /nfs/dbraw/zinc/45/63/96/1128456396.db2.gz QOOQVZNPSCYRAV-ZDUSSCGKSA-N 1 2 346.818 3.526 20 5 EHBDLO CC[C@H]([NH2+][C@H](C)c1nnc2n1CCCCC2)c1cccc([N+](=O)[O-])c1 ZINC000326926898 1128522109 /nfs/dbraw/zinc/52/21/09/1128522109.db2.gz TWJDZLCTRGVLSL-CJNGLKHVSA-N 1 2 343.431 3.715 20 5 EHBDLO Cc1ccccc1NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130904772 1128873967 /nfs/dbraw/zinc/87/39/67/1128873967.db2.gz KMRFIYBMFMMICK-UHFFFAOYSA-N 1 2 339.395 3.506 20 5 EHBDLO Cc1ccccc1NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130904772 1128873971 /nfs/dbraw/zinc/87/39/71/1128873971.db2.gz KMRFIYBMFMMICK-UHFFFAOYSA-N 1 2 339.395 3.506 20 5 EHBDLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000162698753 1120224688 /nfs/dbraw/zinc/22/46/88/1120224688.db2.gz QOOPOZDCURWQHW-UHFFFAOYSA-N 1 2 342.742 3.891 20 5 EHBDLO Cc1cc([N+](=O)[O-])cnc1NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000301195067 1122451984 /nfs/dbraw/zinc/45/19/84/1122451984.db2.gz NTDXPFQGONNTEO-UHFFFAOYSA-N 1 2 341.415 3.686 20 5 EHBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000609672537 1123639526 /nfs/dbraw/zinc/63/95/26/1123639526.db2.gz LFGNLTWCVACJSE-QGZVFWFLSA-N 1 2 344.436 3.894 20 5 EHBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000609672537 1123639528 /nfs/dbraw/zinc/63/95/28/1123639528.db2.gz LFGNLTWCVACJSE-QGZVFWFLSA-N 1 2 344.436 3.894 20 5 EHBDLO C[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccsc1 ZINC000619782691 1125404178 /nfs/dbraw/zinc/40/41/78/1125404178.db2.gz JMMJGNPSXGPASF-JTQLQIEISA-N 1 2 330.369 3.557 20 5 EHBDLO COc1ccc(C[N@@H+]2C[C@H](c3ccccc3)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000066851926 1129216221 /nfs/dbraw/zinc/21/62/21/1129216221.db2.gz XMLWJGHDOBPIIW-IFXJQAMLSA-N 1 2 342.395 3.565 20 5 EHBDLO COc1ccc(C[N@H+]2C[C@H](c3ccccc3)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000066851926 1129216224 /nfs/dbraw/zinc/21/62/24/1129216224.db2.gz XMLWJGHDOBPIIW-IFXJQAMLSA-N 1 2 342.395 3.565 20 5 EHBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc(C(F)(F)F)cs1 ZINC000282517955 1129988975 /nfs/dbraw/zinc/98/89/75/1129988975.db2.gz SSHFOPCNBPCARH-UHFFFAOYSA-N 1 2 345.346 3.745 20 5 EHBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc(C(F)(F)F)cs1 ZINC000282517955 1129988977 /nfs/dbraw/zinc/98/89/77/1129988977.db2.gz SSHFOPCNBPCARH-UHFFFAOYSA-N 1 2 345.346 3.745 20 5 EHBDLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000171195173 1130030474 /nfs/dbraw/zinc/03/04/74/1130030474.db2.gz LOQSPYQYGJVIEX-UHFFFAOYSA-N 1 2 347.334 3.514 20 5 EHBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000245446192 1130208973 /nfs/dbraw/zinc/20/89/73/1130208973.db2.gz ZOENFVFMFGQBDH-LBTNJELSSA-N 1 2 339.395 3.615 20 5 EHBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000245446192 1130208976 /nfs/dbraw/zinc/20/89/76/1130208976.db2.gz ZOENFVFMFGQBDH-LBTNJELSSA-N 1 2 339.395 3.615 20 5 EHBDLO CC(C)C[C@H]1CC(=O)N(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000744433094 1132096253 /nfs/dbraw/zinc/09/62/53/1132096253.db2.gz UHRSGCSEYSDMDG-KRWDZBQOSA-N 1 2 347.459 3.657 20 5 EHBDLO CC(C)C[C@H]1CC(=O)N(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000744433094 1132096261 /nfs/dbraw/zinc/09/62/61/1132096261.db2.gz UHRSGCSEYSDMDG-KRWDZBQOSA-N 1 2 347.459 3.657 20 5 EHBDLO C[N@H+](Cc1cccc2nsnc21)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000766847051 1132875446 /nfs/dbraw/zinc/87/54/46/1132875446.db2.gz WWQNWFPVTRONDJ-UHFFFAOYSA-N 1 2 348.815 3.885 20 5 EHBDLO C[N@@H+](Cc1cccc2nsnc21)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000766847051 1132875458 /nfs/dbraw/zinc/87/54/58/1132875458.db2.gz WWQNWFPVTRONDJ-UHFFFAOYSA-N 1 2 348.815 3.885 20 5 EHBDLO COc1cccc2[nH]c(NCC(C)=Cc3cccc([N+](=O)[O-])c3)[nH+]c21 ZINC001179497399 1133257039 /nfs/dbraw/zinc/25/70/39/1133257039.db2.gz DKUVYFCIAZMVBC-FMIVXFBMSA-N 1 2 338.367 3.995 20 5 EHBDLO Cc1ccc(C[N@@H+]2CCC[C@@]2(C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001196419139 1135561697 /nfs/dbraw/zinc/56/16/97/1135561697.db2.gz LBQIXONJPDVVSU-SFHVURJKSA-N 1 2 334.416 3.599 20 5 EHBDLO Cc1ccc(C[N@H+]2CCC[C@@]2(C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001196419139 1135561701 /nfs/dbraw/zinc/56/17/01/1135561701.db2.gz LBQIXONJPDVVSU-SFHVURJKSA-N 1 2 334.416 3.599 20 5 EHBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1 ZINC000810093344 1135920956 /nfs/dbraw/zinc/92/09/56/1135920956.db2.gz MTYSBTGODGYVEM-CVEARBPZSA-N 1 2 336.819 3.782 20 5 EHBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1 ZINC000810093344 1135920959 /nfs/dbraw/zinc/92/09/59/1135920959.db2.gz MTYSBTGODGYVEM-CVEARBPZSA-N 1 2 336.819 3.782 20 5 EHBDLO Cc1noc(C[NH2+][C@@H](C)c2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000851902699 1136417784 /nfs/dbraw/zinc/41/77/84/1136417784.db2.gz KZTOSPAABYSRPR-QMMMGPOBSA-N 1 2 329.278 3.761 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)ccc1Br ZINC000844468167 1137226506 /nfs/dbraw/zinc/22/65/06/1137226506.db2.gz LXDHYXKSKJPJIO-LBPRGKRZSA-N 1 2 347.159 3.588 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@]3(CC3(F)F)C2)ccc1Br ZINC000844468167 1137226507 /nfs/dbraw/zinc/22/65/07/1137226507.db2.gz LXDHYXKSKJPJIO-LBPRGKRZSA-N 1 2 347.159 3.588 20 5 EHBDLO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000795193732 1137562688 /nfs/dbraw/zinc/56/26/88/1137562688.db2.gz VMJOOVLUCFAJRA-ZDUSSCGKSA-N 1 2 347.365 3.584 20 5 EHBDLO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000795193732 1137562689 /nfs/dbraw/zinc/56/26/89/1137562689.db2.gz VMJOOVLUCFAJRA-ZDUSSCGKSA-N 1 2 347.365 3.584 20 5 EHBDLO C[C@H]([NH2+]Cc1ccc2c(n1)CCCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872067350 1137569449 /nfs/dbraw/zinc/56/94/49/1137569449.db2.gz PZIXLLYZKPQCDO-LBPRGKRZSA-N 1 2 329.375 3.859 20 5 EHBDLO C[C@H]1SCC[N@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000886014440 1138032119 /nfs/dbraw/zinc/03/21/19/1138032119.db2.gz HQRKTEWTVFTWIH-CJNGLKHVSA-N 1 2 329.425 3.668 20 5 EHBDLO C[C@H]1SCC[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000886014440 1138032120 /nfs/dbraw/zinc/03/21/20/1138032120.db2.gz HQRKTEWTVFTWIH-CJNGLKHVSA-N 1 2 329.425 3.668 20 5 EHBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@H]3c3ccccc3)n2)c1 ZINC000348526722 1141546115 /nfs/dbraw/zinc/54/61/15/1141546115.db2.gz WNGCZOMHAPPHIR-INIZCTEOSA-N 1 2 336.351 3.592 20 5 EHBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@H]3c3ccccc3)n2)c1 ZINC000348526722 1141546119 /nfs/dbraw/zinc/54/61/19/1141546119.db2.gz WNGCZOMHAPPHIR-INIZCTEOSA-N 1 2 336.351 3.592 20 5 EHBDLO C[C@@H](c1cccc(Cl)c1)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459514129 1032222322 /nfs/dbraw/zinc/22/23/22/1032222322.db2.gz SBBZNLBOVXHNGR-ZDUSSCGKSA-N 1 2 346.818 3.526 20 5 EHBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000538475225 1032395037 /nfs/dbraw/zinc/39/50/37/1032395037.db2.gz ASXOFMTUONGBNC-DNVCBOLYSA-N 1 2 326.396 3.599 20 5 EHBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000538475225 1032395046 /nfs/dbraw/zinc/39/50/46/1032395046.db2.gz ASXOFMTUONGBNC-DNVCBOLYSA-N 1 2 326.396 3.599 20 5 EHBDLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000593057170 1032689532 /nfs/dbraw/zinc/68/95/32/1032689532.db2.gz CNGPBPNJEVCWLZ-WBVHZDCISA-N 1 2 345.399 3.639 20 5 EHBDLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000593057170 1032689546 /nfs/dbraw/zinc/68/95/46/1032689546.db2.gz CNGPBPNJEVCWLZ-WBVHZDCISA-N 1 2 345.399 3.639 20 5 EHBDLO O=[N+]([O-])c1cc(F)c(NCc2ccccc2-n2cc[nH+]c2)c(F)c1 ZINC000091506174 1032706277 /nfs/dbraw/zinc/70/62/77/1032706277.db2.gz KZATXXCENASJFH-UHFFFAOYSA-N 1 2 330.294 3.671 20 5 EHBDLO Cc1ccc(C[NH2+][C@H](COCC(C)C)c2ccco2)cc1[N+](=O)[O-] ZINC000101596993 1018373876 /nfs/dbraw/zinc/37/38/76/1018373876.db2.gz FMVUAXLYDWJNNW-MRXNPFEDSA-N 1 2 332.400 4.000 20 5 EHBDLO Cc1noc([C@H](C)[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)n1 ZINC000356917855 1021452800 /nfs/dbraw/zinc/45/28/00/1021452800.db2.gz MCAQQJNUAJGLIJ-JTQLQIEISA-N 1 2 344.396 3.866 20 5 EHBDLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000023889516 1021812838 /nfs/dbraw/zinc/81/28/38/1021812838.db2.gz YOAZWPMRJCBUGW-UHFFFAOYSA-N 1 2 342.742 3.686 20 5 EHBDLO C[C@H]([NH2+]Cc1csc(N(C)C2CC2)n1)c1cccc([N+](=O)[O-])c1 ZINC000341591535 1022444978 /nfs/dbraw/zinc/44/49/78/1022444978.db2.gz WJIVPGBVYXVWLW-NSHDSACASA-N 1 2 332.429 3.501 20 5 EHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000506206377 1022565627 /nfs/dbraw/zinc/56/56/27/1022565627.db2.gz OPMVRNWKOYIVTI-UHFFFAOYSA-N 1 2 336.338 3.904 20 5 EHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000506206377 1022565635 /nfs/dbraw/zinc/56/56/35/1022565635.db2.gz OPMVRNWKOYIVTI-UHFFFAOYSA-N 1 2 336.338 3.904 20 5 EHBDLO Cc1cccc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1[N+](=O)[O-] ZINC000302510970 1023000881 /nfs/dbraw/zinc/00/08/81/1023000881.db2.gz SOPXEACPGSDONA-UHFFFAOYSA-N 1 2 326.331 3.840 20 5 EHBDLO CCOc1cc(C[NH2+][C@H](C)c2csc(CC)n2)ccc1[N+](=O)[O-] ZINC000276870425 1023266010 /nfs/dbraw/zinc/26/60/10/1023266010.db2.gz HLTXLPHFRUKGLW-LLVKDONJSA-N 1 2 335.429 3.863 20 5 EHBDLO CC[C@H](C)N(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H](C)CC ZINC000184944763 1023955250 /nfs/dbraw/zinc/95/52/50/1023955250.db2.gz CPBFGRZRIUTPRB-KBPBESRZSA-N 1 2 344.415 3.820 20 5 EHBDLO COc1cccc(NCc2cc[nH+]c(N3CCCCC3)c2)c1[N+](=O)[O-] ZINC000185197181 1024632400 /nfs/dbraw/zinc/63/24/00/1024632400.db2.gz LUQPCSSPCNUJLR-UHFFFAOYSA-N 1 2 342.399 3.601 20 5 EHBDLO Cc1cccc(C[N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000521184963 1025259063 /nfs/dbraw/zinc/25/90/63/1025259063.db2.gz REXKJQQYBLQOAH-UHFFFAOYSA-N 1 2 338.367 3.585 20 5 EHBDLO Cc1cccc(C[N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000521184963 1025259080 /nfs/dbraw/zinc/25/90/80/1025259080.db2.gz REXKJQQYBLQOAH-UHFFFAOYSA-N 1 2 338.367 3.585 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000522052807 1025905515 /nfs/dbraw/zinc/90/55/15/1025905515.db2.gz XHVUROUYJUPMOG-UONOGXRCSA-N 1 2 343.431 3.633 20 5 EHBDLO C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000451413850 1025945538 /nfs/dbraw/zinc/94/55/38/1025945538.db2.gz ZGHLIYAVIGXOQZ-NXEZZACHSA-N 1 2 342.321 3.634 20 5 EHBDLO C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000451413850 1025945546 /nfs/dbraw/zinc/94/55/46/1025945546.db2.gz ZGHLIYAVIGXOQZ-NXEZZACHSA-N 1 2 342.321 3.634 20 5 EHBDLO Cc1[nH]c([C@H]2CCCN2c2nc3ccc([N+](=O)[O-])cc3s2)[nH+]c1C ZINC000895193883 1026091079 /nfs/dbraw/zinc/09/10/79/1026091079.db2.gz VVQGCGAVZWOITH-CYBMUJFWSA-N 1 2 343.412 3.886 20 5 EHBDLO COc1ccc2c(c1)C[N@H+]([C@H](C)c1ccccc1[N+](=O)[O-])CCO2 ZINC000451641540 1026197703 /nfs/dbraw/zinc/19/77/03/1026197703.db2.gz IHZRYBABSDRSAS-CYBMUJFWSA-N 1 2 328.368 3.559 20 5 EHBDLO COc1ccc2c(c1)C[N@@H+]([C@H](C)c1ccccc1[N+](=O)[O-])CCO2 ZINC000451641540 1026197705 /nfs/dbraw/zinc/19/77/05/1026197705.db2.gz IHZRYBABSDRSAS-CYBMUJFWSA-N 1 2 328.368 3.559 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H]1CCC[C@@H]1OCc1ccccc1 ZINC000339185690 1026417655 /nfs/dbraw/zinc/41/76/55/1026417655.db2.gz QIFUBISRPRIGIQ-MJGOQNOKSA-N 1 2 342.395 3.528 20 5 EHBDLO Cc1cc(C)c(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c(C)[nH+]1 ZINC000121372230 1027497244 /nfs/dbraw/zinc/49/72/44/1027497244.db2.gz KZIRDZNMYHVGLN-UHFFFAOYSA-N 1 2 338.367 3.578 20 5 EHBDLO COc1cc(F)c([N+](=O)[O-])c(NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000091506243 1028266667 /nfs/dbraw/zinc/26/66/67/1028266667.db2.gz RAENQXILQWUGCR-UHFFFAOYSA-N 1 2 342.330 3.540 20 5 EHBDLO COc1ccc(C[N@@H+]2CCc3cccc(F)c3[C@H]2C)cc1[N+](=O)[O-] ZINC000523451859 1028325939 /nfs/dbraw/zinc/32/59/39/1028325939.db2.gz UWRCUVGQPSQZEJ-GFCCVEGCSA-N 1 2 330.359 3.862 20 5 EHBDLO COc1ccc(C[N@H+]2CCc3cccc(F)c3[C@H]2C)cc1[N+](=O)[O-] ZINC000523451859 1028325957 /nfs/dbraw/zinc/32/59/57/1028325957.db2.gz UWRCUVGQPSQZEJ-GFCCVEGCSA-N 1 2 330.359 3.862 20 5 EHBDLO COc1cccc(NC2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)c1 ZINC000110036612 1029090265 /nfs/dbraw/zinc/09/02/65/1029090265.db2.gz PIKNKHJORYTMMZ-UHFFFAOYSA-N 1 2 347.440 3.741 20 5 EHBDLO C[C@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000160737211 1030963733 /nfs/dbraw/zinc/96/37/33/1030963733.db2.gz PFZIIEGTLOOPMU-LBPRGKRZSA-N 1 2 340.408 3.964 20 5 EHBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803385 1031701181 /nfs/dbraw/zinc/70/11/81/1031701181.db2.gz CNPUUVZBRPXQOQ-IUODEOHRSA-N 1 2 345.424 3.820 20 5 EHBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803385 1031701195 /nfs/dbraw/zinc/70/11/95/1031701195.db2.gz CNPUUVZBRPXQOQ-IUODEOHRSA-N 1 2 345.424 3.820 20 5 EHBDLO COC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)c1ccc(C)o1 ZINC000595013911 1033607657 /nfs/dbraw/zinc/60/76/57/1033607657.db2.gz RLYPGJNLTFANIT-IUODEOHRSA-N 1 2 334.372 3.543 20 5 EHBDLO CCOc1ccc([C@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])cc1OCC ZINC000595423721 1033794568 /nfs/dbraw/zinc/79/45/68/1033794568.db2.gz SNQSDSAWKGNNLS-NSHDSACASA-N 1 2 349.387 3.539 20 5 EHBDLO CCCOc1ccc(C(C)(C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])cc1 ZINC000595467334 1033822268 /nfs/dbraw/zinc/82/22/68/1033822268.db2.gz QYQQJRJFKJBBFQ-UHFFFAOYSA-N 1 2 333.388 3.705 20 5 EHBDLO O=[N+]([O-])c1cc(F)c(C[NH+]2CCC([C@H]3CCCCO3)CC2)c(F)c1 ZINC000595784606 1034000376 /nfs/dbraw/zinc/00/03/76/1034000376.db2.gz SSSWMLUAPORUDX-QGZVFWFLSA-N 1 2 340.370 3.654 20 5 EHBDLO C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCO1 ZINC000179858518 1034807775 /nfs/dbraw/zinc/80/77/75/1034807775.db2.gz PZGJDOZDQYAYMB-NSHDSACASA-N 1 2 336.775 3.729 20 5 EHBDLO C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCO1 ZINC000179858518 1034807792 /nfs/dbraw/zinc/80/77/92/1034807792.db2.gz PZGJDOZDQYAYMB-NSHDSACASA-N 1 2 336.775 3.729 20 5 EHBDLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000414081559 1035459843 /nfs/dbraw/zinc/45/98/43/1035459843.db2.gz BMCYPTSHMOMKLG-GHMZBOCLSA-N 1 2 349.412 3.558 20 5 EHBDLO COC[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000588986495 1036211949 /nfs/dbraw/zinc/21/19/49/1036211949.db2.gz AAOQONUBDQHDOM-HNNXBMFYSA-N 1 2 338.766 3.865 20 5 EHBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000539594486 1036964041 /nfs/dbraw/zinc/96/40/41/1036964041.db2.gz UCLPICCOHSZJNU-ZAOIQFLMSA-N 1 2 338.407 3.552 20 5 EHBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000539594486 1036964059 /nfs/dbraw/zinc/96/40/59/1036964059.db2.gz UCLPICCOHSZJNU-ZAOIQFLMSA-N 1 2 338.407 3.552 20 5 EHBDLO COc1ccc(F)cc1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000462958522 1037578288 /nfs/dbraw/zinc/57/82/88/1037578288.db2.gz WAJIYVXUELKELX-UHFFFAOYSA-N 1 2 330.359 3.907 20 5 EHBDLO COc1ccc(F)cc1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000462958522 1037578309 /nfs/dbraw/zinc/57/83/09/1037578309.db2.gz WAJIYVXUELKELX-UHFFFAOYSA-N 1 2 330.359 3.907 20 5 EHBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2Cc3cccc(Br)c3C2)cc1 ZINC000613751504 1041592602 /nfs/dbraw/zinc/59/26/02/1041592602.db2.gz NUEYFZWSSCBJNP-UHFFFAOYSA-N 1 2 347.212 3.916 20 5 EHBDLO O=[N+]([O-])c1ccc(CC[N@H+]2Cc3cccc(Br)c3C2)cc1 ZINC000613751504 1041592609 /nfs/dbraw/zinc/59/26/09/1041592609.db2.gz NUEYFZWSSCBJNP-UHFFFAOYSA-N 1 2 347.212 3.916 20 5 EHBDLO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H](CO)c1c(F)cccc1F)CCC2 ZINC000278877602 1042809414 /nfs/dbraw/zinc/80/94/14/1042809414.db2.gz XMRMGWIFYRBOLW-IRXDYDNUSA-N 1 2 348.349 3.574 20 5 EHBDLO COc1ccccc1C(C)(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083170742 1127221242 /nfs/dbraw/zinc/22/12/42/1127221242.db2.gz STRVBGXVKRVBLJ-UHFFFAOYSA-N 1 2 341.367 3.770 20 5 EHBDLO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1F)c1c(F)cccc1F ZINC000301310173 1127737162 /nfs/dbraw/zinc/73/71/62/1127737162.db2.gz YYVQGFQZXHGTGU-OAHLLOKOSA-N 1 2 339.317 3.727 20 5 EHBDLO Cc1ccc([N+](=O)[O-])c(NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000301541354 1128495968 /nfs/dbraw/zinc/49/59/68/1128495968.db2.gz CCSSUWJKPMDTJV-UHFFFAOYSA-N 1 2 326.331 3.840 20 5 EHBDLO Cc1cc(N(C)CCCn2cc[nH+]c2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338682594 1128518371 /nfs/dbraw/zinc/51/83/71/1128518371.db2.gz VTRPFKLUJALOOP-UHFFFAOYSA-N 1 2 342.321 3.645 20 5 EHBDLO O=C(Nc1ccccc1)C1([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000495159666 1120974031 /nfs/dbraw/zinc/97/40/31/1120974031.db2.gz PVWXJPKLVDYUNF-UHFFFAOYSA-N 1 2 345.786 3.509 20 5 EHBDLO Cc1cc(CNC(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)cc(C)[nH+]1 ZINC000888279441 1121501156 /nfs/dbraw/zinc/50/11/56/1121501156.db2.gz DPHFZQDIIWIKOQ-UHFFFAOYSA-N 1 2 348.790 3.890 20 5 EHBDLO COc1c(C)cnc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1C ZINC000153295650 1121641535 /nfs/dbraw/zinc/64/15/35/1121641535.db2.gz SDIUYSNCNOMDOF-UHFFFAOYSA-N 1 2 341.411 3.780 20 5 EHBDLO COc1c(C)cnc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1C ZINC000153295650 1121641538 /nfs/dbraw/zinc/64/15/38/1121641538.db2.gz SDIUYSNCNOMDOF-UHFFFAOYSA-N 1 2 341.411 3.780 20 5 EHBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000916151296 1122081057 /nfs/dbraw/zinc/08/10/57/1122081057.db2.gz FFUAZCCWMZXTJZ-KGLIPLIRSA-N 1 2 339.395 3.541 20 5 EHBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000916151296 1122081065 /nfs/dbraw/zinc/08/10/65/1122081065.db2.gz FFUAZCCWMZXTJZ-KGLIPLIRSA-N 1 2 339.395 3.541 20 5 EHBDLO Cn1ccnc1[C@@H]([NH2+]C/C=C\c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000556885643 1123166128 /nfs/dbraw/zinc/16/61/28/1123166128.db2.gz QHRCKSSRBCHOQD-QBUQCISBSA-N 1 2 348.406 3.721 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)Cc1cccc(Cl)c1 ZINC000008120084 1130018283 /nfs/dbraw/zinc/01/82/83/1130018283.db2.gz GCAYTSRJBTUCIB-UHFFFAOYSA-N 1 2 347.802 3.627 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)Cc1cccc(Cl)c1 ZINC000008120084 1130018289 /nfs/dbraw/zinc/01/82/89/1130018289.db2.gz GCAYTSRJBTUCIB-UHFFFAOYSA-N 1 2 347.802 3.627 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000245421323 1130201412 /nfs/dbraw/zinc/20/14/12/1130201412.db2.gz HWWQGNDWVXYYKP-KUHUBIRLSA-N 1 2 339.395 3.535 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000245421323 1130201418 /nfs/dbraw/zinc/20/14/18/1130201418.db2.gz HWWQGNDWVXYYKP-KUHUBIRLSA-N 1 2 339.395 3.535 20 5 EHBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCCC(C)(C)C1 ZINC000732984322 1130978164 /nfs/dbraw/zinc/97/81/64/1130978164.db2.gz JWWKNNHIJQPLPR-NSHDSACASA-N 1 2 339.823 3.697 20 5 EHBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCCC(C)(C)C1 ZINC000732984322 1130978169 /nfs/dbraw/zinc/97/81/69/1130978169.db2.gz JWWKNNHIJQPLPR-NSHDSACASA-N 1 2 339.823 3.697 20 5 EHBDLO CC(C)[N@@H+](Cc1ccccc1F)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000746032680 1132351628 /nfs/dbraw/zinc/35/16/28/1132351628.db2.gz GAGKYNJIYVOUQM-UHFFFAOYSA-N 1 2 342.374 3.952 20 5 EHBDLO CC(C)[N@H+](Cc1ccccc1F)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000746032680 1132351634 /nfs/dbraw/zinc/35/16/34/1132351634.db2.gz GAGKYNJIYVOUQM-UHFFFAOYSA-N 1 2 342.374 3.952 20 5 EHBDLO CN(C)c1[nH+]cc(CN2CCc3c2cccc3[N+](=O)[O-])c2ccccc21 ZINC001168892643 1132590276 /nfs/dbraw/zinc/59/02/76/1132590276.db2.gz BNBKTVGULNEGCE-UHFFFAOYSA-N 1 2 348.406 3.772 20 5 EHBDLO O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3-n3cc[nH+]c3)no2)s1 ZINC001212585625 1132684287 /nfs/dbraw/zinc/68/42/87/1132684287.db2.gz UKOYZRIJOQUQPI-UHFFFAOYSA-N 1 2 339.336 3.559 20 5 EHBDLO CCCCC[C@H]1CCC[N@@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000767760849 1133048390 /nfs/dbraw/zinc/04/83/90/1133048390.db2.gz GRVXQYAGFFEPFZ-NSHDSACASA-N 1 2 345.241 3.556 20 5 EHBDLO CCCCC[C@H]1CCC[N@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000767760849 1133048395 /nfs/dbraw/zinc/04/83/95/1133048395.db2.gz GRVXQYAGFFEPFZ-NSHDSACASA-N 1 2 345.241 3.556 20 5 EHBDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1csc([N+](=O)[O-])c1 ZINC000791338861 1134533918 /nfs/dbraw/zinc/53/39/18/1134533918.db2.gz SBDSALWVNMDGKX-UHFFFAOYSA-N 1 2 343.364 3.507 20 5 EHBDLO Cc1cnc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C2CC2)s1 ZINC000792874306 1134810219 /nfs/dbraw/zinc/81/02/19/1134810219.db2.gz DYQGOCMBWXKNKM-AWEZNQCLSA-N 1 2 348.384 3.509 20 5 EHBDLO C[C@@]12CC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C[C@@H]1C2(Cl)Cl ZINC000792902701 1134818112 /nfs/dbraw/zinc/81/81/12/1134818112.db2.gz MHYICCJODGYHOI-QWHCGFSZSA-N 1 2 333.190 3.750 20 5 EHBDLO C[C@@]12CC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C[C@@H]1C2(Cl)Cl ZINC000792902701 1134818116 /nfs/dbraw/zinc/81/81/16/1134818116.db2.gz MHYICCJODGYHOI-QWHCGFSZSA-N 1 2 333.190 3.750 20 5 EHBDLO COc1cc(C[N@@H+]2CCc3ccsc3[C@@H]2C)c([N+](=O)[O-])cc1F ZINC001197431156 1135691743 /nfs/dbraw/zinc/69/17/43/1135691743.db2.gz CKGMZOKZOKNZRD-JTQLQIEISA-N 1 2 336.388 3.923 20 5 EHBDLO COc1cc(C[N@H+]2CCc3ccsc3[C@@H]2C)c([N+](=O)[O-])cc1F ZINC001197431156 1135691746 /nfs/dbraw/zinc/69/17/46/1135691746.db2.gz CKGMZOKZOKNZRD-JTQLQIEISA-N 1 2 336.388 3.923 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)ccc1Cl ZINC000810093565 1135920183 /nfs/dbraw/zinc/92/01/83/1135920183.db2.gz OCYLLNWFZZDZNT-HZPDHXFCSA-N 1 2 336.819 3.782 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)ccc1Cl ZINC000810093565 1135920184 /nfs/dbraw/zinc/92/01/84/1135920184.db2.gz OCYLLNWFZZDZNT-HZPDHXFCSA-N 1 2 336.819 3.782 20 5 EHBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC12CCOCC2 ZINC000811496455 1136094189 /nfs/dbraw/zinc/09/41/89/1136094189.db2.gz XVWJTAAURQYARF-UHFFFAOYSA-N 1 2 331.199 3.657 20 5 EHBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CCC12CCOCC2 ZINC000811496455 1136094192 /nfs/dbraw/zinc/09/41/92/1136094192.db2.gz XVWJTAAURQYARF-UHFFFAOYSA-N 1 2 331.199 3.657 20 5 EHBDLO CC1(c2noc(-c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)n2)CCCC1 ZINC000858853778 1136994739 /nfs/dbraw/zinc/99/47/39/1136994739.db2.gz YLFZRGZVIOQRKW-UHFFFAOYSA-N 1 2 339.355 3.662 20 5 EHBDLO Cc1cc(C)c(CNC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])c[nH+]1 ZINC000822017441 1137045957 /nfs/dbraw/zinc/04/59/57/1137045957.db2.gz NEZDKCQNWXECDP-UHFFFAOYSA-N 1 2 347.802 3.509 20 5 EHBDLO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000872047685 1137567603 /nfs/dbraw/zinc/56/76/03/1137567603.db2.gz COJRLOYNOCUDQC-YGRLFVJLSA-N 1 2 332.429 3.768 20 5 EHBDLO O=c1[nH]ccc2oc(C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)cc21 ZINC000876581604 1137656143 /nfs/dbraw/zinc/65/61/43/1137656143.db2.gz NYPWTYRGBFMSBW-UHFFFAOYSA-N 1 2 339.351 3.606 20 5 EHBDLO O=c1[nH]ccc2oc(C[N@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)cc21 ZINC000876581604 1137656144 /nfs/dbraw/zinc/65/61/44/1137656144.db2.gz NYPWTYRGBFMSBW-UHFFFAOYSA-N 1 2 339.351 3.606 20 5 EHBDLO Cc1[nH]c(C2CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)[nH+]c1C ZINC000886666737 1138111616 /nfs/dbraw/zinc/11/16/16/1138111616.db2.gz ZFQVMOZKSLDYTK-UHFFFAOYSA-N 1 2 348.834 3.968 20 5 EHBDLO COc1cc(C[NH2+][C@H](C)c2cccc(F)c2F)c([N+](=O)[O-])cc1F ZINC000184311947 1140095005 /nfs/dbraw/zinc/09/50/05/1140095005.db2.gz NWTNCLVPXBKDGQ-SECBINFHSA-N 1 2 340.301 3.872 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000430194202 1014779664 /nfs/dbraw/zinc/77/96/64/1014779664.db2.gz HNDOLROBEDJRAP-IFXJQAMLSA-N 1 2 342.395 3.565 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000430194202 1014779680 /nfs/dbraw/zinc/77/96/80/1014779680.db2.gz HNDOLROBEDJRAP-IFXJQAMLSA-N 1 2 342.395 3.565 20 5 EHBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000459763217 1032468847 /nfs/dbraw/zinc/46/88/47/1032468847.db2.gz YJHAAYYLSZUTRK-KRWDZBQOSA-N 1 2 340.427 3.836 20 5 EHBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000459763217 1032468852 /nfs/dbraw/zinc/46/88/52/1032468852.db2.gz YJHAAYYLSZUTRK-KRWDZBQOSA-N 1 2 340.427 3.836 20 5 EHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000584438766 1032588165 /nfs/dbraw/zinc/58/81/65/1032588165.db2.gz NNJADRPQDUBQAX-QZTJIDSGSA-N 1 2 348.443 3.771 20 5 EHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000584438766 1032588173 /nfs/dbraw/zinc/58/81/73/1032588173.db2.gz NNJADRPQDUBQAX-QZTJIDSGSA-N 1 2 348.443 3.771 20 5 EHBDLO COC(=O)C(C)(C)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000513150312 1019128022 /nfs/dbraw/zinc/12/80/22/1019128022.db2.gz PFYYHGASHNAQOU-UHFFFAOYSA-N 1 2 348.424 3.707 20 5 EHBDLO COC(=O)C(C)(C)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000513150312 1019128028 /nfs/dbraw/zinc/12/80/28/1019128028.db2.gz PFYYHGASHNAQOU-UHFFFAOYSA-N 1 2 348.424 3.707 20 5 EHBDLO Cc1c([C@@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)cccc1[N+](=O)[O-] ZINC000167975100 1019550180 /nfs/dbraw/zinc/55/01/80/1019550180.db2.gz HCLVMBIBSNUXER-HIFRSBDPSA-N 1 2 343.431 3.804 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1c(F)cc(F)c(F)c1F ZINC000430025675 1019788689 /nfs/dbraw/zinc/78/86/89/1019788689.db2.gz LLHPFYHVEVPSOH-UHFFFAOYSA-N 1 2 328.265 3.749 20 5 EHBDLO C[C@H]([NH2+][C@H](c1nnc[nH]1)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000602517091 1032928538 /nfs/dbraw/zinc/92/85/38/1032928538.db2.gz BWDRUNDZSPLTQW-LRDDRELGSA-N 1 2 329.404 3.685 20 5 EHBDLO CCNc1cc(CNc2ccc(C(=O)CC)cc2[N+](=O)[O-])cc[nH+]1 ZINC000894872512 1021552124 /nfs/dbraw/zinc/55/21/24/1021552124.db2.gz JXVFJTZJBWEDDN-UHFFFAOYSA-N 1 2 328.372 3.626 20 5 EHBDLO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]1c1ccccc1 ZINC000248358772 1021694875 /nfs/dbraw/zinc/69/48/75/1021694875.db2.gz REGUMNOIHAVWEK-SCLBCKFNSA-N 1 2 340.379 3.654 20 5 EHBDLO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]1c1ccccc1 ZINC000248358772 1021694879 /nfs/dbraw/zinc/69/48/79/1021694879.db2.gz REGUMNOIHAVWEK-SCLBCKFNSA-N 1 2 340.379 3.654 20 5 EHBDLO CCN(CC)c1ccc(Nc2ncnc3ccc([N+](=O)[O-])cc32)c[nH+]1 ZINC000611700097 1026936583 /nfs/dbraw/zinc/93/65/83/1026936583.db2.gz CDMGZIPDYRYLSG-UHFFFAOYSA-N 1 2 338.371 3.523 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1COc2cc(F)cc(F)c21 ZINC000612422660 1028087541 /nfs/dbraw/zinc/08/75/41/1028087541.db2.gz REYCKGQZUSRZSB-BONVTDFDSA-N 1 2 334.322 3.966 20 5 EHBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+]([C@@H]1CCCc3ccc(F)cc31)CC2 ZINC000612469192 1028121249 /nfs/dbraw/zinc/12/12/49/1028121249.db2.gz MPPLEWGPOXXZFP-GOSISDBHSA-N 1 2 327.359 3.565 20 5 EHBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+]([C@@H]1CCCc3ccc(F)cc31)CC2 ZINC000612469192 1028121255 /nfs/dbraw/zinc/12/12/55/1028121255.db2.gz MPPLEWGPOXXZFP-GOSISDBHSA-N 1 2 327.359 3.565 20 5 EHBDLO C[N@H+](Cc1ccc(C(F)(F)F)cn1)Cc1ccccc1[N+](=O)[O-] ZINC000278123926 1029190311 /nfs/dbraw/zinc/19/03/11/1029190311.db2.gz LZKOAHLMHWASGK-UHFFFAOYSA-N 1 2 325.290 3.641 20 5 EHBDLO C[N@@H+](Cc1ccc(C(F)(F)F)cn1)Cc1ccccc1[N+](=O)[O-] ZINC000278123926 1029190320 /nfs/dbraw/zinc/19/03/20/1029190320.db2.gz LZKOAHLMHWASGK-UHFFFAOYSA-N 1 2 325.290 3.641 20 5 EHBDLO Cc1cccc(CCCNc2ccc([N+](=O)[O-])cc2OC(F)F)[nH+]1 ZINC000343236134 1029856281 /nfs/dbraw/zinc/85/62/81/1029856281.db2.gz GHTVZPLTPQAFRF-UHFFFAOYSA-N 1 2 337.326 3.944 20 5 EHBDLO C[C@@H]1C[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H](C)S1 ZINC000159430377 1030189796 /nfs/dbraw/zinc/18/97/96/1030189796.db2.gz OQCZANZHMCCRHP-AOOOYVTPSA-N 1 2 345.262 3.683 20 5 EHBDLO C[C@@H]1C[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H](C)S1 ZINC000159430377 1030189805 /nfs/dbraw/zinc/18/98/05/1030189805.db2.gz OQCZANZHMCCRHP-AOOOYVTPSA-N 1 2 345.262 3.683 20 5 EHBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000302802786 1031156666 /nfs/dbraw/zinc/15/66/66/1031156666.db2.gz DDAFCXITNCIZFZ-NHYWBVRUSA-N 1 2 334.807 3.841 20 5 EHBDLO COCc1cc[nH+]c(N[C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])c1 ZINC000593698553 1033797499 /nfs/dbraw/zinc/79/74/99/1033797499.db2.gz SWDCGYPFAIFENM-WBVHZDCISA-N 1 2 341.411 3.960 20 5 EHBDLO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H](CO)c1ccc(Cl)cc1 ZINC000595511513 1033837244 /nfs/dbraw/zinc/83/72/44/1033837244.db2.gz SDQUIYOTGKEWTH-INIZCTEOSA-N 1 2 338.766 3.553 20 5 EHBDLO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H](CO)c1ccc(Cl)cc1 ZINC000595511513 1033837257 /nfs/dbraw/zinc/83/72/57/1033837257.db2.gz SDQUIYOTGKEWTH-INIZCTEOSA-N 1 2 338.766 3.553 20 5 EHBDLO O=[N+]([O-])c1cc(C(F)F)ccc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000596173622 1034117853 /nfs/dbraw/zinc/11/78/53/1034117853.db2.gz YWMURBNSGPHMKD-LBPRGKRZSA-N 1 2 334.326 3.618 20 5 EHBDLO O=[N+]([O-])c1ccc(NCc2ccccc2Cn2cc[nH+]c2)c(F)c1 ZINC000060446068 1034533748 /nfs/dbraw/zinc/53/37/48/1034533748.db2.gz MFZXWYZYLXXQQY-UHFFFAOYSA-N 1 2 326.331 3.591 20 5 EHBDLO COc1cccc([N+](=O)[O-])c1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000572709495 1036463973 /nfs/dbraw/zinc/46/39/73/1036463973.db2.gz DTIUAUMYUMWEPF-UHFFFAOYSA-N 1 2 342.399 3.601 20 5 EHBDLO CCn1c(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])nc2c1cccc2F ZINC000271708247 1036961762 /nfs/dbraw/zinc/96/17/62/1036961762.db2.gz ISQQOEMGEVSPEK-LBPRGKRZSA-N 1 2 342.374 3.954 20 5 EHBDLO COc1ccc2c(c1)C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)CC2 ZINC000761505025 1037088749 /nfs/dbraw/zinc/08/87/49/1037088749.db2.gz CONQXCRNMIJJGC-UHFFFAOYSA-N 1 2 332.787 3.815 20 5 EHBDLO COc1ccc2c(c1)C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)CC2 ZINC000761505025 1037088764 /nfs/dbraw/zinc/08/87/64/1037088764.db2.gz CONQXCRNMIJJGC-UHFFFAOYSA-N 1 2 332.787 3.815 20 5 EHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000584438767 1038252087 /nfs/dbraw/zinc/25/20/87/1038252087.db2.gz NNJADRPQDUBQAX-ROUUACIJSA-N 1 2 348.443 3.771 20 5 EHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000584438767 1038252101 /nfs/dbraw/zinc/25/21/01/1038252101.db2.gz NNJADRPQDUBQAX-ROUUACIJSA-N 1 2 348.443 3.771 20 5 EHBDLO Cc1cc(N[C@@H](C)Cn2cc[nH+]c2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461779361 1038615703 /nfs/dbraw/zinc/61/57/03/1038615703.db2.gz UWRYGUBJDSBXSL-JTQLQIEISA-N 1 2 328.294 3.619 20 5 EHBDLO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NCCn1cc[nH+]c1 ZINC000301063893 1121292883 /nfs/dbraw/zinc/29/28/83/1121292883.db2.gz VNIUGABHOBEXDU-UHFFFAOYSA-N 1 2 334.685 3.576 20 5 EHBDLO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1COc3cc(F)cc(F)c31)CCC2 ZINC000618575533 1125121610 /nfs/dbraw/zinc/12/16/10/1125121610.db2.gz OZIYUKNTMKMPPT-CVEARBPZSA-N 1 2 346.333 3.974 20 5 EHBDLO COc1cc(C[N@H+](C)Cc2ccc(F)c(C)c2)c([N+](=O)[O-])cc1OC ZINC000618614564 1125124980 /nfs/dbraw/zinc/12/49/80/1125124980.db2.gz VCYPJWGEHGLCGW-UHFFFAOYSA-N 1 2 348.374 3.692 20 5 EHBDLO COc1cc(C[N@@H+](C)Cc2ccc(F)c(C)c2)c([N+](=O)[O-])cc1OC ZINC000618614564 1125124984 /nfs/dbraw/zinc/12/49/84/1125124984.db2.gz VCYPJWGEHGLCGW-UHFFFAOYSA-N 1 2 348.374 3.692 20 5 EHBDLO C[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccsc1 ZINC000619782614 1125404250 /nfs/dbraw/zinc/40/42/50/1125404250.db2.gz GIQWLNNJAAKAGT-SNVBAGLBSA-N 1 2 330.369 3.557 20 5 EHBDLO Cc1cc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000543388805 1129451407 /nfs/dbraw/zinc/45/14/07/1129451407.db2.gz IWBQSKUIIYUPGT-MRXNPFEDSA-N 1 2 347.802 3.798 20 5 EHBDLO CCOc1cc(Oc2cccc(-n3cc[nH+]c3)c2)ccc1[N+](=O)[O-] ZINC000301967927 1129460148 /nfs/dbraw/zinc/46/01/48/1129460148.db2.gz XFQPDHPNQRBMII-UHFFFAOYSA-N 1 2 325.324 3.972 20 5 EHBDLO C[C@@H](CNc1c(Cl)cc([N+](=O)[O-])cc1Cl)Cn1cc[nH+]c1 ZINC000302248673 1129774137 /nfs/dbraw/zinc/77/41/37/1129774137.db2.gz VIVWZHKQWCWDPE-VIFPVBQESA-N 1 2 329.187 3.846 20 5 EHBDLO Cc1c(C[N@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)cccc1[N+](=O)[O-] ZINC000246337913 1130373085 /nfs/dbraw/zinc/37/30/85/1130373085.db2.gz DXQPYPRKCVLYDQ-YVEFUNNKSA-N 1 2 332.425 3.927 20 5 EHBDLO Cc1c(C[N@@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)cccc1[N+](=O)[O-] ZINC000246337913 1130373090 /nfs/dbraw/zinc/37/30/90/1130373090.db2.gz DXQPYPRKCVLYDQ-YVEFUNNKSA-N 1 2 332.425 3.927 20 5 EHBDLO COc1ccccc1[C@@H]1CCCC[N@@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000729989212 1130663352 /nfs/dbraw/zinc/66/33/52/1130663352.db2.gz SRRNKTKZDANPOR-INIZCTEOSA-N 1 2 344.415 3.601 20 5 EHBDLO COc1ccccc1[C@@H]1CCCC[N@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000729989212 1130663354 /nfs/dbraw/zinc/66/33/54/1130663354.db2.gz SRRNKTKZDANPOR-INIZCTEOSA-N 1 2 344.415 3.601 20 5 EHBDLO O=[N+]([O-])c1ccc2[nH]c(C(Cl)=Cc3cccc4[nH+]ccn43)nc2c1 ZINC000769608333 1133321199 /nfs/dbraw/zinc/32/11/99/1133321199.db2.gz SCRPQJYSRKFGFN-WQLSENKSSA-N 1 2 339.742 3.856 20 5 EHBDLO CCc1cc(NCCCCc2ccc([N+](=O)[O-])cc2)nc(CC)[nH+]1 ZINC001185572924 1134108012 /nfs/dbraw/zinc/10/80/12/1134108012.db2.gz DQSXWSWTZJVVFM-UHFFFAOYSA-N 1 2 328.416 3.944 20 5 EHBDLO Cc1ccc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC001192451764 1135021926 /nfs/dbraw/zinc/02/19/26/1135021926.db2.gz BCALSHUOGRXMEK-UHFFFAOYSA-N 1 2 345.830 3.879 20 5 EHBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000810093373 1135920708 /nfs/dbraw/zinc/92/07/08/1135920708.db2.gz NHOHCOODRRVCHO-HZPDHXFCSA-N 1 2 336.819 3.782 20 5 EHBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000810093373 1135920710 /nfs/dbraw/zinc/92/07/10/1135920710.db2.gz NHOHCOODRRVCHO-HZPDHXFCSA-N 1 2 336.819 3.782 20 5 EHBDLO Cc1cc2nc3ccc(N(C)C)cc3nc2cc1Nc1ccc(N)[nH+]c1 ZINC001201285762 1136001042 /nfs/dbraw/zinc/00/10/42/1136001042.db2.gz OZRHWYKOOWYAAI-UHFFFAOYSA-N 1 2 344.422 3.878 20 5 EHBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]Cc3cccc(F)n3)cs2)c1 ZINC000747926798 1136429947 /nfs/dbraw/zinc/42/99/47/1136429947.db2.gz XQLFTWBHNQVEGK-UHFFFAOYSA-N 1 2 344.371 3.542 20 5 EHBDLO C[C@@H](Nc1ccc(N2CCCCC2)c[nH+]1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815602621 1136622519 /nfs/dbraw/zinc/62/25/19/1136622519.db2.gz FWXCKQOOMBWNCO-CYBMUJFWSA-N 1 2 341.415 3.735 20 5 EHBDLO Cc1cccc(C[N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000338986965 1136754436 /nfs/dbraw/zinc/75/44/36/1136754436.db2.gz JIFKDKNFCRNZOM-UHFFFAOYSA-N 1 2 338.367 3.585 20 5 EHBDLO Cc1cccc(C[N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000338986965 1136754440 /nfs/dbraw/zinc/75/44/40/1136754440.db2.gz JIFKDKNFCRNZOM-UHFFFAOYSA-N 1 2 338.367 3.585 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)ccc1Br ZINC000844468166 1137226616 /nfs/dbraw/zinc/22/66/16/1137226616.db2.gz LXDHYXKSKJPJIO-GFCCVEGCSA-N 1 2 347.159 3.588 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)ccc1Br ZINC000844468166 1137226617 /nfs/dbraw/zinc/22/66/17/1137226617.db2.gz LXDHYXKSKJPJIO-GFCCVEGCSA-N 1 2 347.159 3.588 20 5 EHBDLO C[C@@H](NC[C@H](c1ccco1)[NH+]1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872017253 1137564700 /nfs/dbraw/zinc/56/47/00/1137564700.db2.gz XROCXGTWDHKWFH-CZUORRHYSA-N 1 2 347.390 3.815 20 5 EHBDLO Cc1ncc2c(n1)CCC[C@H]2[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872034125 1137566613 /nfs/dbraw/zinc/56/66/13/1137566613.db2.gz IADSNDMRGCESSC-IINYFYTJSA-N 1 2 330.363 3.561 20 5 EHBDLO COc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872044567 1137567409 /nfs/dbraw/zinc/56/74/09/1137567409.db2.gz CFNXDFHJPHXNPN-RISCZKNCSA-N 1 2 346.358 3.917 20 5 EHBDLO Cc1ccc(C[NH2+]Cc2noc3c2CC(C)(C)CC3)cc1[N+](=O)[O-] ZINC000873175735 1137592520 /nfs/dbraw/zinc/59/25/20/1137592520.db2.gz PCUDETKCFFDROG-UHFFFAOYSA-N 1 2 329.400 3.696 20 5 EHBDLO Cc1ccc([C@H]2CSCC[N@@H+]2Cc2cccnc2[N+](=O)[O-])cc1 ZINC000886013024 1138032126 /nfs/dbraw/zinc/03/21/26/1138032126.db2.gz UBRJSDNQXSGALS-MRXNPFEDSA-N 1 2 329.425 3.588 20 5 EHBDLO Cc1ccc([C@H]2CSCC[N@H+]2Cc2cccnc2[N+](=O)[O-])cc1 ZINC000886013024 1138032127 /nfs/dbraw/zinc/03/21/27/1138032127.db2.gz UBRJSDNQXSGALS-MRXNPFEDSA-N 1 2 329.425 3.588 20 5 EHBDLO CC(C)c1[nH+]c2c(n1C)CCN(Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000182152618 1139953972 /nfs/dbraw/zinc/95/39/72/1139953972.db2.gz DIJFCSRYDMXCTA-UHFFFAOYSA-N 1 2 348.834 3.663 20 5 EHBDLO Cc1ccc([C@H](C)[NH2+][C@H](CO)c2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000271543430 1141393737 /nfs/dbraw/zinc/39/37/37/1141393737.db2.gz YWNWUEQZNBYGFF-XHDPSFHLSA-N 1 2 336.338 3.566 20 5 EHBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@H]3c3ccccc3)n2)cc1 ZINC000471174618 1015271722 /nfs/dbraw/zinc/27/17/22/1015271722.db2.gz ZWGUCXYCLJRQTA-INIZCTEOSA-N 1 2 336.351 3.592 20 5 EHBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@H]3c3ccccc3)n2)cc1 ZINC000471174618 1015271730 /nfs/dbraw/zinc/27/17/30/1015271730.db2.gz ZWGUCXYCLJRQTA-INIZCTEOSA-N 1 2 336.351 3.592 20 5 EHBDLO Cc1c([C@@H](C)[NH2+][C@H]2COc3cc(F)cc(F)c32)cccc1[N+](=O)[O-] ZINC000359868624 1015879793 /nfs/dbraw/zinc/87/97/93/1015879793.db2.gz KPDWLCIEISHINN-YGRLFVJLSA-N 1 2 334.322 3.966 20 5 EHBDLO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000541117975 1017663503 /nfs/dbraw/zinc/66/35/03/1017663503.db2.gz GFAOQWLTIKEKAD-MRXNPFEDSA-N 1 2 338.766 3.865 20 5 EHBDLO CCN(CC)c1ccc(NCc2nc3cc([N+](=O)[O-])ccc3o2)c[nH+]1 ZINC000602574310 1032982939 /nfs/dbraw/zinc/98/29/39/1032982939.db2.gz IUECRHPUUWMRNK-UHFFFAOYSA-N 1 2 341.371 3.589 20 5 EHBDLO CCO[C@@H]1C[C@H]1[NH2+][C@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000517675278 1022538659 /nfs/dbraw/zinc/53/86/59/1022538659.db2.gz KJFFZTVCTFFGLT-NXHRZFHOSA-N 1 2 330.384 3.607 20 5 EHBDLO Cc1cc(C)c2cc(NC3CC(n4cc([N+](=O)[O-])cn4)C3)ccc2[nH+]1 ZINC000895879173 1024924703 /nfs/dbraw/zinc/92/47/03/1024924703.db2.gz RXNVUYSGOQYBSD-UHFFFAOYSA-N 1 2 337.383 3.772 20 5 EHBDLO COc1nc(C)cc(C)c1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000347079516 1025501977 /nfs/dbraw/zinc/50/19/77/1025501977.db2.gz QSSNTPWNVWQAFF-UHFFFAOYSA-N 1 2 341.411 3.780 20 5 EHBDLO COc1nc(C)cc(C)c1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000347079516 1025501988 /nfs/dbraw/zinc/50/19/88/1025501988.db2.gz QSSNTPWNVWQAFF-UHFFFAOYSA-N 1 2 341.411 3.780 20 5 EHBDLO CCC1(CC)C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC[S@@]1=O ZINC000248975783 1027239506 /nfs/dbraw/zinc/23/95/06/1027239506.db2.gz HPADLINXUCBUMW-FATZIPQQSA-N 1 2 338.473 3.587 20 5 EHBDLO CCC1(CC)C[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC[S@@]1=O ZINC000248975783 1027239515 /nfs/dbraw/zinc/23/95/15/1027239515.db2.gz HPADLINXUCBUMW-FATZIPQQSA-N 1 2 338.473 3.587 20 5 EHBDLO Cc1cn2c([nH+]1)[C@@H](CNc1ccc([N+](=O)[O-])c3ncccc13)CCC2 ZINC000413195684 1027261113 /nfs/dbraw/zinc/26/11/13/1027261113.db2.gz CXACDOQANPADEF-CYBMUJFWSA-N 1 2 337.383 3.637 20 5 EHBDLO Cc1cccc(CCCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)[nH+]1 ZINC000413283672 1027440295 /nfs/dbraw/zinc/44/02/95/1027440295.db2.gz UAICYEALVUQIIB-UHFFFAOYSA-N 1 2 340.305 3.757 20 5 EHBDLO CC[C@H]1Cc2ccccc2C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444681946 1028151885 /nfs/dbraw/zinc/15/18/85/1028151885.db2.gz XVGBKLBVLKPBKF-HNNXBMFYSA-N 1 2 336.395 3.808 20 5 EHBDLO CC[C@H]1Cc2ccccc2C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444681946 1028151893 /nfs/dbraw/zinc/15/18/93/1028151893.db2.gz XVGBKLBVLKPBKF-HNNXBMFYSA-N 1 2 336.395 3.808 20 5 EHBDLO CC(C)c1ccc(C[NH2+]C(C)(C)c2cn(C(C)C)nn2)cc1[N+](=O)[O-] ZINC000421396448 1028376974 /nfs/dbraw/zinc/37/69/74/1028376974.db2.gz BQPQLTWBMWSGOZ-UHFFFAOYSA-N 1 2 345.447 3.916 20 5 EHBDLO CCc1ccccc1NC(=O)C[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000016420168 1028436926 /nfs/dbraw/zinc/43/69/26/1028436926.db2.gz YWYXSFCHLLAULE-AWEZNQCLSA-N 1 2 341.411 3.789 20 5 EHBDLO CCc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000016420168 1028436943 /nfs/dbraw/zinc/43/69/43/1028436943.db2.gz YWYXSFCHLLAULE-AWEZNQCLSA-N 1 2 341.411 3.789 20 5 EHBDLO O=[N+]([O-])c1cccnc1SCc1c[nH+]cn1Cc1ccccc1 ZINC000445608909 1028970616 /nfs/dbraw/zinc/97/06/16/1028970616.db2.gz SOIDKODRFQBJTJ-UHFFFAOYSA-N 1 2 326.381 3.527 20 5 EHBDLO CC(C)c1nnc([C@H](C)[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)[nH]1 ZINC000278597194 1031583132 /nfs/dbraw/zinc/58/31/32/1031583132.db2.gz AJDYBHQUBMWJLP-XHDPSFHLSA-N 1 2 343.431 3.910 20 5 EHBDLO CCc1ccc(C2=CC[N@H+](Cc3onc(C)c3[N+](=O)[O-])CC2)cc1 ZINC000595410980 1033787617 /nfs/dbraw/zinc/78/76/17/1033787617.db2.gz KJFUGYOHUOMABP-UHFFFAOYSA-N 1 2 327.384 3.743 20 5 EHBDLO CCc1ccc(C2=CC[N@@H+](Cc3onc(C)c3[N+](=O)[O-])CC2)cc1 ZINC000595410980 1033787620 /nfs/dbraw/zinc/78/76/20/1033787620.db2.gz KJFUGYOHUOMABP-UHFFFAOYSA-N 1 2 327.384 3.743 20 5 EHBDLO Cc1noc(C[NH2+][C@@H](c2ccc(F)c(Cl)c2)C2CC2)c1[N+](=O)[O-] ZINC000595511090 1033836120 /nfs/dbraw/zinc/83/61/20/1033836120.db2.gz OYNZOCYTBHDXKO-CQSZACIVSA-N 1 2 339.754 3.925 20 5 EHBDLO COc1cc2c(cc1F)C[N@@H+]([C@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000540837660 1035721742 /nfs/dbraw/zinc/72/17/42/1035721742.db2.gz NFDQJIJCQLEGQB-GFCCVEGCSA-N 1 2 330.359 3.862 20 5 EHBDLO COc1cc2c(cc1F)C[N@H+]([C@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000540837660 1035721759 /nfs/dbraw/zinc/72/17/59/1035721759.db2.gz NFDQJIJCQLEGQB-GFCCVEGCSA-N 1 2 330.359 3.862 20 5 EHBDLO COc1ccc(C[N@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])cc1C ZINC000464102750 1036126522 /nfs/dbraw/zinc/12/65/22/1036126522.db2.gz UBLXYIAXASZHOV-UHFFFAOYSA-N 1 2 348.374 3.692 20 5 EHBDLO COc1ccc(C[N@@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])cc1C ZINC000464102750 1036126531 /nfs/dbraw/zinc/12/65/31/1036126531.db2.gz UBLXYIAXASZHOV-UHFFFAOYSA-N 1 2 348.374 3.692 20 5 EHBDLO CC[C@@H]([NH2+]Cc1nccc(C(F)(F)F)n1)c1cccc([N+](=O)[O-])c1 ZINC000414232606 1036191403 /nfs/dbraw/zinc/19/14/03/1036191403.db2.gz DGQCLGDFQBZKMZ-GFCCVEGCSA-N 1 2 340.305 3.645 20 5 EHBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000572804024 1036502454 /nfs/dbraw/zinc/50/24/54/1036502454.db2.gz MXCOGPZLTQRZQP-HOTGVXAUSA-N 1 2 336.819 3.782 20 5 EHBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000572804024 1036502471 /nfs/dbraw/zinc/50/24/71/1036502471.db2.gz MXCOGPZLTQRZQP-HOTGVXAUSA-N 1 2 336.819 3.782 20 5 EHBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H]3c3ccc[nH]3)co2)cc1 ZINC000089910438 1036972443 /nfs/dbraw/zinc/97/24/43/1036972443.db2.gz VGORQCBWALIZSD-KRWDZBQOSA-N 1 2 338.367 3.915 20 5 EHBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@H]3c3ccc[nH]3)co2)cc1 ZINC000089910438 1036972467 /nfs/dbraw/zinc/97/24/67/1036972467.db2.gz VGORQCBWALIZSD-KRWDZBQOSA-N 1 2 338.367 3.915 20 5 EHBDLO CC(C)Cc1ncc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)s1 ZINC000539829542 1037256028 /nfs/dbraw/zinc/25/60/28/1037256028.db2.gz PRAVHGNOMXZGMF-UHFFFAOYSA-N 1 2 331.441 3.808 20 5 EHBDLO CC(C)Cc1ncc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)s1 ZINC000539829542 1037256034 /nfs/dbraw/zinc/25/60/34/1037256034.db2.gz PRAVHGNOMXZGMF-UHFFFAOYSA-N 1 2 331.441 3.808 20 5 EHBDLO C[C@H](CC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC000569978020 1038878239 /nfs/dbraw/zinc/87/82/39/1038878239.db2.gz UWOKMJIDAOVBEK-GFCCVEGCSA-N 1 2 330.388 3.679 20 5 EHBDLO Cn1cc(Cl)c(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000417346931 1039698051 /nfs/dbraw/zinc/69/80/51/1039698051.db2.gz GGYNQVRPVKUYHF-OAHLLOKOSA-N 1 2 334.807 3.539 20 5 EHBDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000029530195 1040677753 /nfs/dbraw/zinc/67/77/53/1040677753.db2.gz DWGCMVCYTJPKHR-CYBMUJFWSA-N 1 2 346.818 3.526 20 5 EHBDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000029530196 1040677829 /nfs/dbraw/zinc/67/78/29/1040677829.db2.gz DWGCMVCYTJPKHR-ZDUSSCGKSA-N 1 2 346.818 3.526 20 5 EHBDLO C[C@H](c1c(F)cccc1F)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000604435427 1042948786 /nfs/dbraw/zinc/94/87/86/1042948786.db2.gz WCVCLDYZPLORFI-GFCCVEGCSA-N 1 2 336.338 3.945 20 5 EHBDLO C[C@H](c1c(F)cccc1F)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000604435427 1042948788 /nfs/dbraw/zinc/94/87/88/1042948788.db2.gz WCVCLDYZPLORFI-GFCCVEGCSA-N 1 2 336.338 3.945 20 5 EHBDLO O=[N+]([O-])c1cccc2c(NCCCCNc3cccc[nH+]3)ccnc21 ZINC000432339298 1042974660 /nfs/dbraw/zinc/97/46/60/1042974660.db2.gz SMVCHHLJBPYFEQ-UHFFFAOYSA-N 1 2 337.383 3.842 20 5 EHBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H]3c3ccc(F)cc3)nc2c1 ZINC000344694028 1044291343 /nfs/dbraw/zinc/29/13/43/1044291343.db2.gz AGWAAVGYIJCWGA-QGZVFWFLSA-N 1 2 340.358 3.947 20 5 EHBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H]3c3ccc(F)cc3)nc2c1 ZINC000344694028 1044291355 /nfs/dbraw/zinc/29/13/55/1044291355.db2.gz AGWAAVGYIJCWGA-QGZVFWFLSA-N 1 2 340.358 3.947 20 5 EHBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(Nc3ccccn3)CC2)c(Cl)c1 ZINC000542972768 1128969988 /nfs/dbraw/zinc/96/99/88/1128969988.db2.gz ZNWJRRPONOIXFL-UHFFFAOYSA-N 1 2 346.818 3.720 20 5 EHBDLO Cc1cc(-n2cc[nH+]c2)ccc1CSc1ccc([N+](=O)[O-])cn1 ZINC000194558172 1122743211 /nfs/dbraw/zinc/74/32/11/1122743211.db2.gz PDEJMJGREINQBF-UHFFFAOYSA-N 1 2 326.381 3.776 20 5 EHBDLO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1COc3cc(F)cc(F)c31)CCC2 ZINC000618575534 1125121619 /nfs/dbraw/zinc/12/16/19/1125121619.db2.gz OZIYUKNTMKMPPT-HOTGVXAUSA-N 1 2 346.333 3.974 20 5 EHBDLO COCC[N@H+](Cc1cccs1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000735494530 1131353480 /nfs/dbraw/zinc/35/34/80/1131353480.db2.gz ZUAXLJURYZQJHB-UHFFFAOYSA-N 1 2 340.832 3.958 20 5 EHBDLO COCC[N@@H+](Cc1cccs1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000735494530 1131353485 /nfs/dbraw/zinc/35/34/85/1131353485.db2.gz ZUAXLJURYZQJHB-UHFFFAOYSA-N 1 2 340.832 3.958 20 5 EHBDLO CCOc1cccc(NCCCCNc2cccc[nH+]2)c1[N+](=O)[O-] ZINC000183147968 1125451368 /nfs/dbraw/zinc/45/13/68/1125451368.db2.gz LSNDKNHYWTTYBE-UHFFFAOYSA-N 1 2 330.388 3.693 20 5 EHBDLO CC(C)(C)Oc1cc(N2CCC(n3cc[nH+]c3)CC2)ccc1[N+](=O)[O-] ZINC000301861851 1129227253 /nfs/dbraw/zinc/22/72/53/1129227253.db2.gz FZTKYAIPWWHHDU-UHFFFAOYSA-N 1 2 344.415 3.810 20 5 EHBDLO CCCC[C@H](CC)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032160858 1129978033 /nfs/dbraw/zinc/97/80/33/1129978033.db2.gz ODLURQMKHDLBIR-AWEZNQCLSA-N 1 2 344.415 3.727 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCCC(F)(F)CC2)ccc1Br ZINC000702827902 1130250328 /nfs/dbraw/zinc/25/03/28/1130250328.db2.gz OLIZJMNPIBCUHQ-UHFFFAOYSA-N 1 2 349.175 3.979 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@H+]2CCCC(F)(F)CC2)ccc1Br ZINC000702827902 1130250330 /nfs/dbraw/zinc/25/03/30/1130250330.db2.gz OLIZJMNPIBCUHQ-UHFFFAOYSA-N 1 2 349.175 3.979 20 5 EHBDLO Cn1c(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)nc2cc(F)ccc21 ZINC000736354984 1131418133 /nfs/dbraw/zinc/41/81/33/1131418133.db2.gz AUMKGRYQPCVPEK-UHFFFAOYSA-N 1 2 348.765 3.564 20 5 EHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC2(CCCC2)OC[C@H]1C ZINC001174852600 1132487525 /nfs/dbraw/zinc/48/75/25/1132487525.db2.gz DTJIQGDAGNOZBA-OAHLLOKOSA-N 1 2 348.443 3.916 20 5 EHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC2(CCCC2)OC[C@H]1C ZINC001174852600 1132487530 /nfs/dbraw/zinc/48/75/30/1132487530.db2.gz DTJIQGDAGNOZBA-OAHLLOKOSA-N 1 2 348.443 3.916 20 5 EHBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCc2nc[nH]c2C12CCCCC2 ZINC001176112709 1132849757 /nfs/dbraw/zinc/84/97/57/1132849757.db2.gz AZPIQUTXKKPOGS-UHFFFAOYSA-N 1 2 344.390 3.675 20 5 EHBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCc2nc[nH]c2C12CCCCC2 ZINC001176112709 1132849764 /nfs/dbraw/zinc/84/97/64/1132849764.db2.gz AZPIQUTXKKPOGS-UHFFFAOYSA-N 1 2 344.390 3.675 20 5 EHBDLO O=[N+]([O-])c1cccc([N+](=O)[O-])c1Nc1ccc(NC2CCCC2)[nH+]c1 ZINC001185170912 1134043073 /nfs/dbraw/zinc/04/30/73/1134043073.db2.gz QHUJWGBTHUFQDD-UHFFFAOYSA-N 1 2 343.343 3.996 20 5 EHBDLO C[C@@]12CC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@@H]1C2(Cl)Cl ZINC000792908812 1134820344 /nfs/dbraw/zinc/82/03/44/1134820344.db2.gz MQTPEFRSPPUGPW-QWHCGFSZSA-N 1 2 333.190 3.750 20 5 EHBDLO C[C@@]12CC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@@H]1C2(Cl)Cl ZINC000792908812 1134820353 /nfs/dbraw/zinc/82/03/53/1134820353.db2.gz MQTPEFRSPPUGPW-QWHCGFSZSA-N 1 2 333.190 3.750 20 5 EHBDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000804461420 1135076867 /nfs/dbraw/zinc/07/68/67/1135076867.db2.gz GXPGVLGJLAXPKP-ZDUSSCGKSA-N 1 2 346.818 3.526 20 5 EHBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@@H](CO)c1ccsc1 ZINC000809979565 1135908238 /nfs/dbraw/zinc/90/82/38/1135908238.db2.gz YTKAUGLXSPOYND-LBPRGKRZSA-N 1 2 347.223 3.786 20 5 EHBDLO CCOc1ccccc1C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000338995265 1136785189 /nfs/dbraw/zinc/78/51/89/1136785189.db2.gz DSMWFDAERGVUIH-UHFFFAOYSA-N 1 2 330.384 3.634 20 5 EHBDLO CCOc1ccccc1C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000338995265 1136785192 /nfs/dbraw/zinc/78/51/92/1136785192.db2.gz DSMWFDAERGVUIH-UHFFFAOYSA-N 1 2 330.384 3.634 20 5 EHBDLO Cc1nc(C(C)C)ccc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000339016043 1136995956 /nfs/dbraw/zinc/99/59/56/1136995956.db2.gz XZQTXAXPSIYGNM-UHFFFAOYSA-N 1 2 325.412 3.980 20 5 EHBDLO Cc1nc(C(C)C)ccc1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000339016043 1136995958 /nfs/dbraw/zinc/99/59/58/1136995958.db2.gz XZQTXAXPSIYGNM-UHFFFAOYSA-N 1 2 325.412 3.980 20 5 EHBDLO C[C@H](O)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1F ZINC000846019285 1137326285 /nfs/dbraw/zinc/32/62/85/1137326285.db2.gz YENVNXHWAHYDIK-MGPLVRAMSA-N 1 2 338.766 3.599 20 5 EHBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2cnc(Cl)c(F)c2)C2CC2)c1 ZINC000846819496 1137369545 /nfs/dbraw/zinc/36/95/45/1137369545.db2.gz YUGDLLJYOKKKKA-UHFFFAOYSA-N 1 2 335.766 3.947 20 5 EHBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2cnc(Cl)c(F)c2)C2CC2)c1 ZINC000846819496 1137369547 /nfs/dbraw/zinc/36/95/47/1137369547.db2.gz YUGDLLJYOKKKKA-UHFFFAOYSA-N 1 2 335.766 3.947 20 5 EHBDLO CCCOc1ccc(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])cn1 ZINC000872034388 1137566696 /nfs/dbraw/zinc/56/66/96/1137566696.db2.gz HZNQKOMUFBHMLL-GFCCVEGCSA-N 1 2 333.363 3.769 20 5 EHBDLO COc1ccc([C@@H]2C[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])CCO2)cc1 ZINC000879633603 1137753066 /nfs/dbraw/zinc/75/30/66/1137753066.db2.gz IWPNYFUKFUFQLP-LIRRHRJNSA-N 1 2 342.395 3.738 20 5 EHBDLO COc1ccc([C@@H]2C[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])CCO2)cc1 ZINC000879633603 1137753067 /nfs/dbraw/zinc/75/30/67/1137753067.db2.gz IWPNYFUKFUFQLP-LIRRHRJNSA-N 1 2 342.395 3.738 20 5 EHBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nnc(C3CC3)n2C2CC2)cc1[N+](=O)[O-] ZINC000181763113 1139929241 /nfs/dbraw/zinc/92/92/41/1139929241.db2.gz ZPFMBBCOQQGQHQ-GFCCVEGCSA-N 1 2 341.415 3.558 20 5 EHBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCCc3cn[nH]c32)o1 ZINC000268844525 1141006378 /nfs/dbraw/zinc/00/63/78/1141006378.db2.gz OJFSSHVTPVUQDJ-HNNXBMFYSA-N 1 2 338.367 3.745 20 5 EHBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCCc3c[nH]nc32)o1 ZINC000268844525 1141006384 /nfs/dbraw/zinc/00/63/84/1141006384.db2.gz OJFSSHVTPVUQDJ-HNNXBMFYSA-N 1 2 338.367 3.745 20 5 EHBDLO CC[C@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1nc(C)cs1 ZINC000430195003 1014799982 /nfs/dbraw/zinc/79/99/82/1014799982.db2.gz MCJYUAYUFAGOBR-INIZCTEOSA-N 1 2 335.429 3.783 20 5 EHBDLO CC[C@@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000602118549 1032645830 /nfs/dbraw/zinc/64/58/30/1032645830.db2.gz UNMPUWWEEPGBMC-IAGOWNOFSA-N 1 2 344.415 3.646 20 5 EHBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000377733455 1018290021 /nfs/dbraw/zinc/29/00/21/1018290021.db2.gz WPSNKBSMLRTNIP-CYBMUJFWSA-N 1 2 341.198 3.545 20 5 EHBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000377733455 1018290031 /nfs/dbraw/zinc/29/00/31/1018290031.db2.gz WPSNKBSMLRTNIP-CYBMUJFWSA-N 1 2 341.198 3.545 20 5 EHBDLO CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449562677 1032810380 /nfs/dbraw/zinc/81/03/80/1032810380.db2.gz MZTANIHSUAXSSC-ZDUSSCGKSA-N 1 2 340.383 3.922 20 5 EHBDLO O=[N+]([O-])c1ccc(N2CCC[C@H](n3cc[nH+]c3)C2)cc1C(F)(F)F ZINC000610468591 1020273947 /nfs/dbraw/zinc/27/39/47/1020273947.db2.gz LLSFGTPLFZGQLA-LBPRGKRZSA-N 1 2 340.305 3.652 20 5 EHBDLO Cc1ccc2c(c1C)OC[C@H]2[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602506821 1032941372 /nfs/dbraw/zinc/94/13/72/1032941372.db2.gz QDWXMUCPDLTAKN-OAHLLOKOSA-N 1 2 339.351 3.576 20 5 EHBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000126732928 1021343353 /nfs/dbraw/zinc/34/33/53/1021343353.db2.gz LPJNQLNJZUCCJG-SCLBCKFNSA-N 1 2 330.359 3.696 20 5 EHBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000126732928 1021343367 /nfs/dbraw/zinc/34/33/67/1021343367.db2.gz LPJNQLNJZUCCJG-SCLBCKFNSA-N 1 2 330.359 3.696 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)cs1 ZINC000052866463 1021820043 /nfs/dbraw/zinc/82/00/43/1021820043.db2.gz BQQAGZQMLZBQDE-INIZCTEOSA-N 1 2 332.425 3.838 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)cs1 ZINC000052866463 1021820049 /nfs/dbraw/zinc/82/00/49/1021820049.db2.gz BQQAGZQMLZBQDE-INIZCTEOSA-N 1 2 332.425 3.838 20 5 EHBDLO CC1(C)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@](C)(C(F)(F)F)O1 ZINC000550239598 1022832949 /nfs/dbraw/zinc/83/29/49/1022832949.db2.gz SSKZYULSHOFFGG-OAHLLOKOSA-N 1 2 346.349 3.569 20 5 EHBDLO CC1(C)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@](C)(C(F)(F)F)O1 ZINC000550239598 1022832968 /nfs/dbraw/zinc/83/29/68/1022832968.db2.gz SSKZYULSHOFFGG-OAHLLOKOSA-N 1 2 346.349 3.569 20 5 EHBDLO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1c(F)cccc1F ZINC000507263902 1023218064 /nfs/dbraw/zinc/21/80/64/1023218064.db2.gz PWRXMXHVISHMPT-UHFFFAOYSA-N 1 2 336.338 3.774 20 5 EHBDLO CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1c(F)cccc1F ZINC000507263902 1023218075 /nfs/dbraw/zinc/21/80/75/1023218075.db2.gz PWRXMXHVISHMPT-UHFFFAOYSA-N 1 2 336.338 3.774 20 5 EHBDLO O=[N+]([O-])c1c2ccncc2ccc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895346574 1024345055 /nfs/dbraw/zinc/34/50/55/1024345055.db2.gz JHPUCEKJSSMYPU-UHFFFAOYSA-N 1 2 349.394 3.619 20 5 EHBDLO C[NH+](C)Cc1csc(CNc2ccc(C(F)F)cc2[N+](=O)[O-])n1 ZINC000895481124 1024552374 /nfs/dbraw/zinc/55/23/74/1024552374.db2.gz PYSHJUNFGIZEAC-UHFFFAOYSA-N 1 2 342.371 3.663 20 5 EHBDLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000078709003 1025228596 /nfs/dbraw/zinc/22/85/96/1025228596.db2.gz ULSCOEYZANEMML-UHFFFAOYSA-N 1 2 342.742 3.686 20 5 EHBDLO Cc1cn2cc(NC(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)ccc2[nH+]1 ZINC000439106246 1025733166 /nfs/dbraw/zinc/73/31/66/1025733166.db2.gz HBUHASIKWWYBRY-UHFFFAOYSA-N 1 2 338.367 3.927 20 5 EHBDLO CO[C@@H](C)c1nc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cs1 ZINC000531721640 1027269684 /nfs/dbraw/zinc/26/96/84/1027269684.db2.gz JWCHFAYKRRBHOE-RYUDHWBXSA-N 1 2 335.429 3.918 20 5 EHBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cc(Cl)ccc3F)nc2c1 ZINC000446837557 1029807381 /nfs/dbraw/zinc/80/73/81/1029807381.db2.gz YCAYJGWTKIQYER-UHFFFAOYSA-N 1 2 334.738 3.553 20 5 EHBDLO CCc1cccc(Cl)c1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446849163 1029817381 /nfs/dbraw/zinc/81/73/81/1029817381.db2.gz WIFCGGSEYKMCJU-UHFFFAOYSA-N 1 2 344.802 3.977 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccnn2-c2ccccc2)C2CC2)cc1 ZINC000448217777 1030804801 /nfs/dbraw/zinc/80/48/01/1030804801.db2.gz PJOWLAKBUPUFHK-UHFFFAOYSA-N 1 2 348.406 3.945 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccnn2-c2ccccc2)C2CC2)cc1 ZINC000448217777 1030804816 /nfs/dbraw/zinc/80/48/16/1030804816.db2.gz PJOWLAKBUPUFHK-UHFFFAOYSA-N 1 2 348.406 3.945 20 5 EHBDLO CC[C@H]1CCCCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449966589 1033510127 /nfs/dbraw/zinc/51/01/27/1033510127.db2.gz HSAPTJLYVJJWCJ-HNNXBMFYSA-N 1 2 342.399 3.575 20 5 EHBDLO C[C@@H](c1c(F)cccc1F)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000604435428 1034376613 /nfs/dbraw/zinc/37/66/13/1034376613.db2.gz WCVCLDYZPLORFI-LBPRGKRZSA-N 1 2 336.338 3.945 20 5 EHBDLO C[C@@H](c1c(F)cccc1F)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000604435428 1034376626 /nfs/dbraw/zinc/37/66/26/1034376626.db2.gz WCVCLDYZPLORFI-LBPRGKRZSA-N 1 2 336.338 3.945 20 5 EHBDLO O=[N+]([O-])c1cc(NCCNc2cccc[nH+]2)ccc1C(F)(F)F ZINC000589104459 1036252437 /nfs/dbraw/zinc/25/24/37/1036252437.db2.gz ZBMBRBCGKRMRLA-UHFFFAOYSA-N 1 2 326.278 3.533 20 5 EHBDLO CCC[C@@H]([NH2+]Cc1nccc(OC)c1F)c1cccc([N+](=O)[O-])c1 ZINC000595078711 1037302186 /nfs/dbraw/zinc/30/21/86/1037302186.db2.gz AESUKTDMVIVFEF-CQSZACIVSA-N 1 2 333.363 3.769 20 5 EHBDLO CCc1ccc([C@H]([NH2+]Cc2ccn(C)c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542475751 1038021111 /nfs/dbraw/zinc/02/11/11/1038021111.db2.gz HDOKPTPQOVUFBB-LJQANCHMSA-N 1 2 339.395 3.968 20 5 EHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](Cc1cccnc1)C1CC1 ZINC000124729340 1038228313 /nfs/dbraw/zinc/22/83/13/1038228313.db2.gz JAFYOXVMPZANBZ-UHFFFAOYSA-N 1 2 341.411 3.942 20 5 EHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](Cc1cccnc1)C1CC1 ZINC000124729340 1038228323 /nfs/dbraw/zinc/22/83/23/1038228323.db2.gz JAFYOXVMPZANBZ-UHFFFAOYSA-N 1 2 341.411 3.942 20 5 EHBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2c(F)cccc2N2CCCC2)c(F)c1 ZINC000512568291 1040155177 /nfs/dbraw/zinc/15/51/77/1040155177.db2.gz GYFQOUJXSNPPNZ-UHFFFAOYSA-N 1 2 347.365 3.763 20 5 EHBDLO COc1ccc(C[N@H+](C)[C@@H](C)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000487826700 1041117042 /nfs/dbraw/zinc/11/70/42/1041117042.db2.gz WBJROTYXKSSUPO-ZDUSSCGKSA-N 1 2 330.384 3.805 20 5 EHBDLO COc1ccc(C[N@@H+](C)[C@@H](C)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000487826700 1041117049 /nfs/dbraw/zinc/11/70/49/1041117049.db2.gz WBJROTYXKSSUPO-ZDUSSCGKSA-N 1 2 330.384 3.805 20 5 EHBDLO O=[N+]([O-])c1cccc2c(NCc3cccc(-n4cc[nH+]c4)c3)ccnc21 ZINC000432343743 1042978068 /nfs/dbraw/zinc/97/80/68/1042978068.db2.gz ZYNVFCBRLDINDB-UHFFFAOYSA-N 1 2 345.362 3.941 20 5 EHBDLO COc1cc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)ccc1O ZINC000182132119 1043882899 /nfs/dbraw/zinc/88/28/99/1043882899.db2.gz CVEIHJXHWMGOHE-UHFFFAOYSA-N 1 2 336.775 3.594 20 5 EHBDLO COc1cc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)ccc1O ZINC000182132119 1043882914 /nfs/dbraw/zinc/88/29/14/1043882914.db2.gz CVEIHJXHWMGOHE-UHFFFAOYSA-N 1 2 336.775 3.594 20 5 EHBDLO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083225688 1127236599 /nfs/dbraw/zinc/23/65/99/1127236599.db2.gz BBZYILGLBODQSF-INIZCTEOSA-N 1 2 340.383 3.802 20 5 EHBDLO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083225688 1127236603 /nfs/dbraw/zinc/23/66/03/1127236603.db2.gz BBZYILGLBODQSF-INIZCTEOSA-N 1 2 340.383 3.802 20 5 EHBDLO Cc1ccc(NC(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000153268197 1121548717 /nfs/dbraw/zinc/54/87/17/1121548717.db2.gz KJQUKLCVXDVVJC-UHFFFAOYSA-N 1 2 339.395 3.506 20 5 EHBDLO Cc1ccc(NC(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000153268197 1121548726 /nfs/dbraw/zinc/54/87/26/1121548726.db2.gz KJQUKLCVXDVVJC-UHFFFAOYSA-N 1 2 339.395 3.506 20 5 EHBDLO O=[N+]([O-])c1cc(F)ccc1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000301118302 1121948071 /nfs/dbraw/zinc/94/80/71/1121948071.db2.gz VLVQAOYIFWKUNS-UHFFFAOYSA-N 1 2 330.363 3.731 20 5 EHBDLO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000556271029 1122908796 /nfs/dbraw/zinc/90/87/96/1122908796.db2.gz WKAFZWKVJQCKDE-ADLMAVQZSA-N 1 2 348.349 3.697 20 5 EHBDLO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000556271029 1122908799 /nfs/dbraw/zinc/90/87/99/1122908799.db2.gz WKAFZWKVJQCKDE-ADLMAVQZSA-N 1 2 348.349 3.697 20 5 EHBDLO CC(C)Cn1cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000183062861 1125428818 /nfs/dbraw/zinc/42/88/18/1125428818.db2.gz RVZQLAIVDKBVAE-UHFFFAOYSA-N 1 2 328.416 3.612 20 5 EHBDLO CC(C)Cn1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000183062861 1125428820 /nfs/dbraw/zinc/42/88/20/1125428820.db2.gz RVZQLAIVDKBVAE-UHFFFAOYSA-N 1 2 328.416 3.612 20 5 EHBDLO CC(C)(C)c1n[nH]cc1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154315203 1129549469 /nfs/dbraw/zinc/54/94/69/1129549469.db2.gz NAHWJJISVCMESU-UHFFFAOYSA-N 1 2 328.416 3.780 20 5 EHBDLO CC(C)(C)c1n[nH]cc1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154315203 1129549471 /nfs/dbraw/zinc/54/94/71/1129549471.db2.gz NAHWJJISVCMESU-UHFFFAOYSA-N 1 2 328.416 3.780 20 5 EHBDLO C[C@H](CCO)[N@H+](Cc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000093311008 1129583647 /nfs/dbraw/zinc/58/36/47/1129583647.db2.gz KFZUVFBORBLEIM-CQSZACIVSA-N 1 2 332.375 3.507 20 5 EHBDLO C[C@H](CCO)[N@@H+](Cc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000093311008 1129583650 /nfs/dbraw/zinc/58/36/50/1129583650.db2.gz KFZUVFBORBLEIM-CQSZACIVSA-N 1 2 332.375 3.507 20 5 EHBDLO CCOc1ccc(C(=O)Nc2c(C)cc(C)[nH+]c2C)cc1[N+](=O)[O-] ZINC000097213845 1129760993 /nfs/dbraw/zinc/76/09/93/1129760993.db2.gz KXQYRDWBVXRGHV-UHFFFAOYSA-N 1 2 329.356 3.566 20 5 EHBDLO C[C@H]1C[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCS1 ZINC000131311386 1129783832 /nfs/dbraw/zinc/78/38/32/1129783832.db2.gz BJZRPAVYXUKLAQ-NSHDSACASA-N 1 2 335.454 3.656 20 5 EHBDLO C[C@H]1C[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCS1 ZINC000131311386 1129783834 /nfs/dbraw/zinc/78/38/34/1129783834.db2.gz BJZRPAVYXUKLAQ-NSHDSACASA-N 1 2 335.454 3.656 20 5 EHBDLO COc1cc(NCc2ccccc2-n2cc[nH+]c2)c(F)cc1[N+](=O)[O-] ZINC000302690089 1129786160 /nfs/dbraw/zinc/78/61/60/1129786160.db2.gz UXKRSAIAMMTKFU-UHFFFAOYSA-N 1 2 342.330 3.540 20 5 EHBDLO CC[N@H+](Cc1ccc(OC)cc1OC)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000746144513 1132383981 /nfs/dbraw/zinc/38/39/81/1132383981.db2.gz XCQZEFJNJHEDFE-UHFFFAOYSA-N 1 2 348.374 3.773 20 5 EHBDLO CC[N@@H+](Cc1ccc(OC)cc1OC)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000746144513 1132383990 /nfs/dbraw/zinc/38/39/90/1132383990.db2.gz XCQZEFJNJHEDFE-UHFFFAOYSA-N 1 2 348.374 3.773 20 5 EHBDLO CCOC(=O)c1c[nH+]c(N)n1-c1c2ccccc2cc2ccccc21 ZINC001175351976 1132645277 /nfs/dbraw/zinc/64/52/77/1132645277.db2.gz FUHCOPLAOGFFJX-UHFFFAOYSA-N 1 2 331.375 3.938 20 5 EHBDLO O=[N+]([O-])c1c(NCCCCn2cc[nH+]c2)cccc1C(F)(F)F ZINC001185969052 1134155893 /nfs/dbraw/zinc/15/58/93/1134155893.db2.gz KRNDOMIKFJMLHT-UHFFFAOYSA-N 1 2 328.294 3.702 20 5 EHBDLO CCN(CC)c1ccc(N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c[nH+]1 ZINC000788708973 1134161281 /nfs/dbraw/zinc/16/12/81/1134161281.db2.gz BZIZTDVHCVYYKQ-LBPRGKRZSA-N 1 2 329.404 3.591 20 5 EHBDLO Cc1cc(F)ccc1C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000775110049 1134323948 /nfs/dbraw/zinc/32/39/48/1134323948.db2.gz VJLBALITQZZPHT-UHFFFAOYSA-N 1 2 333.319 3.583 20 5 EHBDLO Cc1cc(F)ccc1C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000775110049 1134323952 /nfs/dbraw/zinc/32/39/52/1134323952.db2.gz VJLBALITQZZPHT-UHFFFAOYSA-N 1 2 333.319 3.583 20 5 EHBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@H+](Cc2c(F)cccc2F)C2CC2)cc1 ZINC000792323646 1134679668 /nfs/dbraw/zinc/67/96/68/1134679668.db2.gz UPMIXJBVZMPXOM-GOSISDBHSA-N 1 2 348.349 3.571 20 5 EHBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+](Cc2c(F)cccc2F)C2CC2)cc1 ZINC000792323646 1134679672 /nfs/dbraw/zinc/67/96/72/1134679672.db2.gz UPMIXJBVZMPXOM-GOSISDBHSA-N 1 2 348.349 3.571 20 5 EHBDLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792876456 1134809799 /nfs/dbraw/zinc/80/97/99/1134809799.db2.gz NEHCLWRWHPRATO-MWLCHTKSSA-N 1 2 347.293 3.666 20 5 EHBDLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792876456 1134809804 /nfs/dbraw/zinc/80/98/04/1134809804.db2.gz NEHCLWRWHPRATO-MWLCHTKSSA-N 1 2 347.293 3.666 20 5 EHBDLO Cn1cnc2cc(C[N@H+](C)Cc3cc([N+](=O)[O-])ccc3Cl)ccc21 ZINC000775645205 1135393417 /nfs/dbraw/zinc/39/34/17/1135393417.db2.gz ZSUKUPLHONXHOJ-UHFFFAOYSA-N 1 2 344.802 3.767 20 5 EHBDLO Cn1cnc2cc(C[N@@H+](C)Cc3cc([N+](=O)[O-])ccc3Cl)ccc21 ZINC000775645205 1135393423 /nfs/dbraw/zinc/39/34/23/1135393423.db2.gz ZSUKUPLHONXHOJ-UHFFFAOYSA-N 1 2 344.802 3.767 20 5 EHBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000809969657 1135905102 /nfs/dbraw/zinc/90/51/02/1135905102.db2.gz ZOGYDKFHILEFCK-ZETCQYMHSA-N 1 2 325.142 3.989 20 5 EHBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H](C(F)F)C1 ZINC000809969657 1135905105 /nfs/dbraw/zinc/90/51/05/1135905105.db2.gz ZOGYDKFHILEFCK-ZETCQYMHSA-N 1 2 325.142 3.989 20 5 EHBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@H](CO)c1ccsc1 ZINC000809979564 1135908051 /nfs/dbraw/zinc/90/80/51/1135908051.db2.gz YTKAUGLXSPOYND-GFCCVEGCSA-N 1 2 347.223 3.786 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1Cl ZINC000811518092 1136098084 /nfs/dbraw/zinc/09/80/84/1136098084.db2.gz GLCNEUZUEHBGDX-CVEARBPZSA-N 1 2 336.819 3.782 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1Cl ZINC000811518092 1136098087 /nfs/dbraw/zinc/09/80/87/1136098087.db2.gz GLCNEUZUEHBGDX-CVEARBPZSA-N 1 2 336.819 3.782 20 5 EHBDLO CN(C)c1cc(COc2cc(Cl)c(Cl)cc2[N+](=O)[O-])cc[nH+]1 ZINC000794495444 1137172344 /nfs/dbraw/zinc/17/23/44/1137172344.db2.gz SETYOEQNMDQLKV-UHFFFAOYSA-N 1 2 342.182 3.942 20 5 EHBDLO C[C@@H](O)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1F ZINC000846019291 1137326342 /nfs/dbraw/zinc/32/63/42/1137326342.db2.gz YENVNXHWAHYDIK-QLJPJBMISA-N 1 2 338.766 3.599 20 5 EHBDLO COCCOc1ccccc1C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872024376 1137565599 /nfs/dbraw/zinc/56/55/99/1137565599.db2.gz RFHXAUNSVQAUSL-ZDUSSCGKSA-N 1 2 348.374 3.610 20 5 EHBDLO Cc1noc(C[NH2+]C(C)(C)c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000880385184 1137777377 /nfs/dbraw/zinc/77/73/77/1137777377.db2.gz JFRPRURDCQILKG-UHFFFAOYSA-N 1 2 343.305 3.935 20 5 EHBDLO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1cccnc1[N+](=O)[O-])CCC2 ZINC000886077333 1138038632 /nfs/dbraw/zinc/03/86/32/1138038632.db2.gz YJEFGCIFIYMFAF-CYBMUJFWSA-N 1 2 332.429 3.518 20 5 EHBDLO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1cccnc1[N+](=O)[O-])CCC2 ZINC000886077333 1138038635 /nfs/dbraw/zinc/03/86/35/1138038635.db2.gz YJEFGCIFIYMFAF-CYBMUJFWSA-N 1 2 332.429 3.518 20 5 EHBDLO C[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F ZINC000886157659 1138053776 /nfs/dbraw/zinc/05/37/76/1138053776.db2.gz HWUWLOHRXOSLDX-SNVBAGLBSA-N 1 2 347.325 3.585 20 5 EHBDLO Cc1cccnc1[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)C ZINC000083174545 1138174816 /nfs/dbraw/zinc/17/48/16/1138174816.db2.gz WIDYOVBZQZGWPH-KRWDZBQOSA-N 1 2 340.383 3.926 20 5 EHBDLO COc1cc(C[NH2+]C(C)(C)c2nc(C)cs2)c([N+](=O)[O-])cc1F ZINC000184260737 1140090871 /nfs/dbraw/zinc/09/08/71/1140090871.db2.gz KBBZILSUTDLNAI-UHFFFAOYSA-N 1 2 339.392 3.532 20 5 EHBDLO CC(C)c1nc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)no1 ZINC000267058111 1140755212 /nfs/dbraw/zinc/75/52/12/1140755212.db2.gz SOEJCSIOHNKOAE-UHFFFAOYSA-N 1 2 348.378 3.620 20 5 EHBDLO CO[C@@H](C)c1nc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cs1 ZINC000269109197 1141066209 /nfs/dbraw/zinc/06/62/09/1141066209.db2.gz VJSINOYHUCNPCZ-NEPJUHHUSA-N 1 2 335.429 3.918 20 5 EHBDLO CC[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000339189219 1141523069 /nfs/dbraw/zinc/52/30/69/1141523069.db2.gz MNODSBNLXWLRDH-OAHLLOKOSA-N 1 2 346.383 3.559 20 5 EHBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000538475219 1032394995 /nfs/dbraw/zinc/39/49/95/1032394995.db2.gz ASXOFMTUONGBNC-BEFAXECRSA-N 1 2 326.396 3.599 20 5 EHBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000538475219 1032395004 /nfs/dbraw/zinc/39/50/04/1032395004.db2.gz ASXOFMTUONGBNC-BEFAXECRSA-N 1 2 326.396 3.599 20 5 EHBDLO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000172308592 1032580910 /nfs/dbraw/zinc/58/09/10/1032580910.db2.gz NUZIGPADKNLFHC-UHFFFAOYSA-N 1 2 348.349 3.916 20 5 EHBDLO O=[N+]([O-])c1ccc2nc(NC3CCN(c4cccc[nH+]4)CC3)ccc2c1 ZINC000076772159 1032629865 /nfs/dbraw/zinc/62/98/65/1032629865.db2.gz ZXAJKAUOJGIJFW-UHFFFAOYSA-N 1 2 349.394 3.619 20 5 EHBDLO COc1cc(CNc2ccc3c(c2)CCC[NH2+]3)c([N+](=O)[O-])cc1OC ZINC000414847339 1017239533 /nfs/dbraw/zinc/23/95/33/1017239533.db2.gz JAJYBMNJJGXBLN-UHFFFAOYSA-N 1 2 343.383 3.582 20 5 EHBDLO O=[N+]([O-])c1ccc(NCc2ccccc2-n2cc[nH+]c2)c2ccncc21 ZINC000091506302 1032707368 /nfs/dbraw/zinc/70/73/68/1032707368.db2.gz LVDMQCGNRBKYAH-UHFFFAOYSA-N 1 2 345.362 3.941 20 5 EHBDLO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602441377 1032890681 /nfs/dbraw/zinc/89/06/81/1032890681.db2.gz DNVVDGUFQLSWJL-VIFPVBQESA-N 1 2 343.214 3.828 20 5 EHBDLO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602441377 1032890691 /nfs/dbraw/zinc/89/06/91/1032890691.db2.gz DNVVDGUFQLSWJL-VIFPVBQESA-N 1 2 343.214 3.828 20 5 EHBDLO Cc1nc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])nc2ccccc12 ZINC000516313884 1021291901 /nfs/dbraw/zinc/29/19/01/1021291901.db2.gz YRIHTXRKWJHOQM-INIZCTEOSA-N 1 2 334.379 3.624 20 5 EHBDLO Cc1noc([C@@H](C)[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)n1 ZINC000356917856 1021452732 /nfs/dbraw/zinc/45/27/32/1021452732.db2.gz MCAQQJNUAJGLIJ-SNVBAGLBSA-N 1 2 344.396 3.866 20 5 EHBDLO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000518991402 1021758161 /nfs/dbraw/zinc/75/81/61/1021758161.db2.gz JGCQMTMRXJTXEI-ORAYPTAESA-N 1 2 342.395 3.892 20 5 EHBDLO COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000518991402 1021758174 /nfs/dbraw/zinc/75/81/74/1021758174.db2.gz JGCQMTMRXJTXEI-ORAYPTAESA-N 1 2 342.395 3.892 20 5 EHBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000437576264 1021962451 /nfs/dbraw/zinc/96/24/51/1021962451.db2.gz HPEAITRIBKOVNW-RDTXWAMCSA-N 1 2 339.395 3.677 20 5 EHBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000437576264 1021962452 /nfs/dbraw/zinc/96/24/52/1021962452.db2.gz HPEAITRIBKOVNW-RDTXWAMCSA-N 1 2 339.395 3.677 20 5 EHBDLO Cc1cccn2cc(C[N@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)nc12 ZINC000610864869 1023809238 /nfs/dbraw/zinc/80/92/38/1023809238.db2.gz NWUAQXAMKOGPCI-UHFFFAOYSA-N 1 2 336.395 3.716 20 5 EHBDLO Cc1cccn2cc(C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)nc12 ZINC000610864869 1023809245 /nfs/dbraw/zinc/80/92/45/1023809245.db2.gz NWUAQXAMKOGPCI-UHFFFAOYSA-N 1 2 336.395 3.716 20 5 EHBDLO Cc1cc(F)cc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1[N+](=O)[O-] ZINC000176213377 1023889183 /nfs/dbraw/zinc/88/91/83/1023889183.db2.gz VRVFCOSAPUXDLJ-UHFFFAOYSA-N 1 2 340.314 3.685 20 5 EHBDLO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1c(F)cccc1Cl ZINC000065208724 1023916067 /nfs/dbraw/zinc/91/60/67/1023916067.db2.gz MXOQRRCEPBNRJJ-UHFFFAOYSA-N 1 2 338.766 3.898 20 5 EHBDLO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1c(F)cccc1Cl ZINC000065208724 1023916075 /nfs/dbraw/zinc/91/60/75/1023916075.db2.gz MXOQRRCEPBNRJJ-UHFFFAOYSA-N 1 2 338.766 3.898 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000248616796 1025048085 /nfs/dbraw/zinc/04/80/85/1025048085.db2.gz MBTWCLVYGLKWIZ-CXAGYDPISA-N 1 2 332.425 3.927 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000248616796 1025048101 /nfs/dbraw/zinc/04/81/01/1025048101.db2.gz MBTWCLVYGLKWIZ-CXAGYDPISA-N 1 2 332.425 3.927 20 5 EHBDLO Cc1occc1C[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425407823 1025117775 /nfs/dbraw/zinc/11/77/75/1025117775.db2.gz QNKIMTJKGTZYOB-UHFFFAOYSA-N 1 2 339.189 3.891 20 5 EHBDLO Cc1occc1C[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425407823 1025117777 /nfs/dbraw/zinc/11/77/77/1025117777.db2.gz QNKIMTJKGTZYOB-UHFFFAOYSA-N 1 2 339.189 3.891 20 5 EHBDLO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444648096 1028111721 /nfs/dbraw/zinc/11/17/21/1028111721.db2.gz MQSQOGUXPIQMGO-QGZVFWFLSA-N 1 2 339.399 3.537 20 5 EHBDLO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444648096 1028111728 /nfs/dbraw/zinc/11/17/28/1028111728.db2.gz MQSQOGUXPIQMGO-QGZVFWFLSA-N 1 2 339.399 3.537 20 5 EHBDLO Cc1cc(C)c(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC000455480082 1028246162 /nfs/dbraw/zinc/24/61/62/1028246162.db2.gz HFHDUJIIHATVSR-UHFFFAOYSA-N 1 2 342.399 3.972 20 5 EHBDLO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3ccccc3Cl)CC2)c1 ZINC000016480767 1028614352 /nfs/dbraw/zinc/61/43/52/1028614352.db2.gz FQSSYADJQJSZLC-UHFFFAOYSA-N 1 2 331.803 3.570 20 5 EHBDLO COc1ccncc1C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000340402407 1028811502 /nfs/dbraw/zinc/81/15/02/1028811502.db2.gz FQYIYKWMIWBOEP-HXUWFJFHSA-N 1 2 349.390 3.878 20 5 EHBDLO COc1ncc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1Cl ZINC000532778087 1028822728 /nfs/dbraw/zinc/82/27/28/1028822728.db2.gz QQXKNKHIDMGBDS-UHFFFAOYSA-N 1 2 347.802 3.816 20 5 EHBDLO COc1ncc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1Cl ZINC000532778087 1028822741 /nfs/dbraw/zinc/82/27/41/1028822741.db2.gz QQXKNKHIDMGBDS-UHFFFAOYSA-N 1 2 347.802 3.816 20 5 EHBDLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)s1 ZINC000424337776 1028957844 /nfs/dbraw/zinc/95/78/44/1028957844.db2.gz ZXYBARXIMGUDGB-QWRGUYRKSA-N 1 2 349.412 3.558 20 5 EHBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](CCOc1ccccc1Cl)C2 ZINC000536000799 1029678565 /nfs/dbraw/zinc/67/85/65/1029678565.db2.gz NYQMXNWYQHXGPB-UHFFFAOYSA-N 1 2 332.787 3.685 20 5 EHBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCOc1ccccc1Cl)C2 ZINC000536000799 1029678569 /nfs/dbraw/zinc/67/85/69/1029678569.db2.gz NYQMXNWYQHXGPB-UHFFFAOYSA-N 1 2 332.787 3.685 20 5 EHBDLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2nc3cc([N+](=O)[O-])ccc3o2)n1 ZINC000159838127 1030394304 /nfs/dbraw/zinc/39/43/04/1030394304.db2.gz OVPKHMKOGCEQJD-INIZCTEOSA-N 1 2 338.367 3.777 20 5 EHBDLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2nc3cc([N+](=O)[O-])ccc3o2)n1 ZINC000159838127 1030394312 /nfs/dbraw/zinc/39/43/12/1030394312.db2.gz OVPKHMKOGCEQJD-INIZCTEOSA-N 1 2 338.367 3.777 20 5 EHBDLO O=[N+]([O-])c1ccc(-c2nc(-c3ccsc3)no2)cc1-n1cc[nH+]c1 ZINC000904298424 1031927394 /nfs/dbraw/zinc/92/73/94/1031927394.db2.gz BEZFHCDXDGUWCW-UHFFFAOYSA-N 1 2 339.336 3.559 20 5 EHBDLO CC(C)CN(CC(C)C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448967053 1031968370 /nfs/dbraw/zinc/96/83/70/1031968370.db2.gz BLXYZYHCRHEULD-UHFFFAOYSA-N 1 2 344.415 3.535 20 5 EHBDLO C[C@H]([NH2+]Cc1occc1Br)c1cccc([N+](=O)[O-])c1 ZINC000227367316 1033955098 /nfs/dbraw/zinc/95/50/98/1033955098.db2.gz POJGMQGAHUUZLQ-VIFPVBQESA-N 1 2 325.162 3.801 20 5 EHBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593119219 1033970825 /nfs/dbraw/zinc/97/08/25/1033970825.db2.gz VRWBSPDNSRLEHE-LBPRGKRZSA-N 1 2 347.159 3.588 20 5 EHBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593119219 1033970835 /nfs/dbraw/zinc/97/08/35/1033970835.db2.gz VRWBSPDNSRLEHE-LBPRGKRZSA-N 1 2 347.159 3.588 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000599620189 1034040049 /nfs/dbraw/zinc/04/00/49/1034040049.db2.gz QSQVNBAMNWMHMT-CYBMUJFWSA-N 1 2 338.411 3.690 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000599620189 1034040065 /nfs/dbraw/zinc/04/00/65/1034040065.db2.gz QSQVNBAMNWMHMT-CYBMUJFWSA-N 1 2 338.411 3.690 20 5 EHBDLO Cc1nc(Nc2ccc3c(c2)[nH+]c(C(C)(C)C)n3C)ncc1[N+](=O)[O-] ZINC000450412342 1034297172 /nfs/dbraw/zinc/29/71/72/1034297172.db2.gz QGSQTMNYRBTCKY-UHFFFAOYSA-N 1 2 340.387 3.621 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1CN[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000580737133 1035450336 /nfs/dbraw/zinc/45/03/36/1035450336.db2.gz NPOVHEQGLKGKDC-MRXNPFEDSA-N 1 2 327.428 3.513 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1CN[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000580737133 1035450338 /nfs/dbraw/zinc/45/03/38/1035450338.db2.gz NPOVHEQGLKGKDC-MRXNPFEDSA-N 1 2 327.428 3.513 20 5 EHBDLO O=[N+]([O-])c1cc(F)ccc1N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000580741921 1035450702 /nfs/dbraw/zinc/45/07/02/1035450702.db2.gz FCZZYMJDXUETPG-HDJSIYSDSA-N 1 2 330.363 3.964 20 5 EHBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCc3sccc3[C@@H]2C)c1 ZINC000589495071 1036436754 /nfs/dbraw/zinc/43/67/54/1036436754.db2.gz WBGDUFAWOQAWIP-NSHDSACASA-N 1 2 346.408 3.562 20 5 EHBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCc3sccc3[C@@H]2C)c1 ZINC000589495071 1036436763 /nfs/dbraw/zinc/43/67/63/1036436763.db2.gz WBGDUFAWOQAWIP-NSHDSACASA-N 1 2 346.408 3.562 20 5 EHBDLO CCO[C@@H](C)c1nc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000180430322 1036816423 /nfs/dbraw/zinc/81/64/23/1036816423.db2.gz KAVCPJRCYGZPPX-NEPJUHHUSA-N 1 2 335.429 4.000 20 5 EHBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+](CCCO)Cc1ccccc1 ZINC000493387186 1037311496 /nfs/dbraw/zinc/31/14/96/1037311496.db2.gz PUWSMXZTYWBXSD-UHFFFAOYSA-N 1 2 334.803 3.633 20 5 EHBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+](CCCO)Cc1ccccc1 ZINC000493387186 1037311513 /nfs/dbraw/zinc/31/15/13/1037311513.db2.gz PUWSMXZTYWBXSD-UHFFFAOYSA-N 1 2 334.803 3.633 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000485745264 1039506675 /nfs/dbraw/zinc/50/66/75/1039506675.db2.gz PJUGPNXEDNEACC-ZDUSSCGKSA-N 1 2 345.374 3.674 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000485745264 1039506687 /nfs/dbraw/zinc/50/66/87/1039506687.db2.gz PJUGPNXEDNEACC-ZDUSSCGKSA-N 1 2 345.374 3.674 20 5 EHBDLO COc1cccc(C2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)c1 ZINC000555334626 1040419641 /nfs/dbraw/zinc/41/96/41/1040419641.db2.gz ZHWDIMVIHMEMGE-UHFFFAOYSA-N 1 2 342.395 3.689 20 5 EHBDLO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2nccn2CC)cc1[N+](=O)[O-] ZINC000453337986 1040707574 /nfs/dbraw/zinc/70/75/74/1040707574.db2.gz FRFXQOMRSOBEDR-CHWSQXEVSA-N 1 2 332.404 3.622 20 5 EHBDLO COc1cc(NCc2cccc(-n3cc[nH+]c3)c2)c([N+](=O)[O-])cc1F ZINC000343907857 1042791585 /nfs/dbraw/zinc/79/15/85/1042791585.db2.gz PGEDTRDSRVLHKI-UHFFFAOYSA-N 1 2 342.330 3.540 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000183339489 1125526599 /nfs/dbraw/zinc/52/65/99/1125526599.db2.gz CBCYZIOVJMZSDN-UHFFFAOYSA-N 1 2 331.441 3.871 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000183339489 1125526608 /nfs/dbraw/zinc/52/66/08/1125526608.db2.gz CBCYZIOVJMZSDN-UHFFFAOYSA-N 1 2 331.441 3.871 20 5 EHBDLO Cc1ccnc(NCc2cc[nH+]c(N3CCCCCC3)c2)c1[N+](=O)[O-] ZINC000301310107 1127735681 /nfs/dbraw/zinc/73/56/81/1127735681.db2.gz YUNLEPJVSUNSMQ-UHFFFAOYSA-N 1 2 341.415 3.686 20 5 EHBDLO O=C(CC[N@@H+]1Cc2cccc(Cl)c2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000347460087 1121825744 /nfs/dbraw/zinc/82/57/44/1121825744.db2.gz RSDXOLFHIDVKAO-UHFFFAOYSA-N 1 2 345.786 3.593 20 5 EHBDLO O=C(CC[N@H+]1Cc2cccc(Cl)c2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000347460087 1121825754 /nfs/dbraw/zinc/82/57/54/1121825754.db2.gz RSDXOLFHIDVKAO-UHFFFAOYSA-N 1 2 345.786 3.593 20 5 EHBDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccsc1 ZINC000619783644 1125404052 /nfs/dbraw/zinc/40/40/52/1125404052.db2.gz WCRHIBRWSBWMRP-SNVBAGLBSA-N 1 2 330.369 3.557 20 5 EHBDLO COc1ccc2c(c1)OCC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000619846367 1125416235 /nfs/dbraw/zinc/41/62/35/1125416235.db2.gz NGIIDTCVYNTWLW-GQCTYLIASA-N 1 2 340.379 3.511 20 5 EHBDLO COc1ccc2c(c1)OCC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000619846367 1125416237 /nfs/dbraw/zinc/41/62/37/1125416237.db2.gz NGIIDTCVYNTWLW-GQCTYLIASA-N 1 2 340.379 3.511 20 5 EHBDLO CCOC(=O)c1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC000154296936 1129547318 /nfs/dbraw/zinc/54/73/18/1129547318.db2.gz IDFOAPWEJHAYTO-UHFFFAOYSA-N 1 2 344.367 3.529 20 5 EHBDLO CCOC(=O)c1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC000154296936 1129547322 /nfs/dbraw/zinc/54/73/22/1129547322.db2.gz IDFOAPWEJHAYTO-UHFFFAOYSA-N 1 2 344.367 3.529 20 5 EHBDLO COc1cc(C[N@@H+]2C[C@H](C)[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000093867491 1129605676 /nfs/dbraw/zinc/60/56/76/1129605676.db2.gz LETJSUZTAXLHLD-DJJJIMSYSA-N 1 2 342.395 3.805 20 5 EHBDLO COc1cc(C[N@H+]2C[C@H](C)[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000093867491 1129605677 /nfs/dbraw/zinc/60/56/77/1129605677.db2.gz LETJSUZTAXLHLD-DJJJIMSYSA-N 1 2 342.395 3.805 20 5 EHBDLO C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccn1 ZINC000172111686 1130106554 /nfs/dbraw/zinc/10/65/54/1130106554.db2.gz QKPLZLYKDUINRT-GFCCVEGCSA-N 1 2 340.408 3.964 20 5 EHBDLO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Br)c1ccccn1 ZINC001176902121 1133013488 /nfs/dbraw/zinc/01/34/88/1133013488.db2.gz HOAPAPWSWVOKIB-JTQLQIEISA-N 1 2 336.189 3.603 20 5 EHBDLO CCOc1cc(F)cc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001180267173 1133353169 /nfs/dbraw/zinc/35/31/69/1133353169.db2.gz QTDDXTGBAKGLAK-UHFFFAOYSA-N 1 2 330.359 3.691 20 5 EHBDLO CCOc1cc(F)cc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001180267173 1133353173 /nfs/dbraw/zinc/35/31/73/1133353173.db2.gz QTDDXTGBAKGLAK-UHFFFAOYSA-N 1 2 330.359 3.691 20 5 EHBDLO COc1c(C)c[nH+]c(CN(C)c2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC001185088816 1134026141 /nfs/dbraw/zinc/02/61/41/1134026141.db2.gz OACIZNQEWFEDFA-UHFFFAOYSA-N 1 2 335.791 3.905 20 5 EHBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1c(Cl)cccc1Cl ZINC001190560100 1134718281 /nfs/dbraw/zinc/71/82/81/1134718281.db2.gz HGEKCDJJEOUHDA-UHFFFAOYSA-N 1 2 343.214 3.539 20 5 EHBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1c(Cl)cccc1Cl ZINC001190560100 1134718285 /nfs/dbraw/zinc/71/82/85/1134718285.db2.gz HGEKCDJJEOUHDA-UHFFFAOYSA-N 1 2 343.214 3.539 20 5 EHBDLO Cc1ccc(C[N@@H+]2CCC[C@]2(C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001196419133 1135561517 /nfs/dbraw/zinc/56/15/17/1135561517.db2.gz LBQIXONJPDVVSU-GOSISDBHSA-N 1 2 334.416 3.599 20 5 EHBDLO Cc1ccc(C[N@H+]2CCC[C@]2(C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001196419133 1135561520 /nfs/dbraw/zinc/56/15/20/1135561520.db2.gz LBQIXONJPDVVSU-GOSISDBHSA-N 1 2 334.416 3.599 20 5 EHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccc(OC)c(F)c1 ZINC000747530512 1135750548 /nfs/dbraw/zinc/75/05/48/1135750548.db2.gz NUKIJIODBOKHJZ-UHFFFAOYSA-N 1 2 348.374 3.773 20 5 EHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1ccc(OC)c(F)c1 ZINC000747530512 1135750551 /nfs/dbraw/zinc/75/05/51/1135750551.db2.gz NUKIJIODBOKHJZ-UHFFFAOYSA-N 1 2 348.374 3.773 20 5 EHBDLO C[C@H](O)[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1F ZINC000846019288 1137326421 /nfs/dbraw/zinc/32/64/21/1137326421.db2.gz YENVNXHWAHYDIK-QFYYESIMSA-N 1 2 338.766 3.599 20 5 EHBDLO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000872075468 1137569914 /nfs/dbraw/zinc/56/99/14/1137569914.db2.gz CTZJCPJXJDBJIT-MJVIPROJSA-N 1 2 332.429 3.870 20 5 EHBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc[nH+]1 ZINC000073053754 1138110455 /nfs/dbraw/zinc/11/04/55/1138110455.db2.gz JOYYJOOINLJXRB-UHFFFAOYSA-N 1 2 340.383 3.541 20 5 EHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccncc1F ZINC000338358745 1138854509 /nfs/dbraw/zinc/85/45/09/1138854509.db2.gz TVNZKWBFPKLUEZ-LBPRGKRZSA-N 1 2 333.363 3.767 20 5 EHBDLO CCC[C@@H]([NH2+]Cc1nnc2n1CCCCC2)c1cccc([N+](=O)[O-])c1 ZINC000178285743 1139684939 /nfs/dbraw/zinc/68/49/39/1139684939.db2.gz ITSIFNPWNRFKGP-MRXNPFEDSA-N 1 2 343.431 3.544 20 5 EHBDLO CC[C@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000184404643 1140100801 /nfs/dbraw/zinc/10/08/01/1140100801.db2.gz GAYIBOWTLKUOBL-LBPRGKRZSA-N 1 2 339.392 3.748 20 5 EHBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ncc(C4CC4)o3)CC2)cc1 ZINC000270530784 1141236173 /nfs/dbraw/zinc/23/61/73/1141236173.db2.gz FKFIWDHIYZUCDD-UHFFFAOYSA-N 1 2 343.383 3.504 20 5 EHBDLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000041867744 1014134924 /nfs/dbraw/zinc/13/49/24/1014134924.db2.gz LLRNARYILFFFAN-UHFFFAOYSA-N 1 2 342.399 3.575 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000183272646 1125498400 /nfs/dbraw/zinc/49/84/00/1125498400.db2.gz GDZGFIIAHZIVAZ-GOSISDBHSA-N 1 2 330.359 3.616 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000183272646 1125498404 /nfs/dbraw/zinc/49/84/04/1125498404.db2.gz GDZGFIIAHZIVAZ-GOSISDBHSA-N 1 2 330.359 3.616 20 5 EHBDLO CC[C@H]([NH2+]Cc1csc([C@H](C)OC)n1)c1cccc([N+](=O)[O-])c1 ZINC000165259750 1015818721 /nfs/dbraw/zinc/81/87/21/1015818721.db2.gz AWNJHYNISQSHGI-NHYWBVRUSA-N 1 2 335.429 4.000 20 5 EHBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2ccccc2Br)cs1 ZINC000042419278 1016316233 /nfs/dbraw/zinc/31/62/33/1016316233.db2.gz NUOVFOQXYGLGEG-UHFFFAOYSA-N 1 2 327.203 3.709 20 5 EHBDLO Cc1c(C[N@H+](C)Cc2nc3c(s2)CCCC3)cccc1[N+](=O)[O-] ZINC000175537579 1016345747 /nfs/dbraw/zinc/34/57/47/1016345747.db2.gz TXNPZOALCINZMR-UHFFFAOYSA-N 1 2 331.441 3.871 20 5 EHBDLO Cc1c(C[N@@H+](C)Cc2nc3c(s2)CCCC3)cccc1[N+](=O)[O-] ZINC000175537579 1016345755 /nfs/dbraw/zinc/34/57/55/1016345755.db2.gz TXNPZOALCINZMR-UHFFFAOYSA-N 1 2 331.441 3.871 20 5 EHBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000602152620 1032682882 /nfs/dbraw/zinc/68/28/82/1032682882.db2.gz QJOHDGDFBVQSNA-HNNXBMFYSA-N 1 2 330.388 3.634 20 5 EHBDLO Cc1c([C@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)cccc1[N+](=O)[O-] ZINC000167975217 1019550351 /nfs/dbraw/zinc/55/03/51/1019550351.db2.gz HCLVMBIBSNUXER-ZFWWWQNUSA-N 1 2 343.431 3.804 20 5 EHBDLO Cc1c(Cn2nc(C(F)(F)F)c3c[nH+]ccc32)cccc1[N+](=O)[O-] ZINC000156712797 1020280693 /nfs/dbraw/zinc/28/06/93/1020280693.db2.gz WOESFLXDJAXOGE-UHFFFAOYSA-N 1 2 336.273 3.715 20 5 EHBDLO C[N@H+](Cc1ccc(F)cc1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000506765652 1021971676 /nfs/dbraw/zinc/97/16/76/1021971676.db2.gz CCKDHKVEKLGULG-UHFFFAOYSA-N 1 2 340.301 3.967 20 5 EHBDLO C[N@@H+](Cc1ccc(F)cc1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000506765652 1021971681 /nfs/dbraw/zinc/97/16/81/1021971681.db2.gz CCKDHKVEKLGULG-UHFFFAOYSA-N 1 2 340.301 3.967 20 5 EHBDLO COc1c(O)ccc(C[N@H+](C)[C@@H](C)c2ccccc2F)c1[N+](=O)[O-] ZINC000891592119 1022002528 /nfs/dbraw/zinc/00/25/28/1022002528.db2.gz NLVYPNPSPBZQMW-NSHDSACASA-N 1 2 334.347 3.641 20 5 EHBDLO COc1c(O)ccc(C[N@@H+](C)[C@@H](C)c2ccccc2F)c1[N+](=O)[O-] ZINC000891592119 1022002543 /nfs/dbraw/zinc/00/25/43/1022002543.db2.gz NLVYPNPSPBZQMW-NSHDSACASA-N 1 2 334.347 3.641 20 5 EHBDLO O=[N+]([O-])c1cccc(F)c1NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000341746128 1023246216 /nfs/dbraw/zinc/24/62/16/1023246216.db2.gz XIHFJJWWGPENRH-UHFFFAOYSA-N 1 2 326.331 3.591 20 5 EHBDLO O=[N+]([O-])c1ccc(N2CCC(Nc3cccc[nH+]3)CC2)c2ncccc12 ZINC000895353263 1024367019 /nfs/dbraw/zinc/36/70/19/1024367019.db2.gz AFRPONCCZPCDEO-UHFFFAOYSA-N 1 2 349.394 3.619 20 5 EHBDLO CCC1(CC)C[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC[S@@]1=O ZINC000185272139 1024721946 /nfs/dbraw/zinc/72/19/46/1024721946.db2.gz HPADLINXUCBUMW-PSLXWICFSA-N 1 2 338.473 3.587 20 5 EHBDLO CCC1(CC)C[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC[S@@]1=O ZINC000185272139 1024721993 /nfs/dbraw/zinc/72/19/93/1024721993.db2.gz HPADLINXUCBUMW-PSLXWICFSA-N 1 2 338.473 3.587 20 5 EHBDLO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)[nH]1 ZINC000277369115 1024781022 /nfs/dbraw/zinc/78/10/22/1024781022.db2.gz WUIJNULDJIPNAQ-DRZSPHRISA-N 1 2 331.420 3.947 20 5 EHBDLO Cc1sc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1[N+](=O)[O-] ZINC000054224238 1024964108 /nfs/dbraw/zinc/96/41/08/1024964108.db2.gz MSFFPZHQRGOPBL-UHFFFAOYSA-N 1 2 346.343 3.542 20 5 EHBDLO O=C(C[N@@H+]1CCC[C@H]1c1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000025442710 1024987760 /nfs/dbraw/zinc/98/77/60/1024987760.db2.gz AKWXLGYDJNLFKE-INIZCTEOSA-N 1 2 343.358 3.510 20 5 EHBDLO O=C(C[N@H+]1CCC[C@H]1c1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000025442710 1024987764 /nfs/dbraw/zinc/98/77/64/1024987764.db2.gz AKWXLGYDJNLFKE-INIZCTEOSA-N 1 2 343.358 3.510 20 5 EHBDLO C[C@H](c1ccccc1Cl)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000053235756 1025192784 /nfs/dbraw/zinc/19/27/84/1025192784.db2.gz LSYZDAOJSOOKCT-LLVKDONJSA-N 1 2 347.802 3.540 20 5 EHBDLO C[C@H](c1ccccc1Cl)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000053235756 1025192795 /nfs/dbraw/zinc/19/27/95/1025192795.db2.gz LSYZDAOJSOOKCT-LLVKDONJSA-N 1 2 347.802 3.540 20 5 EHBDLO C[C@@H]1CCSCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425441652 1025290314 /nfs/dbraw/zinc/29/03/14/1025290314.db2.gz IPUMJZZJMIKEFW-SNVBAGLBSA-N 1 2 345.262 3.685 20 5 EHBDLO C[C@@H]1CCSCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425441652 1025290325 /nfs/dbraw/zinc/29/03/25/1025290325.db2.gz IPUMJZZJMIKEFW-SNVBAGLBSA-N 1 2 345.262 3.685 20 5 EHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)c1ccccn1 ZINC000128040714 1026862061 /nfs/dbraw/zinc/86/20/61/1026862061.db2.gz QKIXBJOZYXRIOP-CQSZACIVSA-N 1 2 329.400 3.970 20 5 EHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000128040714 1026862072 /nfs/dbraw/zinc/86/20/72/1026862072.db2.gz QKIXBJOZYXRIOP-CQSZACIVSA-N 1 2 329.400 3.970 20 5 EHBDLO Cc1cccn2cc(Cc3noc(-c4ccc([N+](=O)[O-])c(C)c4)n3)[nH+]c12 ZINC000545678114 1027349588 /nfs/dbraw/zinc/34/95/88/1027349588.db2.gz OMIBIRDWQBGXCU-UHFFFAOYSA-N 1 2 349.350 3.500 20 5 EHBDLO Cc1cc(Nc2ccc([N+](=O)[O-])cn2)c[nH+]c1N1CCCC[C@@H]1C ZINC000503274989 1027697998 /nfs/dbraw/zinc/69/79/98/1027697998.db2.gz ILIRXAXISJHGSF-ZDUSSCGKSA-N 1 2 327.388 3.816 20 5 EHBDLO Cc1ccc([C@H](C)[NH2+][C@@H]2COc3cc(F)cc(F)c32)cc1[N+](=O)[O-] ZINC000612422595 1028084132 /nfs/dbraw/zinc/08/41/32/1028084132.db2.gz CYCYHCMXTRGMKF-IINYFYTJSA-N 1 2 334.322 3.966 20 5 EHBDLO O=[N+]([O-])c1ccc2oc(=S)n(C[N@@H+]3CCc4ccsc4C3)c2c1 ZINC000760285613 1029668856 /nfs/dbraw/zinc/66/88/56/1029668856.db2.gz LDOFDUZZOPFSJG-UHFFFAOYSA-N 1 2 347.421 3.949 20 5 EHBDLO O=[N+]([O-])c1ccc2oc(=S)n(C[N@H+]3CCc4ccsc4C3)c2c1 ZINC000760285613 1029668859 /nfs/dbraw/zinc/66/88/59/1029668859.db2.gz LDOFDUZZOPFSJG-UHFFFAOYSA-N 1 2 347.421 3.949 20 5 EHBDLO COc1cc([C@@H](C)[NH2+]Cc2ncc(Cl)s2)cc([N+](=O)[O-])c1 ZINC000903216478 1031289319 /nfs/dbraw/zinc/28/93/19/1031289319.db2.gz BMOWNPRPGFSBLU-MRVPVSSYSA-N 1 2 327.793 3.564 20 5 EHBDLO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)o1 ZINC000595029815 1033653170 /nfs/dbraw/zinc/65/31/70/1033653170.db2.gz ZEBMIGZKZBNKBY-BLLLJJGKSA-N 1 2 348.399 3.797 20 5 EHBDLO CCOc1ccc(C2=CC[N@H+](Cc3onc(C)c3[N+](=O)[O-])CC2)cc1 ZINC000595407129 1033786515 /nfs/dbraw/zinc/78/65/15/1033786515.db2.gz HQJVVTMPUYLDKE-UHFFFAOYSA-N 1 2 343.383 3.579 20 5 EHBDLO CCOc1ccc(C2=CC[N@@H+](Cc3onc(C)c3[N+](=O)[O-])CC2)cc1 ZINC000595407129 1033786533 /nfs/dbraw/zinc/78/65/33/1033786533.db2.gz HQJVVTMPUYLDKE-UHFFFAOYSA-N 1 2 343.383 3.579 20 5 EHBDLO Cc1noc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000595411299 1033791293 /nfs/dbraw/zinc/79/12/93/1033791293.db2.gz ZWIMAFYHCSWPHX-QMMMGPOBSA-N 1 2 329.278 3.761 20 5 EHBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000608781938 1033888257 /nfs/dbraw/zinc/88/82/57/1033888257.db2.gz GMWCLOYJINGMFG-WBMJQRKESA-N 1 2 330.384 4.000 20 5 EHBDLO O=[N+]([O-])c1ccc(NCc2ccn3cc[nH+]c3c2)cc1C(F)(F)F ZINC000179264592 1033915772 /nfs/dbraw/zinc/91/57/72/1033915772.db2.gz FAAJUWUAIXULOI-UHFFFAOYSA-N 1 2 336.273 3.873 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCOc2ccc(O)cc2C1 ZINC000595845490 1034007610 /nfs/dbraw/zinc/00/76/10/1034007610.db2.gz NZWDTTIFOODHQK-CYBMUJFWSA-N 1 2 328.368 3.564 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCOc2ccc(O)cc2C1 ZINC000595845490 1034007630 /nfs/dbraw/zinc/00/76/30/1034007630.db2.gz NZWDTTIFOODHQK-CYBMUJFWSA-N 1 2 328.368 3.564 20 5 EHBDLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000136755772 1035094876 /nfs/dbraw/zinc/09/48/76/1035094876.db2.gz URPGVJVNOKVMNQ-UHFFFAOYSA-N 1 2 342.742 3.891 20 5 EHBDLO CC[C@H]([NH2+]Cc1nccc(C(F)(F)F)n1)c1cccc([N+](=O)[O-])c1 ZINC000414232608 1036192064 /nfs/dbraw/zinc/19/20/64/1036192064.db2.gz DGQCLGDFQBZKMZ-LBPRGKRZSA-N 1 2 340.305 3.645 20 5 EHBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000572804026 1036502310 /nfs/dbraw/zinc/50/23/10/1036502310.db2.gz MXCOGPZLTQRZQP-JKSUJKDBSA-N 1 2 336.819 3.782 20 5 EHBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000572804026 1036502324 /nfs/dbraw/zinc/50/23/24/1036502324.db2.gz MXCOGPZLTQRZQP-JKSUJKDBSA-N 1 2 336.819 3.782 20 5 EHBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCc4ccccc4C3)co2)cc1 ZINC000089882778 1036837409 /nfs/dbraw/zinc/83/74/09/1036837409.db2.gz PDPBKBQMXSPUEB-UHFFFAOYSA-N 1 2 335.363 3.808 20 5 EHBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCc4ccccc4C3)co2)cc1 ZINC000089882778 1036837422 /nfs/dbraw/zinc/83/74/22/1036837422.db2.gz PDPBKBQMXSPUEB-UHFFFAOYSA-N 1 2 335.363 3.808 20 5 EHBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC(c2ccccc2F)C1 ZINC000462824493 1037446572 /nfs/dbraw/zinc/44/65/72/1037446572.db2.gz CFAAFKQEHCCAMP-UHFFFAOYSA-N 1 2 330.359 3.732 20 5 EHBDLO COc1ccc([N+](=O)[O-])c(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC000462932293 1037556864 /nfs/dbraw/zinc/55/68/64/1037556864.db2.gz QRLJWGPHZAUCKM-UHFFFAOYSA-N 1 2 328.372 3.732 20 5 EHBDLO CCOc1cc(C[N@@H+]2Cc3ccccc3OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000491800954 1037680615 /nfs/dbraw/zinc/68/06/15/1037680615.db2.gz CPIUTDPUEJNUSZ-AWEZNQCLSA-N 1 2 342.395 3.777 20 5 EHBDLO CCOc1cc(C[N@H+]2Cc3ccccc3OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000491800954 1037680625 /nfs/dbraw/zinc/68/06/25/1037680625.db2.gz CPIUTDPUEJNUSZ-AWEZNQCLSA-N 1 2 342.395 3.777 20 5 EHBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CC4(C3)CCCO4)s2)cc1 ZINC000600190627 1040799302 /nfs/dbraw/zinc/79/93/02/1040799302.db2.gz QOGMIIGJNPQCDR-UHFFFAOYSA-N 1 2 330.409 3.688 20 5 EHBDLO COc1ccc(C[NH2+]Cc2cc(-c3ccccc3)on2)cc1[N+](=O)[O-] ZINC000106468915 1041708906 /nfs/dbraw/zinc/70/89/06/1041708906.db2.gz YPAZUQZCMORDTG-UHFFFAOYSA-N 1 2 339.351 3.548 20 5 EHBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1c[nH]c2ccccc12 ZINC000343925838 1042847989 /nfs/dbraw/zinc/84/79/89/1042847989.db2.gz CKMNCFAPPNJGIU-UHFFFAOYSA-N 1 2 349.390 3.923 20 5 EHBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1c[nH]c2ccccc12 ZINC000343925838 1042847998 /nfs/dbraw/zinc/84/79/98/1042847998.db2.gz CKMNCFAPPNJGIU-UHFFFAOYSA-N 1 2 349.390 3.923 20 5 EHBDLO O=[N+]([O-])c1ccc(OCC[NH+](Cc2ccco2)Cc2ccco2)cc1 ZINC000065208988 1128186227 /nfs/dbraw/zinc/18/62/27/1128186227.db2.gz VZMAFWOZXOURPQ-UHFFFAOYSA-N 1 2 342.351 3.862 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000762073238 1121088251 /nfs/dbraw/zinc/08/82/51/1121088251.db2.gz YPJTWJIINROKIP-UHFFFAOYSA-N 1 2 347.334 3.806 20 5 EHBDLO CN(C)c1cc(COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc[nH+]1 ZINC000762478174 1121320411 /nfs/dbraw/zinc/32/04/11/1121320411.db2.gz TVNOPNRCXZIGBV-UHFFFAOYSA-N 1 2 341.289 3.654 20 5 EHBDLO C[N@@H+](Cc1ccc(Cl)c(F)c1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000762502819 1121330639 /nfs/dbraw/zinc/33/06/39/1121330639.db2.gz PUIBKTBFORUYAE-UHFFFAOYSA-N 1 2 348.765 3.827 20 5 EHBDLO C[N@H+](Cc1ccc(Cl)c(F)c1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000762502819 1121330647 /nfs/dbraw/zinc/33/06/47/1121330647.db2.gz PUIBKTBFORUYAE-UHFFFAOYSA-N 1 2 348.765 3.827 20 5 EHBDLO Cc1cccnc1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113339343 1129002772 /nfs/dbraw/zinc/00/27/72/1129002772.db2.gz BLVSABPTOMPJGJ-UHFFFAOYSA-N 1 2 340.408 3.712 20 5 EHBDLO CC(C)[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cn1cc([N+](=O)[O-])cn1 ZINC000917484249 1122614131 /nfs/dbraw/zinc/61/41/31/1122614131.db2.gz ZTQDUPISTQKCBI-UHFFFAOYSA-N 1 2 343.214 3.966 20 5 EHBDLO CC(C)[N@H+](Cc1ccc(Cl)c(Cl)c1)Cn1cc([N+](=O)[O-])cn1 ZINC000917484249 1122614134 /nfs/dbraw/zinc/61/41/34/1122614134.db2.gz ZTQDUPISTQKCBI-UHFFFAOYSA-N 1 2 343.214 3.966 20 5 EHBDLO CC(C)CN(CC(C)C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000078349974 1129134860 /nfs/dbraw/zinc/13/48/60/1129134860.db2.gz WBHUEMUNASYZEN-UHFFFAOYSA-N 1 2 344.415 3.535 20 5 EHBDLO COC[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccco1 ZINC000080239740 1129339542 /nfs/dbraw/zinc/33/95/42/1129339542.db2.gz RFWBMLAWOOYRMT-INIZCTEOSA-N 1 2 342.351 3.925 20 5 EHBDLO CCOc1ccc([C@H](C)[NH2+][C@H](COC)c2ccc(C)o2)cc1[N+](=O)[O-] ZINC000154105491 1129532959 /nfs/dbraw/zinc/53/29/59/1129532959.db2.gz KGOPHNDGWNDPSO-DZGCQCFKSA-N 1 2 348.399 3.933 20 5 EHBDLO C[C@@H]([NH2+]Cc1ccn(Cc2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000389926601 1129596019 /nfs/dbraw/zinc/59/60/19/1129596019.db2.gz DHRTYUMQHFVYTQ-OAHLLOKOSA-N 1 2 336.395 3.690 20 5 EHBDLO CC[NH+](CC)[C@@H](C(=O)Oc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000731471032 1130801421 /nfs/dbraw/zinc/80/14/21/1130801421.db2.gz POMJITOMPORFBG-QGZVFWFLSA-N 1 2 328.368 3.583 20 5 EHBDLO Cn1c(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])nc2cc(F)ccc21 ZINC000740005839 1131515810 /nfs/dbraw/zinc/51/58/10/1131515810.db2.gz HONRLRJACMEFHV-UHFFFAOYSA-N 1 2 348.765 3.564 20 5 EHBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@](F)(c2ccccc2C)C1 ZINC001169723393 1132835197 /nfs/dbraw/zinc/83/51/97/1132835197.db2.gz CVXBJVMQOAPUMA-LJQANCHMSA-N 1 2 344.386 3.983 20 5 EHBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@](F)(c2ccccc2C)C1 ZINC001169723393 1132835204 /nfs/dbraw/zinc/83/52/04/1132835204.db2.gz CVXBJVMQOAPUMA-LJQANCHMSA-N 1 2 344.386 3.983 20 5 EHBDLO CC1=C(C)C[N@H+](Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC001169831775 1132863646 /nfs/dbraw/zinc/86/36/46/1132863646.db2.gz CPPFIMWGPDXUPM-UHFFFAOYSA-N 1 2 325.206 3.899 20 5 EHBDLO CC1=C(C)C[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC001169831775 1132863654 /nfs/dbraw/zinc/86/36/54/1132863654.db2.gz CPPFIMWGPDXUPM-UHFFFAOYSA-N 1 2 325.206 3.899 20 5 EHBDLO Cc1cccn2cc(CCNc3nccc4c3cccc4[N+](=O)[O-])[nH+]c12 ZINC001185593260 1134111476 /nfs/dbraw/zinc/11/14/76/1134111476.db2.gz MPXIXZIXJALUTH-UHFFFAOYSA-N 1 2 347.378 3.754 20 5 EHBDLO CCCC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001191358316 1134848350 /nfs/dbraw/zinc/84/83/50/1134848350.db2.gz JMYJCDMFHZIKFB-UHFFFAOYSA-N 1 2 339.823 3.699 20 5 EHBDLO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC001191529257 1134880737 /nfs/dbraw/zinc/88/07/37/1134880737.db2.gz DBIWMAKGLMDMNI-MRXNPFEDSA-N 1 2 341.411 3.531 20 5 EHBDLO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC001191529257 1134880741 /nfs/dbraw/zinc/88/07/41/1134880741.db2.gz DBIWMAKGLMDMNI-MRXNPFEDSA-N 1 2 341.411 3.531 20 5 EHBDLO C[C@H](c1cccnc1)[NH+]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000804461419 1135076627 /nfs/dbraw/zinc/07/66/27/1135076627.db2.gz GXPGVLGJLAXPKP-CYBMUJFWSA-N 1 2 346.818 3.526 20 5 EHBDLO C[C@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000811113914 1136047273 /nfs/dbraw/zinc/04/72/73/1136047273.db2.gz GOMSEJQZDWIXOR-ZDUSSCGKSA-N 1 2 337.335 3.699 20 5 EHBDLO O=[N+]([O-])c1cc(C(F)F)ccc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000853550057 1136543714 /nfs/dbraw/zinc/54/37/14/1136543714.db2.gz AYFDQSBUXCONOM-CYBMUJFWSA-N 1 2 335.310 3.585 20 5 EHBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2c(F)cc(F)cc2F)cc1Cl ZINC000816651207 1136745025 /nfs/dbraw/zinc/74/50/25/1136745025.db2.gz YYRLIQVEZFVGJI-UHFFFAOYSA-N 1 2 330.693 3.955 20 5 EHBDLO CSc1ccccc1C[N@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000794661114 1137222266 /nfs/dbraw/zinc/22/22/66/1137222266.db2.gz MVLYISCXEMIHOU-UHFFFAOYSA-N 1 2 342.424 3.756 20 5 EHBDLO CSc1ccccc1C[N@@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000794661114 1137222268 /nfs/dbraw/zinc/22/22/68/1137222268.db2.gz MVLYISCXEMIHOU-UHFFFAOYSA-N 1 2 342.424 3.756 20 5 EHBDLO COc1nc(C)cc(C)c1C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872030970 1137566330 /nfs/dbraw/zinc/56/63/30/1137566330.db2.gz FHYPOSNVBWUHDS-LBPRGKRZSA-N 1 2 333.363 3.605 20 5 EHBDLO COc1cccc2c1OCC[C@H]2[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872044565 1137567351 /nfs/dbraw/zinc/56/73/51/1137567351.db2.gz CFNXDFHJPHXNPN-BXUZGUMPSA-N 1 2 346.358 3.917 20 5 EHBDLO C[C@@H]([NH2+]Cc1ccc2c(n1)CCCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872067347 1137569533 /nfs/dbraw/zinc/56/95/33/1137569533.db2.gz PZIXLLYZKPQCDO-GFCCVEGCSA-N 1 2 329.375 3.859 20 5 EHBDLO C[C@H]([NH2+]Cc1cc2c([nH]c1=O)CCCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872096239 1137571016 /nfs/dbraw/zinc/57/10/16/1137571016.db2.gz YYEZCEPOGVJNKC-NSHDSACASA-N 1 2 345.374 3.564 20 5 EHBDLO CC[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1cccc(OC)c1OC ZINC000879464225 1137748460 /nfs/dbraw/zinc/74/84/60/1137748460.db2.gz DZZWCJYCCCLPMD-HNNXBMFYSA-N 1 2 348.374 3.992 20 5 EHBDLO O=[N+]([O-])c1ncccc1C[NH+]1CCC(=Cc2ccccc2F)CC1 ZINC000886038132 1138034066 /nfs/dbraw/zinc/03/40/66/1138034066.db2.gz RFOOPCRDVYKJPR-UHFFFAOYSA-N 1 2 327.359 3.808 20 5 EHBDLO COc1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C2CC2)ccc1O ZINC000089972956 1138207857 /nfs/dbraw/zinc/20/78/57/1138207857.db2.gz QVFCXKUVSYXFQW-UHFFFAOYSA-N 1 2 346.358 3.613 20 5 EHBDLO COc1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C2CC2)ccc1O ZINC000089972956 1138207859 /nfs/dbraw/zinc/20/78/59/1138207859.db2.gz QVFCXKUVSYXFQW-UHFFFAOYSA-N 1 2 346.358 3.613 20 5 EHBDLO C[N@H+](CCOCC1CC1)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000093818463 1138241947 /nfs/dbraw/zinc/24/19/47/1138241947.db2.gz ISPASLAHTVBUBW-UHFFFAOYSA-N 1 2 347.440 3.577 20 5 EHBDLO C[N@@H+](CCOCC1CC1)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000093818463 1138241948 /nfs/dbraw/zinc/24/19/48/1138241948.db2.gz ISPASLAHTVBUBW-UHFFFAOYSA-N 1 2 347.440 3.577 20 5 EHBDLO O=[N+]([O-])c1cc(Br)ccc1SCCCn1cc[nH+]c1 ZINC000180438228 1139834592 /nfs/dbraw/zinc/83/45/92/1139834592.db2.gz WVOKHUKUZLHBGZ-UHFFFAOYSA-N 1 2 342.218 3.736 20 5 EHBDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000180523662 1139841599 /nfs/dbraw/zinc/84/15/99/1139841599.db2.gz WGDARQQSHWNTGF-HNNXBMFYSA-N 1 2 334.807 3.925 20 5 EHBDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000180523662 1139841604 /nfs/dbraw/zinc/84/16/04/1139841604.db2.gz WGDARQQSHWNTGF-HNNXBMFYSA-N 1 2 334.807 3.925 20 5 EHBDLO Cc1ccc([C@H](C)[NH2+]Cc2nnc(C3CC3)n2C2CC2)cc1[N+](=O)[O-] ZINC000181763131 1139929339 /nfs/dbraw/zinc/92/93/39/1139929339.db2.gz ZPFMBBCOQQGQHQ-LBPRGKRZSA-N 1 2 341.415 3.558 20 5 EHBDLO COc1cc(C[NH2+][C@H](C)c2ccc(F)cc2F)c([N+](=O)[O-])cc1F ZINC000184298525 1140093818 /nfs/dbraw/zinc/09/38/18/1140093818.db2.gz ISSNXTKXQWWTEW-SECBINFHSA-N 1 2 340.301 3.872 20 5 EHBDLO CC[C@@H](C)N(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H](C)CC ZINC000184944780 1140126792 /nfs/dbraw/zinc/12/67/92/1140126792.db2.gz CPBFGRZRIUTPRB-ZIAGYGMSSA-N 1 2 344.415 3.820 20 5 EHBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H]1c1nc(C)no1 ZINC000348813443 1141585219 /nfs/dbraw/zinc/58/52/19/1141585219.db2.gz HABVJWBWWFGDPD-YHVDPYDOSA-N 1 2 328.372 3.527 20 5 EHBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H]1c1nc(C)no1 ZINC000348813443 1141585222 /nfs/dbraw/zinc/58/52/22/1141585222.db2.gz HABVJWBWWFGDPD-YHVDPYDOSA-N 1 2 328.372 3.527 20 5 EHBDLO Cc1cn2cc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)ccc2[nH+]1 ZINC000339269924 1014134897 /nfs/dbraw/zinc/13/48/97/1014134897.db2.gz GXLISMIPGODDQC-UHFFFAOYSA-N 1 2 336.307 3.549 20 5 EHBDLO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000246943029 1016193324 /nfs/dbraw/zinc/19/33/24/1016193324.db2.gz QVRIKYISBNAMNH-ACJLOTCBSA-N 1 2 330.359 3.696 20 5 EHBDLO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000246943029 1016193329 /nfs/dbraw/zinc/19/33/29/1016193329.db2.gz QVRIKYISBNAMNH-ACJLOTCBSA-N 1 2 330.359 3.696 20 5 EHBDLO CCOC(=O)C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C ZINC000510216035 1016469723 /nfs/dbraw/zinc/46/97/23/1016469723.db2.gz XWQZAILSXYJWKE-UHFFFAOYSA-N 1 2 346.383 3.628 20 5 EHBDLO CCOC(=O)C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C ZINC000510216035 1016469728 /nfs/dbraw/zinc/46/97/28/1016469728.db2.gz XWQZAILSXYJWKE-UHFFFAOYSA-N 1 2 346.383 3.628 20 5 EHBDLO CC[C@@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000602118553 1032646270 /nfs/dbraw/zinc/64/62/70/1032646270.db2.gz UNMPUWWEEPGBMC-SJORKVTESA-N 1 2 344.415 3.646 20 5 EHBDLO C[NH+](C)[C@H](CNCc1cc([N+](=O)[O-])ccc1Cl)c1cccs1 ZINC000060774035 1032865793 /nfs/dbraw/zinc/86/57/93/1032865793.db2.gz AFLQVYQMXXCUOT-CQSZACIVSA-N 1 2 339.848 3.702 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2cccc(F)c2[C@@H]1C ZINC001167473441 1021148532 /nfs/dbraw/zinc/14/85/32/1021148532.db2.gz JQLOHFPYWDWKHH-LBPRGKRZSA-N 1 2 330.359 3.862 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2cccc(F)c2[C@@H]1C ZINC001167473441 1021148536 /nfs/dbraw/zinc/14/85/36/1021148536.db2.gz JQLOHFPYWDWKHH-LBPRGKRZSA-N 1 2 330.359 3.862 20 5 EHBDLO Cc1cc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000134045745 1022430563 /nfs/dbraw/zinc/43/05/63/1022430563.db2.gz GDPPDPWABZVCBV-MEDUHNTESA-N 1 2 334.807 3.841 20 5 EHBDLO Cc1c(C[N@@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000120772973 1022559731 /nfs/dbraw/zinc/55/97/31/1022559731.db2.gz DXQPYPRKCVLYDQ-SJCJKPOMSA-N 1 2 332.425 3.927 20 5 EHBDLO Cc1c(C[N@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000120772973 1022559735 /nfs/dbraw/zinc/55/97/35/1022559735.db2.gz DXQPYPRKCVLYDQ-SJCJKPOMSA-N 1 2 332.425 3.927 20 5 EHBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000538475226 1024402093 /nfs/dbraw/zinc/40/20/93/1024402093.db2.gz ASXOFMTUONGBNC-HNAYVOBHSA-N 1 2 326.396 3.599 20 5 EHBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000538475226 1024402100 /nfs/dbraw/zinc/40/21/00/1024402100.db2.gz ASXOFMTUONGBNC-HNAYVOBHSA-N 1 2 326.396 3.599 20 5 EHBDLO C[C@@H](c1cccs1)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000025931405 1026463235 /nfs/dbraw/zinc/46/32/35/1026463235.db2.gz AJXTYZGJDXMQKU-NSHDSACASA-N 1 2 344.396 3.899 20 5 EHBDLO C[C@@H](c1cccs1)[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000025931405 1026463239 /nfs/dbraw/zinc/46/32/39/1026463239.db2.gz AJXTYZGJDXMQKU-NSHDSACASA-N 1 2 344.396 3.899 20 5 EHBDLO Cc1cc(C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1F ZINC000444743361 1028230823 /nfs/dbraw/zinc/23/08/23/1028230823.db2.gz YTEIFZHZHIKKQF-UHFFFAOYSA-N 1 2 328.347 3.551 20 5 EHBDLO Cc1cc(C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1F ZINC000444743361 1028230837 /nfs/dbraw/zinc/23/08/37/1028230837.db2.gz YTEIFZHZHIKKQF-UHFFFAOYSA-N 1 2 328.347 3.551 20 5 EHBDLO CCc1ccc([C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)CCO2)cc1 ZINC000483428818 1031160441 /nfs/dbraw/zinc/16/04/41/1031160441.db2.gz PBNCUKHPGFPPGO-LJQANCHMSA-N 1 2 326.396 3.731 20 5 EHBDLO CCc1ccc([C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)CCO2)cc1 ZINC000483428818 1031160450 /nfs/dbraw/zinc/16/04/50/1031160450.db2.gz PBNCUKHPGFPPGO-LJQANCHMSA-N 1 2 326.396 3.731 20 5 EHBDLO CCC(=O)c1ccc(NCCc2[nH+]cc(C)cc2C)c([N+](=O)[O-])c1 ZINC000594595798 1033443964 /nfs/dbraw/zinc/44/39/64/1033443964.db2.gz KIOQUOLCWQHXNS-UHFFFAOYSA-N 1 2 327.384 3.854 20 5 EHBDLO CCc1ccc([C@H](COC)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)o1 ZINC000595029818 1033652940 /nfs/dbraw/zinc/65/29/40/1033652940.db2.gz ZEBMIGZKZBNKBY-WBMJQRKESA-N 1 2 348.399 3.797 20 5 EHBDLO CC[C@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000595415102 1033790827 /nfs/dbraw/zinc/79/08/27/1033790827.db2.gz JTXSYRHSUKNXDW-NSHDSACASA-N 1 2 341.314 3.734 20 5 EHBDLO COCc1cc[nH+]c(N[C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])c1 ZINC000593698552 1033798956 /nfs/dbraw/zinc/79/89/56/1033798956.db2.gz SWDCGYPFAIFENM-RDJZCZTQSA-N 1 2 341.411 3.960 20 5 EHBDLO COCc1cc[nH+]c(N[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000593725733 1033858584 /nfs/dbraw/zinc/85/85/84/1033858584.db2.gz RJALOEANPSAAIP-MRXNPFEDSA-N 1 2 327.384 3.569 20 5 EHBDLO Cn1ncc2c1CC(C)(C)C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000596598345 1034314197 /nfs/dbraw/zinc/31/41/97/1034314197.db2.gz LURYNFSZKOFPMP-UHFFFAOYSA-N 1 2 348.834 3.566 20 5 EHBDLO Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000596598345 1034314210 /nfs/dbraw/zinc/31/42/10/1034314210.db2.gz LURYNFSZKOFPMP-UHFFFAOYSA-N 1 2 348.834 3.566 20 5 EHBDLO COCC[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc(C)cc1C ZINC000604493389 1034400522 /nfs/dbraw/zinc/40/05/22/1034400522.db2.gz IQTOCDSYMYHBIV-UHFFFAOYSA-N 1 2 334.441 3.922 20 5 EHBDLO COCC[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc(C)cc1C ZINC000604493389 1034400528 /nfs/dbraw/zinc/40/05/28/1034400528.db2.gz IQTOCDSYMYHBIV-UHFFFAOYSA-N 1 2 334.441 3.922 20 5 EHBDLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000060460892 1034558563 /nfs/dbraw/zinc/55/85/63/1034558563.db2.gz XUOCNGKUWJAXGV-ZDUSSCGKSA-N 1 2 347.365 3.756 20 5 EHBDLO C[N@H+](CCOC(C)(C)C)Cc1cccc([N+](=O)[O-])c1Br ZINC000689903625 1036045986 /nfs/dbraw/zinc/04/59/86/1036045986.db2.gz NAVYOKPJAWDSNW-UHFFFAOYSA-N 1 2 345.237 3.604 20 5 EHBDLO C[N@@H+](CCOC(C)(C)C)Cc1cccc([N+](=O)[O-])c1Br ZINC000689903625 1036046008 /nfs/dbraw/zinc/04/60/08/1036046008.db2.gz NAVYOKPJAWDSNW-UHFFFAOYSA-N 1 2 345.237 3.604 20 5 EHBDLO COc1cc(C[N@@H+]2C[C@@H](C)[C@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000464680034 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CUCGQUHNIYXYHP-CYBMUJFWSA-N 1 2 328.368 3.559 20 5 EHBDLO Cc1cccc2nc(C[NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)[nH]c21 ZINC000761526082 1037109205 /nfs/dbraw/zinc/10/92/05/1037109205.db2.gz GXAPXUOEWFRRHC-UHFFFAOYSA-N 1 2 330.775 3.723 20 5 EHBDLO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000246660297 1039075062 /nfs/dbraw/zinc/07/50/62/1039075062.db2.gz IZSMFGNYLJWTIH-ACJLOTCBSA-N 1 2 330.359 3.696 20 5 EHBDLO C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000246660297 1039075079 /nfs/dbraw/zinc/07/50/79/1039075079.db2.gz IZSMFGNYLJWTIH-ACJLOTCBSA-N 1 2 330.359 3.696 20 5 EHBDLO C[C@H]1SCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H]1C ZINC000549845166 1040032289 /nfs/dbraw/zinc/03/22/89/1040032289.db2.gz GQWCROHNBFQFPQ-VHSXEESVSA-N 1 2 334.363 3.939 20 5 EHBDLO C[C@H]1SCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H]1C ZINC000549845166 1040032306 /nfs/dbraw/zinc/03/23/06/1040032306.db2.gz GQWCROHNBFQFPQ-VHSXEESVSA-N 1 2 334.363 3.939 20 5 EHBDLO C[C@H]1SCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@@H]1C ZINC000549845164 1040032587 /nfs/dbraw/zinc/03/25/87/1040032587.db2.gz GQWCROHNBFQFPQ-NXEZZACHSA-N 1 2 334.363 3.939 20 5 EHBDLO C[C@H]1SCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@@H]1C ZINC000549845164 1040032603 /nfs/dbraw/zinc/03/26/03/1040032603.db2.gz GQWCROHNBFQFPQ-NXEZZACHSA-N 1 2 334.363 3.939 20 5 EHBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@H]2c2ccc(O)cc2)c(F)c1 ZINC000586766911 1041006603 /nfs/dbraw/zinc/00/66/03/1041006603.db2.gz VTKORSCZUQIAPP-KRWDZBQOSA-N 1 2 334.322 3.916 20 5 EHBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)c(F)c1 ZINC000586766911 1041006611 /nfs/dbraw/zinc/00/66/11/1041006611.db2.gz VTKORSCZUQIAPP-KRWDZBQOSA-N 1 2 334.322 3.916 20 5 EHBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CCC3(CCCCC3)O1)CCO2 ZINC000571368348 1041295137 /nfs/dbraw/zinc/29/51/37/1041295137.db2.gz SDXVEXBQKNCHKH-KRWDZBQOSA-N 1 2 346.427 3.671 20 5 EHBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1CCC3(CCCCC3)O1)CCO2 ZINC000571368348 1041295152 /nfs/dbraw/zinc/29/51/52/1041295152.db2.gz SDXVEXBQKNCHKH-KRWDZBQOSA-N 1 2 346.427 3.671 20 5 EHBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000585756371 1043025509 /nfs/dbraw/zinc/02/55/09/1043025509.db2.gz GZTONAHSDYSATH-JXFKEZNVSA-N 1 2 339.439 3.515 20 5 EHBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000585756371 1043025513 /nfs/dbraw/zinc/02/55/13/1043025513.db2.gz GZTONAHSDYSATH-JXFKEZNVSA-N 1 2 339.439 3.515 20 5 EHBDLO O=[N+]([O-])c1ccccc1N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000272528179 1121675646 /nfs/dbraw/zinc/67/56/46/1121675646.db2.gz ONLCLEFGNCWHSV-UHFFFAOYSA-N 1 2 348.406 3.597 20 5 EHBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H]3c3ccc(O)cc3)nc2c1 ZINC000618285847 1125037510 /nfs/dbraw/zinc/03/75/10/1125037510.db2.gz PQMUKPGOPYUTRU-KRWDZBQOSA-N 1 2 338.367 3.514 20 5 EHBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H]3c3ccc(O)cc3)nc2c1 ZINC000618285847 1125037518 /nfs/dbraw/zinc/03/75/18/1125037518.db2.gz PQMUKPGOPYUTRU-KRWDZBQOSA-N 1 2 338.367 3.514 20 5 EHBDLO CCC[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000466481024 1129484798 /nfs/dbraw/zinc/48/47/98/1129484798.db2.gz GQBNGLONQUYXSY-LBPRGKRZSA-N 1 2 339.823 3.699 20 5 EHBDLO CCC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000466481024 1129484800 /nfs/dbraw/zinc/48/48/00/1129484800.db2.gz GQBNGLONQUYXSY-LBPRGKRZSA-N 1 2 339.823 3.699 20 5 EHBDLO C[C@@H]([NH2+]Cc1ncc(C(F)(F)F)s1)c1ccc([N+](=O)[O-])cc1 ZINC000922538952 1129565887 /nfs/dbraw/zinc/56/58/87/1129565887.db2.gz ZIANWMNLMJLWIU-MRVPVSSYSA-N 1 2 331.319 3.921 20 5 EHBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1NCCc1cn2ccccc2[nH+]1 ZINC000302710676 1129787404 /nfs/dbraw/zinc/78/74/04/1129787404.db2.gz WYQZZLVZSNTNQY-UHFFFAOYSA-N 1 2 330.775 3.859 20 5 EHBDLO COC(=O)[C@H](CC1CCCCC1)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173233466 1132010190 /nfs/dbraw/zinc/01/01/90/1132010190.db2.gz JBJVZEYDGVUTKW-KSSFIOAISA-N 1 2 348.443 3.627 20 5 EHBDLO CCC[N@@H+](Cc1ccccc1F)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000746037057 1132350909 /nfs/dbraw/zinc/35/09/09/1132350909.db2.gz CRYMIDIPUYWWKH-UHFFFAOYSA-N 1 2 342.374 3.953 20 5 EHBDLO CCC[N@H+](Cc1ccccc1F)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000746037057 1132350917 /nfs/dbraw/zinc/35/09/17/1132350917.db2.gz CRYMIDIPUYWWKH-UHFFFAOYSA-N 1 2 342.374 3.953 20 5 EHBDLO C[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1cc2cnccc2o1 ZINC001175637868 1132719583 /nfs/dbraw/zinc/71/95/83/1132719583.db2.gz DFOYBYQGMPLSLA-SECBINFHSA-N 1 2 333.294 3.865 20 5 EHBDLO Cc1nn(C[N@H+]2CC=C(c3cc(C)cc(C)c3)CC2)c(C)c1[N+](=O)[O-] ZINC000769654088 1133325879 /nfs/dbraw/zinc/32/58/79/1133325879.db2.gz KXTVUDMBQNRTBM-UHFFFAOYSA-N 1 2 340.427 3.772 20 5 EHBDLO Cc1nn(C[N@@H+]2CC=C(c3cc(C)cc(C)c3)CC2)c(C)c1[N+](=O)[O-] ZINC000769654088 1133325887 /nfs/dbraw/zinc/32/58/87/1133325887.db2.gz KXTVUDMBQNRTBM-UHFFFAOYSA-N 1 2 340.427 3.772 20 5 EHBDLO O=[N+]([O-])c1ccc2oc(CNc3cccc(-n4cc[nH+]c4)c3)nc2c1 ZINC001180301196 1133354128 /nfs/dbraw/zinc/35/41/28/1133354128.db2.gz KOZDEHRLMLZZEM-UHFFFAOYSA-N 1 2 335.323 3.534 20 5 EHBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3sccc3Cl)CC2)cc1 ZINC000787049029 1133944578 /nfs/dbraw/zinc/94/45/78/1133944578.db2.gz JQCFUBKSGGGFOY-UHFFFAOYSA-N 1 2 337.832 3.632 20 5 EHBDLO CC[N@H+](C)[C@@H](C(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000775482146 1134923738 /nfs/dbraw/zinc/92/37/38/1134923738.db2.gz SZUHCSMSZVZPGH-KBXCAEBGSA-N 1 2 342.395 3.892 20 5 EHBDLO CC[N@@H+](C)[C@@H](C(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000775482146 1134923746 /nfs/dbraw/zinc/92/37/46/1134923746.db2.gz SZUHCSMSZVZPGH-KBXCAEBGSA-N 1 2 342.395 3.892 20 5 EHBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000852501075 1136460529 /nfs/dbraw/zinc/46/05/29/1136460529.db2.gz HZJOJQQFVRAHPE-HNNXBMFYSA-N 1 2 345.226 3.639 20 5 EHBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000852501075 1136460533 /nfs/dbraw/zinc/46/05/33/1136460533.db2.gz HZJOJQQFVRAHPE-HNNXBMFYSA-N 1 2 345.226 3.639 20 5 EHBDLO COc1cccc(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])c1OC ZINC000872026170 1137565864 /nfs/dbraw/zinc/56/58/64/1137565864.db2.gz YKQIRMAOFUSJER-NSHDSACASA-N 1 2 334.347 3.602 20 5 EHBDLO COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])CCO2 ZINC000872063638 1137569129 /nfs/dbraw/zinc/56/91/29/1137569129.db2.gz RAYXFLRIFWRZPJ-ABAIWWIYSA-N 1 2 346.358 3.917 20 5 EHBDLO C[C@@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872070600 1137569634 /nfs/dbraw/zinc/56/96/34/1137569634.db2.gz UZFCLULUBSVKFN-SECBINFHSA-N 1 2 341.289 3.581 20 5 EHBDLO C[C@@H]([NH2+][C@@H](CCO)c1ccccc1F)c1c(F)cccc1[N+](=O)[O-] ZINC000872080780 1137570252 /nfs/dbraw/zinc/57/02/52/1137570252.db2.gz BUEZRCUWYAUWIY-ABAIWWIYSA-N 1 2 336.338 3.647 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccc(C)nc1Cl ZINC000883301634 1137853396 /nfs/dbraw/zinc/85/33/96/1137853396.db2.gz FPVRANGURHFFTQ-NSHDSACASA-N 1 2 335.791 3.811 20 5 EHBDLO O=[N+]([O-])c1ncccc1C[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC000886082768 1138038969 /nfs/dbraw/zinc/03/89/69/1138038969.db2.gz APYKZXRNZQDVSC-UHFFFAOYSA-N 1 2 347.802 3.687 20 5 EHBDLO CC(C)[N@H+](Cc1nc(-c2ccco2)no1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350005 1138071131 /nfs/dbraw/zinc/07/11/31/1138071131.db2.gz QVCXAVOBGZYILE-UHFFFAOYSA-N 1 2 342.355 3.648 20 5 EHBDLO CC(C)[N@@H+](Cc1nc(-c2ccco2)no1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350005 1138071133 /nfs/dbraw/zinc/07/11/33/1138071133.db2.gz QVCXAVOBGZYILE-UHFFFAOYSA-N 1 2 342.355 3.648 20 5 EHBDLO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)o1 ZINC000130996637 1138489014 /nfs/dbraw/zinc/48/90/14/1138489014.db2.gz JFIDTWSDWDORKC-INIZCTEOSA-N 1 2 334.347 3.810 20 5 EHBDLO COCc1ccc([C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2F)o1 ZINC000130996637 1138489016 /nfs/dbraw/zinc/48/90/16/1138489016.db2.gz JFIDTWSDWDORKC-INIZCTEOSA-N 1 2 334.347 3.810 20 5 EHBDLO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]1c1ccccc1 ZINC000177832458 1139645937 /nfs/dbraw/zinc/64/59/37/1139645937.db2.gz REGUMNOIHAVWEK-UGSOOPFHSA-N 1 2 340.379 3.654 20 5 EHBDLO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]1c1ccccc1 ZINC000177832458 1139645941 /nfs/dbraw/zinc/64/59/41/1139645941.db2.gz REGUMNOIHAVWEK-UGSOOPFHSA-N 1 2 340.379 3.654 20 5 EHBDLO Cc1cnc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)s1 ZINC000185010373 1140131408 /nfs/dbraw/zinc/13/14/08/1140131408.db2.gz VWGTUDKUUXFXRG-GFCCVEGCSA-N 1 2 335.429 3.998 20 5 EHBDLO C[C@H]([NH2+]Cc1cc(COC(C)(C)C)on1)c1cccc([N+](=O)[O-])c1 ZINC000186826297 1140223634 /nfs/dbraw/zinc/22/36/34/1140223634.db2.gz WJKJPADJEUZSJZ-LBPRGKRZSA-N 1 2 333.388 3.749 20 5 EHBDLO Cc1nc(NCc2cc[nH+]c(N3CCCCCC3)c2)ccc1[N+](=O)[O-] ZINC000268481217 1140945855 /nfs/dbraw/zinc/94/58/55/1140945855.db2.gz LKBZQYXMJUFHNS-UHFFFAOYSA-N 1 2 341.415 3.686 20 5 EHBDLO CCS[C@@H](C)c1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000273861958 1141435552 /nfs/dbraw/zinc/43/55/52/1141435552.db2.gz GZHGZOCZKXJWGX-JTQLQIEISA-N 1 2 345.384 3.645 20 5 EHBDLO CC[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000339189217 1141522733 /nfs/dbraw/zinc/52/27/33/1141522733.db2.gz MNODSBNLXWLRDH-HNNXBMFYSA-N 1 2 346.383 3.559 20 5 EHBDLO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000246943057 1016193860 /nfs/dbraw/zinc/19/38/60/1016193860.db2.gz QVRIKYISBNAMNH-UGSOOPFHSA-N 1 2 330.359 3.696 20 5 EHBDLO C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000246943057 1016193865 /nfs/dbraw/zinc/19/38/65/1016193865.db2.gz QVRIKYISBNAMNH-UGSOOPFHSA-N 1 2 330.359 3.696 20 5 EHBDLO CCn1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C(C)C)cn1 ZINC000593082990 1032753498 /nfs/dbraw/zinc/75/34/98/1032753498.db2.gz XTAMUBZBFFXMIP-UHFFFAOYSA-N 1 2 336.823 3.875 20 5 EHBDLO CCn1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C(C)C)cn1 ZINC000593082990 1032753514 /nfs/dbraw/zinc/75/35/14/1032753514.db2.gz XTAMUBZBFFXMIP-UHFFFAOYSA-N 1 2 336.823 3.875 20 5 EHBDLO CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449562996 1032811619 /nfs/dbraw/zinc/81/16/19/1032811619.db2.gz PZIZAWDEVLULSF-ZDUSSCGKSA-N 1 2 340.383 3.922 20 5 EHBDLO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H](c2ccc(F)cc2)O1 ZINC000126664340 1021161991 /nfs/dbraw/zinc/16/19/91/1021161991.db2.gz QVRIKYISBNAMNH-SCLBCKFNSA-N 1 2 330.359 3.696 20 5 EHBDLO C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H](c2ccc(F)cc2)O1 ZINC000126664340 1021161996 /nfs/dbraw/zinc/16/19/96/1021161996.db2.gz QVRIKYISBNAMNH-SCLBCKFNSA-N 1 2 330.359 3.696 20 5 EHBDLO COC(=O)c1ccccc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000507171011 1023171698 /nfs/dbraw/zinc/17/16/98/1023171698.db2.gz ROHSYWJDCXVODS-UHFFFAOYSA-N 1 2 340.379 3.546 20 5 EHBDLO COC(=O)c1ccccc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000507171011 1023171701 /nfs/dbraw/zinc/17/17/01/1023171701.db2.gz ROHSYWJDCXVODS-UHFFFAOYSA-N 1 2 340.379 3.546 20 5 EHBDLO C[NH+](C)Cc1csc(CNc2ccc([N+](=O)[O-])cc2C(F)F)n1 ZINC000895478843 1024552674 /nfs/dbraw/zinc/55/26/74/1024552674.db2.gz DNFHHRJJLMFDDW-UHFFFAOYSA-N 1 2 342.371 3.663 20 5 EHBDLO COc1cccc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1[N+](=O)[O-] ZINC000185242495 1024682453 /nfs/dbraw/zinc/68/24/53/1024682453.db2.gz WDVBNGGQEUTKJL-UHFFFAOYSA-N 1 2 342.330 3.540 20 5 EHBDLO Cc1cc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nn1C ZINC000281926965 1025714425 /nfs/dbraw/zinc/71/44/25/1025714425.db2.gz ATWOZKGGZJQKSX-JTQLQIEISA-N 1 2 342.321 3.506 20 5 EHBDLO CCn1c[nH+]c2c1CCN(c1c(Cl)c(Cl)ccc1[N+](=O)[O-])C2 ZINC000896654272 1025811240 /nfs/dbraw/zinc/81/12/40/1025811240.db2.gz MVJZQOOGDMLOTP-UHFFFAOYSA-N 1 2 341.198 3.681 20 5 EHBDLO Cc1ccc([C@H](C)[NH2+][C@H]2COc3cc(F)cc(F)c32)cc1[N+](=O)[O-] ZINC000612422594 1028085353 /nfs/dbraw/zinc/08/53/53/1028085353.db2.gz CYCYHCMXTRGMKF-HZMBPMFUSA-N 1 2 334.322 3.966 20 5 EHBDLO Cc1c(Cl)c(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nn1C ZINC000421387119 1028361342 /nfs/dbraw/zinc/36/13/42/1028361342.db2.gz SWOMULXEZTYQLA-AWEZNQCLSA-N 1 2 348.834 3.670 20 5 EHBDLO Cc1c(Cl)c(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nn1C ZINC000421387119 1028361362 /nfs/dbraw/zinc/36/13/62/1028361362.db2.gz SWOMULXEZTYQLA-AWEZNQCLSA-N 1 2 348.834 3.670 20 5 EHBDLO Cc1ccccc1[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000524757645 1029489093 /nfs/dbraw/zinc/48/90/93/1029489093.db2.gz UHPKQSZDXYCZET-BEFAXECRSA-N 1 2 326.396 3.865 20 5 EHBDLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000524757645 1029489096 /nfs/dbraw/zinc/48/90/96/1029489096.db2.gz UHPKQSZDXYCZET-BEFAXECRSA-N 1 2 326.396 3.865 20 5 EHBDLO Cc1ccccc1[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000525126485 1029697926 /nfs/dbraw/zinc/69/79/26/1029697926.db2.gz XMFCHXQSZYEOSZ-LJQANCHMSA-N 1 2 326.396 3.785 20 5 EHBDLO Cc1ccccc1[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000525126485 1029697935 /nfs/dbraw/zinc/69/79/35/1029697935.db2.gz XMFCHXQSZYEOSZ-LJQANCHMSA-N 1 2 326.396 3.785 20 5 EHBDLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000340444196 1030375759 /nfs/dbraw/zinc/37/57/59/1030375759.db2.gz GXBKNPKOZFICBI-WDEREUQCSA-N 1 2 349.337 3.551 20 5 EHBDLO O=[N+]([O-])c1ccc(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)c(Cl)c1 ZINC000611791698 1030925340 /nfs/dbraw/zinc/92/53/40/1030925340.db2.gz KXRZKJMEMODMRO-UHFFFAOYSA-N 1 2 342.786 3.724 20 5 EHBDLO CCCc1nc(C)c(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)o1 ZINC000595040685 1033660817 /nfs/dbraw/zinc/66/08/17/1033660817.db2.gz ZHRRDBDRGGPQLO-LLVKDONJSA-N 1 2 333.388 3.703 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](CCO)c1ccccc1F ZINC000595045400 1033662673 /nfs/dbraw/zinc/66/26/73/1033662673.db2.gz MYTAPBHFSOSKGU-PXAZEXFGSA-N 1 2 348.374 3.517 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](c1ccccc1F)[C@@H](C)O ZINC000595048631 1033664895 /nfs/dbraw/zinc/66/48/95/1033664895.db2.gz XIEBIOYEUDELCO-IUUKEHGRSA-N 1 2 348.374 3.515 20 5 EHBDLO COCc1cc[nH+]c(N[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000593725732 1033858324 /nfs/dbraw/zinc/85/83/24/1033858324.db2.gz RJALOEANPSAAIP-INIZCTEOSA-N 1 2 327.384 3.569 20 5 EHBDLO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000599505101 1033965168 /nfs/dbraw/zinc/96/51/68/1033965168.db2.gz KNSLEXWTDHSMEZ-UHFFFAOYSA-N 1 2 348.349 3.916 20 5 EHBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)Cc2cccc(Cl)c2)c1 ZINC000589495387 1036436987 /nfs/dbraw/zinc/43/69/87/1036436987.db2.gz VLGLBYSRCJRYDF-UHFFFAOYSA-N 1 2 348.786 3.667 20 5 EHBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)Cc2cccc(Cl)c2)c1 ZINC000589495387 1036436997 /nfs/dbraw/zinc/43/69/97/1036436997.db2.gz VLGLBYSRCJRYDF-UHFFFAOYSA-N 1 2 348.786 3.667 20 5 EHBDLO COc1ccc(C[N@H+](C)Cc2csc([N+](=O)[O-])c2)cc1Cl ZINC000412024404 1036734645 /nfs/dbraw/zinc/73/46/45/1036734645.db2.gz BVRXIRWVWGFFEV-UHFFFAOYSA-N 1 2 326.805 3.950 20 5 EHBDLO COc1ccc(C[N@@H+](C)Cc2csc([N+](=O)[O-])c2)cc1Cl ZINC000412024404 1036734665 /nfs/dbraw/zinc/73/46/65/1036734665.db2.gz BVRXIRWVWGFFEV-UHFFFAOYSA-N 1 2 326.805 3.950 20 5 EHBDLO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000271728672 1037038931 /nfs/dbraw/zinc/03/89/31/1037038931.db2.gz YAIVKOVATWDYQW-GFCCVEGCSA-N 1 2 341.367 3.904 20 5 EHBDLO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000539827041 1037252950 /nfs/dbraw/zinc/25/29/50/1037252950.db2.gz UJJBLBRXERHNDY-LJQANCHMSA-N 1 2 326.396 3.785 20 5 EHBDLO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000539827041 1037252958 /nfs/dbraw/zinc/25/29/58/1037252958.db2.gz UJJBLBRXERHNDY-LJQANCHMSA-N 1 2 326.396 3.785 20 5 EHBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(C)(C)CC1 ZINC000532524618 1037551093 /nfs/dbraw/zinc/55/10/93/1037551093.db2.gz FYOLTLWPLOXPEN-LLVKDONJSA-N 1 2 339.823 3.697 20 5 EHBDLO CC1(C)C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCS1 ZINC000555380278 1040506338 /nfs/dbraw/zinc/50/63/38/1040506338.db2.gz PXPDTUISGVRQCU-UHFFFAOYSA-N 1 2 334.363 3.941 20 5 EHBDLO CC1(C)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCS1 ZINC000555380278 1040506357 /nfs/dbraw/zinc/50/63/57/1040506357.db2.gz PXPDTUISGVRQCU-UHFFFAOYSA-N 1 2 334.363 3.941 20 5 EHBDLO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000511862539 1041746152 /nfs/dbraw/zinc/74/61/52/1041746152.db2.gz WIPBVYOBGFRLIM-BEFAXECRSA-N 1 2 326.396 3.865 20 5 EHBDLO Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000511862539 1041746156 /nfs/dbraw/zinc/74/61/56/1041746156.db2.gz WIPBVYOBGFRLIM-BEFAXECRSA-N 1 2 326.396 3.865 20 5 EHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCc2occc2C1 ZINC000344233002 1043490752 /nfs/dbraw/zinc/49/07/52/1043490752.db2.gz HEQMUEBXNGGQNV-UHFFFAOYSA-N 1 2 330.384 3.923 20 5 EHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCc2occc2C1 ZINC000344233002 1043490760 /nfs/dbraw/zinc/49/07/60/1043490760.db2.gz HEQMUEBXNGGQNV-UHFFFAOYSA-N 1 2 330.384 3.923 20 5 EHBDLO CCOc1cc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)ccc1OC ZINC000093338298 1129584427 /nfs/dbraw/zinc/58/44/27/1129584427.db2.gz FJKJSDVKSWKQDP-UHFFFAOYSA-N 1 2 342.395 3.560 20 5 EHBDLO CCOc1cc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)ccc1OC ZINC000093338298 1129584431 /nfs/dbraw/zinc/58/44/31/1129584431.db2.gz FJKJSDVKSWKQDP-UHFFFAOYSA-N 1 2 342.395 3.560 20 5 EHBDLO CC1(C)C[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CCS1 ZINC000162903772 1129911526 /nfs/dbraw/zinc/91/15/26/1129911526.db2.gz ILXHYZAVOZGEQH-UHFFFAOYSA-N 1 2 345.262 3.685 20 5 EHBDLO CC1(C)C[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CCS1 ZINC000162903772 1129911529 /nfs/dbraw/zinc/91/15/29/1129911529.db2.gz ILXHYZAVOZGEQH-UHFFFAOYSA-N 1 2 345.262 3.685 20 5 EHBDLO Cc1cc(C)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c(C)[nH+]1 ZINC000172044199 1130101620 /nfs/dbraw/zinc/10/16/20/1130101620.db2.gz UBFQJYHUIXGPFU-UHFFFAOYSA-N 1 2 333.775 3.750 20 5 EHBDLO CCC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)(C)C ZINC001129006682 1130392270 /nfs/dbraw/zinc/39/22/70/1130392270.db2.gz HHYIJJLDSVIPTM-INIZCTEOSA-N 1 2 344.415 3.725 20 5 EHBDLO CN(C)c1ccc([NH+]2CCC(Nc3ccsc3[N+](=O)[O-])CC2)cc1 ZINC000742416816 1131721379 /nfs/dbraw/zinc/72/13/79/1131721379.db2.gz GKYFKEXUWYQPEG-UHFFFAOYSA-N 1 2 346.456 3.803 20 5 EHBDLO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CC(F)(F)C(F)(F)F)CC2 ZINC001172898670 1131883063 /nfs/dbraw/zinc/88/30/63/1131883063.db2.gz IMYDUEDUKSWLOM-LLVKDONJSA-N 1 2 338.276 3.629 20 5 EHBDLO CCOc1ccc(C[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C(C)C)cc1 ZINC000746051558 1132353335 /nfs/dbraw/zinc/35/33/35/1132353335.db2.gz OJPJIUWTXITGAG-UHFFFAOYSA-N 1 2 346.431 3.675 20 5 EHBDLO CCOc1ccc(C[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C(C)C)cc1 ZINC000746051558 1132353344 /nfs/dbraw/zinc/35/33/44/1132353344.db2.gz OJPJIUWTXITGAG-UHFFFAOYSA-N 1 2 346.431 3.675 20 5 EHBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1 ZINC001176797592 1132998884 /nfs/dbraw/zinc/99/88/84/1132998884.db2.gz AUTGHWMPIWCNDV-FRRDWIJNSA-N 1 2 345.365 3.613 20 5 EHBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1 ZINC001176797592 1132998880 /nfs/dbraw/zinc/99/88/80/1132998880.db2.gz AUTGHWMPIWCNDV-FRRDWIJNSA-N 1 2 345.365 3.613 20 5 EHBDLO Cc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000768170826 1133104932 /nfs/dbraw/zinc/10/49/32/1133104932.db2.gz WLBNLTIILKFYRG-UHFFFAOYSA-N 1 2 347.802 3.627 20 5 EHBDLO Cc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000768170826 1133104934 /nfs/dbraw/zinc/10/49/34/1133104934.db2.gz WLBNLTIILKFYRG-UHFFFAOYSA-N 1 2 347.802 3.627 20 5 EHBDLO COc1cccc2[nH]c(NCC(C)=Cc3cccc([N+](=O)[O-])c3)[nH+]c21 ZINC001179497400 1133256713 /nfs/dbraw/zinc/25/67/13/1133256713.db2.gz DKUVYFCIAZMVBC-XFXZXTDPSA-N 1 2 338.367 3.995 20 5 EHBDLO C[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788471056 1134128623 /nfs/dbraw/zinc/12/86/23/1134128623.db2.gz SDVGXYSFQSBJRA-UHFFFAOYSA-N 1 2 340.358 3.552 20 5 EHBDLO C[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788471056 1134128625 /nfs/dbraw/zinc/12/86/25/1134128625.db2.gz SDVGXYSFQSBJRA-UHFFFAOYSA-N 1 2 340.358 3.552 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC001190392122 1134690480 /nfs/dbraw/zinc/69/04/80/1134690480.db2.gz LKKBOQSCUAYFMA-KRWDZBQOSA-N 1 2 326.396 3.898 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC001190392122 1134690483 /nfs/dbraw/zinc/69/04/83/1134690483.db2.gz LKKBOQSCUAYFMA-KRWDZBQOSA-N 1 2 326.396 3.898 20 5 EHBDLO C[C@H](Nc1ccc(N2CCCCC2)[nH+]c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815614642 1136618905 /nfs/dbraw/zinc/61/89/05/1136618905.db2.gz WYTYCTXNUFBZIP-ZDUSSCGKSA-N 1 2 341.415 3.735 20 5 EHBDLO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1Br)c1ccns1 ZINC000716020243 1137478994 /nfs/dbraw/zinc/47/89/94/1137478994.db2.gz KLJBXRPUOIQSAL-QMMMGPOBSA-N 1 2 342.218 3.665 20 5 EHBDLO CCn1nc(C)c(C[N@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])c1C ZINC000877664941 1137684931 /nfs/dbraw/zinc/68/49/31/1137684931.db2.gz YYKAUQPOHPSAIJ-UHFFFAOYSA-N 1 2 336.823 3.713 20 5 EHBDLO CCn1nc(C)c(C[N@@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])c1C ZINC000877664941 1137684932 /nfs/dbraw/zinc/68/49/32/1137684932.db2.gz YYKAUQPOHPSAIJ-UHFFFAOYSA-N 1 2 336.823 3.713 20 5 EHBDLO Cc1ccc(C[N@@H+](C)Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)s1 ZINC000878045406 1137700551 /nfs/dbraw/zinc/70/05/51/1137700551.db2.gz YZUNJNSLIVTODL-UHFFFAOYSA-N 1 2 344.396 3.647 20 5 EHBDLO Cc1ccc(C[N@H+](C)Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)s1 ZINC000878045406 1137700552 /nfs/dbraw/zinc/70/05/52/1137700552.db2.gz YZUNJNSLIVTODL-UHFFFAOYSA-N 1 2 344.396 3.647 20 5 EHBDLO C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccc(C(F)(F)F)nc1 ZINC000880098520 1137768117 /nfs/dbraw/zinc/76/81/17/1137768117.db2.gz SZFBAKYRBQEZNH-SECBINFHSA-N 1 2 343.280 3.999 20 5 EHBDLO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331427001 1137908047 /nfs/dbraw/zinc/90/80/47/1137908047.db2.gz FQARHERREKIQII-LBPRGKRZSA-N 1 2 342.321 3.634 20 5 EHBDLO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331427001 1137908048 /nfs/dbraw/zinc/90/80/48/1137908048.db2.gz FQARHERREKIQII-LBPRGKRZSA-N 1 2 342.321 3.634 20 5 EHBDLO C[N@H+](Cc1ccccc1C(F)(F)F)Cc1cccnc1[N+](=O)[O-] ZINC000885937757 1138026683 /nfs/dbraw/zinc/02/66/83/1138026683.db2.gz JLNPHFKMXJZWHZ-UHFFFAOYSA-N 1 2 325.290 3.641 20 5 EHBDLO C[N@@H+](Cc1ccccc1C(F)(F)F)Cc1cccnc1[N+](=O)[O-] ZINC000885937757 1138026684 /nfs/dbraw/zinc/02/66/84/1138026684.db2.gz JLNPHFKMXJZWHZ-UHFFFAOYSA-N 1 2 325.290 3.641 20 5 EHBDLO CO[C@H](C)c1nc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cs1 ZINC000269109202 1141066029 /nfs/dbraw/zinc/06/60/29/1141066029.db2.gz VJSINOYHUCNPCZ-NWDGAFQWSA-N 1 2 335.429 3.918 20 5 EHBDLO Cc1c([C@H](C)[NH2+][C@H](CO)c2c(F)cccc2F)cccc1[N+](=O)[O-] ZINC000271550168 1141394663 /nfs/dbraw/zinc/39/46/63/1141394663.db2.gz ZUVBJQJLWMZJHL-XHDPSFHLSA-N 1 2 336.338 3.566 20 5 EHBDLO COc1cc(CNc2ccc(C3CCC3)c[nH+]2)c([N+](=O)[O-])cc1O ZINC000339564432 1014996841 /nfs/dbraw/zinc/99/68/41/1014996841.db2.gz JROMFBPACKARFB-UHFFFAOYSA-N 1 2 329.356 3.584 20 5 EHBDLO Cc1cccn2cc(Cc3nc(-c4ccc(C)c([N+](=O)[O-])c4)no3)[nH+]c12 ZINC000580253956 1018872874 /nfs/dbraw/zinc/87/28/74/1018872874.db2.gz SQUOYRZDUXGCBT-UHFFFAOYSA-N 1 2 349.350 3.500 20 5 EHBDLO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2nccn21 ZINC000449572844 1032827480 /nfs/dbraw/zinc/82/74/80/1032827480.db2.gz OGVWHFRJBXULBM-MLGOLLRUSA-N 1 2 338.367 3.847 20 5 EHBDLO C[C@@H]([NH2+][C@H](c1nnc[nH]1)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000602517093 1032927252 /nfs/dbraw/zinc/92/72/52/1032927252.db2.gz BWDRUNDZSPLTQW-WBMJQRKESA-N 1 2 329.404 3.685 20 5 EHBDLO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1cn(-c2ccccc2)nn1 ZINC000178068545 1021109067 /nfs/dbraw/zinc/10/90/67/1021109067.db2.gz MUNOUYMIAUVZSJ-ZIAGYGMSSA-N 1 2 337.383 3.587 20 5 EHBDLO COc1c(O)ccc(C[N@H+](Cc2cccs2)C2CC2)c1[N+](=O)[O-] ZINC000891599889 1022082639 /nfs/dbraw/zinc/08/26/39/1022082639.db2.gz ODEQTZKCVNZOFV-UHFFFAOYSA-N 1 2 334.397 3.535 20 5 EHBDLO COc1c(O)ccc(C[N@@H+](Cc2cccs2)C2CC2)c1[N+](=O)[O-] ZINC000891599889 1022082653 /nfs/dbraw/zinc/08/26/53/1022082653.db2.gz ODEQTZKCVNZOFV-UHFFFAOYSA-N 1 2 334.397 3.535 20 5 EHBDLO CCOc1cc(C[N@H+](C)Cc2ccc(Cl)nc2)ccc1[N+](=O)[O-] ZINC000276956826 1023472775 /nfs/dbraw/zinc/47/27/75/1023472775.db2.gz VBMWKQKNQPGKHH-UHFFFAOYSA-N 1 2 335.791 3.674 20 5 EHBDLO CCOc1cc(C[N@@H+](C)Cc2ccc(Cl)nc2)ccc1[N+](=O)[O-] ZINC000276956826 1023472778 /nfs/dbraw/zinc/47/27/78/1023472778.db2.gz VBMWKQKNQPGKHH-UHFFFAOYSA-N 1 2 335.791 3.674 20 5 EHBDLO Cc1cc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)ccc1[N+](=O)[O-] ZINC000063254692 1033143651 /nfs/dbraw/zinc/14/36/51/1033143651.db2.gz RQLFOHUIXMXYGC-UHFFFAOYSA-N 1 2 326.331 3.840 20 5 EHBDLO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)[nH]1 ZINC000277063919 1023739637 /nfs/dbraw/zinc/73/96/37/1023739637.db2.gz DKUNCSMVPZQMBA-WCFLWFBJSA-N 1 2 331.420 3.947 20 5 EHBDLO CCN1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000505427074 1024104308 /nfs/dbraw/zinc/10/43/08/1024104308.db2.gz JZCUXJLYTHWYFH-UHFFFAOYSA-N 1 2 349.818 3.646 20 5 EHBDLO CCc1cnc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000346188062 1024470027 /nfs/dbraw/zinc/47/00/27/1024470027.db2.gz UDEPGOHZRVHPNH-UHFFFAOYSA-N 1 2 347.440 3.657 20 5 EHBDLO Cc1[nH]c([C@@H]2CCCN2c2nc3ccccc3cc2[N+](=O)[O-])[nH+]c1C ZINC000895193928 1026090288 /nfs/dbraw/zinc/09/02/88/1026090288.db2.gz WLXULLXSOHXUCA-HNNXBMFYSA-N 1 2 337.383 3.824 20 5 EHBDLO Cc1c(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000051688927 1026295557 /nfs/dbraw/zinc/29/55/57/1026295557.db2.gz WVRDZGWLVKACNA-SFHVURJKSA-N 1 2 330.359 3.616 20 5 EHBDLO Cc1c(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000051688927 1026295563 /nfs/dbraw/zinc/29/55/63/1026295563.db2.gz WVRDZGWLVKACNA-SFHVURJKSA-N 1 2 330.359 3.616 20 5 EHBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3Cc4ccccc4C4(CC4)C3)nc2c1 ZINC000186203540 1026324475 /nfs/dbraw/zinc/32/44/75/1026324475.db2.gz YRJHNLMCOOTWOR-UHFFFAOYSA-N 1 2 335.363 3.783 20 5 EHBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3Cc4ccccc4C4(CC4)C3)nc2c1 ZINC000186203540 1026324486 /nfs/dbraw/zinc/32/44/86/1026324486.db2.gz YRJHNLMCOOTWOR-UHFFFAOYSA-N 1 2 335.363 3.783 20 5 EHBDLO Cc1cc(Nc2ccc([N+](=O)[O-])cn2)c[nH+]c1N1CCCC[C@H]1C ZINC000503274988 1027699244 /nfs/dbraw/zinc/69/92/44/1027699244.db2.gz ILIRXAXISJHGSF-CYBMUJFWSA-N 1 2 327.388 3.816 20 5 EHBDLO Cc1cc(C)c(CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c[nH+]1 ZINC000455141006 1027739439 /nfs/dbraw/zinc/73/94/39/1027739439.db2.gz MYUIULXPWMULKQ-UHFFFAOYSA-N 1 2 328.372 3.545 20 5 EHBDLO CC[C@@H](CO)[N@H+](Cc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000347339455 1027921500 /nfs/dbraw/zinc/92/15/00/1027921500.db2.gz IGCJHWPDSQICKF-HNNXBMFYSA-N 1 2 332.375 3.507 20 5 EHBDLO CC[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000347339455 1027921511 /nfs/dbraw/zinc/92/15/11/1027921511.db2.gz IGCJHWPDSQICKF-HNNXBMFYSA-N 1 2 332.375 3.507 20 5 EHBDLO CCc1ccc([C@@H]([NH2+]CCN2CCCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612406303 1028065612 /nfs/dbraw/zinc/06/56/12/1028065612.db2.gz DDYNGXDCJXXKMX-IBGZPJMESA-N 1 2 343.427 3.525 20 5 EHBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1cc(F)cc(F)c1 ZINC000444717234 1028208878 /nfs/dbraw/zinc/20/88/78/1028208878.db2.gz RQCUESLJKAOTJH-UHFFFAOYSA-N 1 2 333.294 3.646 20 5 EHBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1cc(F)cc(F)c1 ZINC000444717234 1028208900 /nfs/dbraw/zinc/20/89/00/1028208900.db2.gz RQCUESLJKAOTJH-UHFFFAOYSA-N 1 2 333.294 3.646 20 5 EHBDLO Cc1cc(C)c(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000455476103 1028210922 /nfs/dbraw/zinc/21/09/22/1028210922.db2.gz LKVXMUMNAADAGH-GFCCVEGCSA-N 1 2 328.372 3.798 20 5 EHBDLO Cc1ccccc1[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000525786188 1030124767 /nfs/dbraw/zinc/12/47/67/1030124767.db2.gz UYJUEEZOVWQCJV-HNAYVOBHSA-N 1 2 326.396 3.865 20 5 EHBDLO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000525786188 1030124779 /nfs/dbraw/zinc/12/47/79/1030124779.db2.gz UYJUEEZOVWQCJV-HNAYVOBHSA-N 1 2 326.396 3.865 20 5 EHBDLO C[C@]1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCOc2ccccc21 ZINC000897384245 1031566869 /nfs/dbraw/zinc/56/68/69/1031566869.db2.gz BRTGCIOYNPOOQA-SFHVURJKSA-N 1 2 339.351 3.524 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000052803229 1031709568 /nfs/dbraw/zinc/70/95/68/1031709568.db2.gz MYAQMULOCYYETH-INIZCTEOSA-N 1 2 345.424 3.740 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000052803229 1031709578 /nfs/dbraw/zinc/70/95/78/1031709578.db2.gz MYAQMULOCYYETH-INIZCTEOSA-N 1 2 345.424 3.740 20 5 EHBDLO CCn1c2ccc(F)cc2[nH+]c1NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000128916435 1031975215 /nfs/dbraw/zinc/97/52/15/1031975215.db2.gz RUSFPVHBDCNDEH-UHFFFAOYSA-N 1 2 344.346 3.724 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000595030579 1033653187 /nfs/dbraw/zinc/65/31/87/1033653187.db2.gz SDFXVQGUURDBFW-ZDUSSCGKSA-N 1 2 342.399 3.772 20 5 EHBDLO CC(C)[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCS1 ZINC000537621665 1034234494 /nfs/dbraw/zinc/23/44/94/1034234494.db2.gz BMLXMCVJOXALBV-CQSZACIVSA-N 1 2 346.399 3.770 20 5 EHBDLO CC(C)[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCS1 ZINC000537621665 1034234505 /nfs/dbraw/zinc/23/45/05/1034234505.db2.gz BMLXMCVJOXALBV-CQSZACIVSA-N 1 2 346.399 3.770 20 5 EHBDLO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCO1 ZINC000179858505 1034808806 /nfs/dbraw/zinc/80/88/06/1034808806.db2.gz PZGJDOZDQYAYMB-LLVKDONJSA-N 1 2 336.775 3.729 20 5 EHBDLO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCO1 ZINC000179858505 1034808814 /nfs/dbraw/zinc/80/88/14/1034808814.db2.gz PZGJDOZDQYAYMB-LLVKDONJSA-N 1 2 336.775 3.729 20 5 EHBDLO CC(C)(C)c1ccc(C(=O)Nc2cccc3[nH+]ccn32)cc1[N+](=O)[O-] ZINC000460343292 1035928525 /nfs/dbraw/zinc/92/85/25/1035928525.db2.gz YOAGXUOXGAEIST-UHFFFAOYSA-N 1 2 338.367 3.792 20 5 EHBDLO COc1cc2c(cc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-])O[C@@H](C)C2 ZINC000535077133 1036001443 /nfs/dbraw/zinc/00/14/43/1036001443.db2.gz QQQKZLSSTBHRPA-ZDUSSCGKSA-N 1 2 342.395 3.559 20 5 EHBDLO COc1cc2c(cc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])O[C@@H](C)C2 ZINC000535077133 1036001465 /nfs/dbraw/zinc/00/14/65/1036001465.db2.gz QQQKZLSSTBHRPA-ZDUSSCGKSA-N 1 2 342.395 3.559 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000492686219 1036175768 /nfs/dbraw/zinc/17/57/68/1036175768.db2.gz XZEBAKADFNODIR-STQMWFEESA-N 1 2 345.365 3.533 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000492686219 1036175779 /nfs/dbraw/zinc/17/57/79/1036175779.db2.gz XZEBAKADFNODIR-STQMWFEESA-N 1 2 345.365 3.533 20 5 EHBDLO COc1cc2c(cc1F)C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC2 ZINC000539670361 1037060184 /nfs/dbraw/zinc/06/01/84/1037060184.db2.gz IYDFZTYDBVTDGA-XQRVVYSFSA-N 1 2 342.370 3.814 20 5 EHBDLO COc1cc2c(cc1F)C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC2 ZINC000539670361 1037060203 /nfs/dbraw/zinc/06/02/03/1037060203.db2.gz IYDFZTYDBVTDGA-XQRVVYSFSA-N 1 2 342.370 3.814 20 5 EHBDLO CC(C)c1[nH+]c2c(n1C)CCN(Cc1c(Cl)cccc1[N+](=O)[O-])C2 ZINC000493248808 1037198330 /nfs/dbraw/zinc/19/83/30/1037198330.db2.gz AVJQCORIKYGEMT-UHFFFAOYSA-N 1 2 348.834 3.663 20 5 EHBDLO CCCCCC[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032141180 1037687884 /nfs/dbraw/zinc/68/78/84/1037687884.db2.gz KISRJIILSGCNDR-CQSZACIVSA-N 1 2 344.415 3.869 20 5 EHBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CCO)c2ccccc2F)c(Cl)c1 ZINC000592159101 1037899773 /nfs/dbraw/zinc/89/97/73/1037899773.db2.gz BNIYVBAZHAUNNO-INIZCTEOSA-N 1 2 338.766 3.601 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000485745263 1039507020 /nfs/dbraw/zinc/50/70/20/1039507020.db2.gz PJUGPNXEDNEACC-CYBMUJFWSA-N 1 2 345.374 3.674 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000485745263 1039507035 /nfs/dbraw/zinc/50/70/35/1039507035.db2.gz PJUGPNXEDNEACC-CYBMUJFWSA-N 1 2 345.374 3.674 20 5 EHBDLO CCc1cnc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)s1 ZINC000487178699 1040768296 /nfs/dbraw/zinc/76/82/96/1040768296.db2.gz BVYHJDDKFLXBEH-UHFFFAOYSA-N 1 2 345.346 3.922 20 5 EHBDLO COc1ccc(C[N@H+](C)[C@H](C)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000487826698 1041117229 /nfs/dbraw/zinc/11/72/29/1041117229.db2.gz WBJROTYXKSSUPO-CYBMUJFWSA-N 1 2 330.384 3.805 20 5 EHBDLO COc1ccc(C[N@@H+](C)[C@H](C)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000487826698 1041117239 /nfs/dbraw/zinc/11/72/39/1041117239.db2.gz WBJROTYXKSSUPO-CYBMUJFWSA-N 1 2 330.384 3.805 20 5 EHBDLO Cc1ccc([C@H](C)[NH2+][C@H](C)c2nnc3n2CCCCC3)cc1[N+](=O)[O-] ZINC000326815551 1128450575 /nfs/dbraw/zinc/45/05/75/1128450575.db2.gz WLAHNLCSRQYTOM-UONOGXRCSA-N 1 2 343.431 3.633 20 5 EHBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2csc(CC)n2)cc1[N+](=O)[O-] ZINC000153685594 1128597495 /nfs/dbraw/zinc/59/74/95/1128597495.db2.gz WFRLKZMREHOBLU-LLVKDONJSA-N 1 2 335.429 3.863 20 5 EHBDLO Cn1ccnc1[C@@H]([NH2+]C/C=C\c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000556868438 1123159243 /nfs/dbraw/zinc/15/92/43/1123159243.db2.gz VFPOZDUHEDWWQI-ZXYDQQDNSA-N 1 2 348.406 3.721 20 5 EHBDLO CCOc1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1OC ZINC000093338409 1129584640 /nfs/dbraw/zinc/58/46/40/1129584640.db2.gz VQBHGDSAVXVALE-UHFFFAOYSA-N 1 2 342.395 3.560 20 5 EHBDLO CCOc1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1OC ZINC000093338409 1129584643 /nfs/dbraw/zinc/58/46/43/1129584643.db2.gz VQBHGDSAVXVALE-UHFFFAOYSA-N 1 2 342.395 3.560 20 5 EHBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(F)c2)no1 ZINC000174665103 1130376049 /nfs/dbraw/zinc/37/60/49/1130376049.db2.gz GZHCJXYWQYSYIO-NSHDSACASA-N 1 2 342.330 3.635 20 5 EHBDLO CC[N@H+](Cc1ccncc1)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000348071642 1131139240 /nfs/dbraw/zinc/13/92/40/1131139240.db2.gz LAADVMKGWFKNRX-UHFFFAOYSA-N 1 2 329.400 3.799 20 5 EHBDLO CC[N@@H+](Cc1ccncc1)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000348071642 1131139243 /nfs/dbraw/zinc/13/92/43/1131139243.db2.gz LAADVMKGWFKNRX-UHFFFAOYSA-N 1 2 329.400 3.799 20 5 EHBDLO Cc1[nH]c([C@@H]2CCCN2Cc2ccc(Cl)c([N+](=O)[O-])c2)[nH+]c1C ZINC001176078505 1132830144 /nfs/dbraw/zinc/83/01/44/1132830144.db2.gz RGCZAMBIDMZMLW-AWEZNQCLSA-N 1 2 334.807 3.925 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cc(C)cc(Cl)n1 ZINC000850467253 1136264536 /nfs/dbraw/zinc/26/45/36/1136264536.db2.gz NPOFMVMBIITSTP-NSHDSACASA-N 1 2 335.791 3.811 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000851882675 1136416114 /nfs/dbraw/zinc/41/61/14/1136416114.db2.gz DDHTXAYVXZVAEZ-UHFFFAOYSA-N 1 2 345.330 3.807 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000851882675 1136416115 /nfs/dbraw/zinc/41/61/15/1136416115.db2.gz DDHTXAYVXZVAEZ-UHFFFAOYSA-N 1 2 345.330 3.807 20 5 EHBDLO CCCC[N@H+](C)c1ccc(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1 ZINC000853297146 1136524347 /nfs/dbraw/zinc/52/43/47/1136524347.db2.gz UUEKRGNMOQQKTN-UHFFFAOYSA-N 1 2 342.399 3.674 20 5 EHBDLO CCCC[N@@H+](C)c1ccc(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1 ZINC000853297146 1136524349 /nfs/dbraw/zinc/52/43/49/1136524349.db2.gz UUEKRGNMOQQKTN-UHFFFAOYSA-N 1 2 342.399 3.674 20 5 EHBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c(C(F)F)c1 ZINC000865638147 1137300794 /nfs/dbraw/zinc/30/07/94/1137300794.db2.gz WZUYSUDPCQQLSM-LLVKDONJSA-N 1 2 334.326 3.618 20 5 EHBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1(Br)CC1 ZINC000846817132 1137369114 /nfs/dbraw/zinc/36/91/14/1137369114.db2.gz KYKXNHZGUWDJQI-UHFFFAOYSA-N 1 2 333.613 3.608 20 5 EHBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1(Br)CC1 ZINC000846817132 1137369116 /nfs/dbraw/zinc/36/91/16/1137369116.db2.gz KYKXNHZGUWDJQI-UHFFFAOYSA-N 1 2 333.613 3.608 20 5 EHBDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000795193730 1137562661 /nfs/dbraw/zinc/56/26/61/1137562661.db2.gz VMJOOVLUCFAJRA-CYBMUJFWSA-N 1 2 347.365 3.584 20 5 EHBDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000795193730 1137562662 /nfs/dbraw/zinc/56/26/62/1137562662.db2.gz VMJOOVLUCFAJRA-CYBMUJFWSA-N 1 2 347.365 3.584 20 5 EHBDLO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000872047683 1137567724 /nfs/dbraw/zinc/56/77/24/1137567724.db2.gz COJRLOYNOCUDQC-IINYFYTJSA-N 1 2 332.429 3.768 20 5 EHBDLO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000872075473 1137569849 /nfs/dbraw/zinc/56/98/49/1137569849.db2.gz CTZJCPJXJDBJIT-UHIISALHSA-N 1 2 332.429 3.870 20 5 EHBDLO C[C@@H]([NH2+][C@H](CCO)c1ccccc1F)c1c(F)cccc1[N+](=O)[O-] ZINC000872080781 1137570324 /nfs/dbraw/zinc/57/03/24/1137570324.db2.gz BUEZRCUWYAUWIY-IAQYHMDHSA-N 1 2 336.338 3.647 20 5 EHBDLO CC1(C)C[C@H]([NH2+]C2(c3ncccn3)CCC2)c2cc([N+](=O)[O-])ccc21 ZINC000883312080 1137854180 /nfs/dbraw/zinc/85/41/80/1137854180.db2.gz SSHAJKSCFQMYPZ-INIZCTEOSA-N 1 2 338.411 3.776 20 5 EHBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1(c2nccs2)CCCC1 ZINC000081607212 1138170506 /nfs/dbraw/zinc/17/05/06/1138170506.db2.gz UWOJUDGGCZFOLA-UHFFFAOYSA-N 1 2 333.413 3.619 20 5 EHBDLO CC(C)COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccco1 ZINC000282996283 1138416260 /nfs/dbraw/zinc/41/62/60/1138416260.db2.gz FGOYONNEEUTUHN-OAHLLOKOSA-N 1 2 336.363 3.830 20 5 EHBDLO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194050319 1140594754 /nfs/dbraw/zinc/59/47/54/1140594754.db2.gz VWPHLDFVZKHOFC-INIZCTEOSA-N 1 2 344.371 3.569 20 5 EHBDLO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194050319 1140594760 /nfs/dbraw/zinc/59/47/60/1140594760.db2.gz VWPHLDFVZKHOFC-INIZCTEOSA-N 1 2 344.371 3.569 20 5 EHBDLO CC[C@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000271448764 1141369836 /nfs/dbraw/zinc/36/98/36/1141369836.db2.gz HWMVYQOFOZBERQ-JKSUJKDBSA-N 1 2 336.338 3.647 20 5 EHBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000054531909 214243820 /nfs/dbraw/zinc/24/38/20/214243820.db2.gz DBGUJCBGNLLQFP-UHFFFAOYSA-N 1 2 331.803 3.570 20 5 EHBDLO Cc1nc(N2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)sc1C ZINC000157542983 1015075272 /nfs/dbraw/zinc/07/52/72/1015075272.db2.gz MOUPPGYSXSBVQD-ZDUSSCGKSA-N 1 2 346.456 3.551 20 5 EHBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000602152621 1032682045 /nfs/dbraw/zinc/68/20/45/1032682045.db2.gz QJOHDGDFBVQSNA-OAHLLOKOSA-N 1 2 330.388 3.634 20 5 EHBDLO CC[C@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](CC)CO1 ZINC000593057168 1032688024 /nfs/dbraw/zinc/68/80/24/1032688024.db2.gz CNGPBPNJEVCWLZ-RDJZCZTQSA-N 1 2 345.399 3.639 20 5 EHBDLO CC[C@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](CC)CO1 ZINC000593057168 1032688031 /nfs/dbraw/zinc/68/80/31/1032688031.db2.gz CNGPBPNJEVCWLZ-RDJZCZTQSA-N 1 2 345.399 3.639 20 5 EHBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)c(F)c1 ZINC000449584666 1032850094 /nfs/dbraw/zinc/85/00/94/1032850094.db2.gz JWGGRBQCFRPKDJ-CYBMUJFWSA-N 1 2 340.276 3.928 20 5 EHBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCCNc1cccc[nH+]1 ZINC000060842775 1033031193 /nfs/dbraw/zinc/03/11/93/1033031193.db2.gz KRMIRXJIBBAMTR-UHFFFAOYSA-N 1 2 340.305 3.923 20 5 EHBDLO Cc1nc(NC2CCC(Nc3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000346103964 1024404402 /nfs/dbraw/zinc/40/44/02/1024404402.db2.gz OTZDBNADDMLJEP-UHFFFAOYSA-N 1 2 327.388 3.528 20 5 EHBDLO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)[nH]1 ZINC000277369118 1024781227 /nfs/dbraw/zinc/78/12/27/1024781227.db2.gz WUIJNULDJIPNAQ-UHTWSYAYSA-N 1 2 331.420 3.947 20 5 EHBDLO O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000087225532 1024885225 /nfs/dbraw/zinc/88/52/25/1024885225.db2.gz HEDFHIJMYXXNEA-UHFFFAOYSA-N 1 2 336.351 3.556 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000248616797 1025043709 /nfs/dbraw/zinc/04/37/09/1025043709.db2.gz MBTWCLVYGLKWIZ-SUMWQHHRSA-N 1 2 332.425 3.927 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000248616797 1025043717 /nfs/dbraw/zinc/04/37/17/1025043717.db2.gz MBTWCLVYGLKWIZ-SUMWQHHRSA-N 1 2 332.425 3.927 20 5 EHBDLO CCSCc1ccc[nH+]c1NCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000896030485 1025095562 /nfs/dbraw/zinc/09/55/62/1025095562.db2.gz LPIRSKSFCLIFNN-UHFFFAOYSA-N 1 2 349.412 3.569 20 5 EHBDLO CCC1(CC)C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC[S@]1=O ZINC000248975780 1027238275 /nfs/dbraw/zinc/23/82/75/1027238275.db2.gz HPADLINXUCBUMW-QKFKETGDSA-N 1 2 338.473 3.587 20 5 EHBDLO CCC1(CC)C[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC[S@]1=O ZINC000248975780 1027238297 /nfs/dbraw/zinc/23/82/97/1027238297.db2.gz HPADLINXUCBUMW-QKFKETGDSA-N 1 2 338.473 3.587 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1COc2cc(F)cc(F)c21 ZINC000612422661 1028086812 /nfs/dbraw/zinc/08/68/12/1028086812.db2.gz REYCKGQZUSRZSB-MEBBXXQBSA-N 1 2 334.322 3.966 20 5 EHBDLO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(F)c1F ZINC000444684247 1028157245 /nfs/dbraw/zinc/15/72/45/1028157245.db2.gz KXUJVLSYAXYSQY-SECBINFHSA-N 1 2 332.310 3.600 20 5 EHBDLO COC(=O)c1sccc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000447373290 1030145342 /nfs/dbraw/zinc/14/53/42/1030145342.db2.gz HULFMWXZUBKUDU-UHFFFAOYSA-N 1 2 348.424 3.854 20 5 EHBDLO COC(=O)c1sccc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000447373290 1030145349 /nfs/dbraw/zinc/14/53/49/1030145349.db2.gz HULFMWXZUBKUDU-UHFFFAOYSA-N 1 2 348.424 3.854 20 5 EHBDLO CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C)n3ccnc32)cc1[N+](=O)[O-] ZINC000453378882 1030201184 /nfs/dbraw/zinc/20/11/84/1030201184.db2.gz ZUMZICDUNSZMMX-DYEKYZERSA-N 1 2 330.388 3.547 20 5 EHBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000302802785 1031153406 /nfs/dbraw/zinc/15/34/06/1031153406.db2.gz DDAFCXITNCIZFZ-IAQYHMDHSA-N 1 2 334.807 3.841 20 5 EHBDLO CO[C@H](C)c1nc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cs1 ZINC000278704905 1032056874 /nfs/dbraw/zinc/05/68/74/1032056874.db2.gz LEARDFXIBPOVPC-BDJLRTHQSA-N 1 2 347.440 3.926 20 5 EHBDLO C[N@H+](Cc1cc2c(c(Cl)c1)OCO2)Cc1ccccc1[N+](=O)[O-] ZINC000046599184 1033332881 /nfs/dbraw/zinc/33/28/81/1033332881.db2.gz PCYJJQYLZKEPBF-UHFFFAOYSA-N 1 2 334.759 3.609 20 5 EHBDLO C[N@@H+](Cc1cc2c(c(Cl)c1)OCO2)Cc1ccccc1[N+](=O)[O-] ZINC000046599184 1033332896 /nfs/dbraw/zinc/33/28/96/1033332896.db2.gz PCYJJQYLZKEPBF-UHFFFAOYSA-N 1 2 334.759 3.609 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](c1ccccc1F)[C@H](C)O ZINC000595048635 1033665420 /nfs/dbraw/zinc/66/54/20/1033665420.db2.gz XIEBIOYEUDELCO-PZROIBLQSA-N 1 2 348.374 3.515 20 5 EHBDLO COc1ccccc1[C@H]1CCCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595317712 1033737342 /nfs/dbraw/zinc/73/73/42/1033737342.db2.gz LBLBTSDTFLAUNQ-CQSZACIVSA-N 1 2 331.372 3.627 20 5 EHBDLO COc1ccccc1[C@H]1CCCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595317712 1033737357 /nfs/dbraw/zinc/73/73/57/1033737357.db2.gz LBLBTSDTFLAUNQ-CQSZACIVSA-N 1 2 331.372 3.627 20 5 EHBDLO Cc1noc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000595411298 1033790266 /nfs/dbraw/zinc/79/02/66/1033790266.db2.gz ZWIMAFYHCSWPHX-MRVPVSSYSA-N 1 2 329.278 3.761 20 5 EHBDLO C[C@@H](Nc1[nH+]cnc2c1cnn2C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000179761129 1034595471 /nfs/dbraw/zinc/59/54/71/1034595471.db2.gz VQTIJWPNSCWVMD-LLVKDONJSA-N 1 2 340.387 3.663 20 5 EHBDLO O=[N+]([O-])c1cc(F)ccc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000057522525 1036904361 /nfs/dbraw/zinc/90/43/61/1036904361.db2.gz RJMGEUUIYLVVKN-UHFFFAOYSA-N 1 2 349.793 3.710 20 5 EHBDLO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@H]1OCCc2ccccc21 ZINC000493901409 1037722064 /nfs/dbraw/zinc/72/20/64/1037722064.db2.gz UEZXXKIYJQARKM-GOSISDBHSA-N 1 2 346.814 3.994 20 5 EHBDLO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@H]1OCCc2ccccc21 ZINC000493901409 1037722085 /nfs/dbraw/zinc/72/20/85/1037722085.db2.gz UEZXXKIYJQARKM-GOSISDBHSA-N 1 2 346.814 3.994 20 5 EHBDLO Cc1cc(C)c(NC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])c(C)[nH+]1 ZINC000491291070 1037884965 /nfs/dbraw/zinc/88/49/65/1037884965.db2.gz LHQDZZDMGQDQPF-ALCCZGGFSA-N 1 2 329.331 3.706 20 5 EHBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H](CCO)c1ccccc1F ZINC000592159746 1037901790 /nfs/dbraw/zinc/90/17/90/1037901790.db2.gz FKDNCFISZWLVPW-HNNXBMFYSA-N 1 2 338.766 3.601 20 5 EHBDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000078463399 1037902943 /nfs/dbraw/zinc/90/29/43/1037902943.db2.gz JTPNRUGXOPOENN-CYBMUJFWSA-N 1 2 346.818 3.526 20 5 EHBDLO CCc1ccc([C@@H]([NH2+]Cc2ccn(C)c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542475750 1038022234 /nfs/dbraw/zinc/02/22/34/1038022234.db2.gz HDOKPTPQOVUFBB-IBGZPJMESA-N 1 2 339.395 3.968 20 5 EHBDLO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc(C(F)(F)F)on1 ZINC000492153195 1038055345 /nfs/dbraw/zinc/05/53/45/1038055345.db2.gz QBUFDMMTQVBNRO-UHFFFAOYSA-N 1 2 329.278 3.627 20 5 EHBDLO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1c(F)cccc1Cl ZINC000058562989 1038123187 /nfs/dbraw/zinc/12/31/87/1038123187.db2.gz PNOOFIHHVGNSJM-UHFFFAOYSA-N 1 2 338.766 3.898 20 5 EHBDLO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1c(F)cccc1Cl ZINC000058562989 1038123222 /nfs/dbraw/zinc/12/32/22/1038123222.db2.gz PNOOFIHHVGNSJM-UHFFFAOYSA-N 1 2 338.766 3.898 20 5 EHBDLO O=[N+]([O-])c1ccc(N2CCC(c3c[nH]c[nH+]3)CC2)cc1C(F)(F)F ZINC000378275643 1038363997 /nfs/dbraw/zinc/36/39/97/1038363997.db2.gz WEJOJPCOLQURTJ-UHFFFAOYSA-N 1 2 340.305 3.721 20 5 EHBDLO CC[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](CC)CO1 ZINC000593057167 1041201291 /nfs/dbraw/zinc/20/12/91/1041201291.db2.gz CNGPBPNJEVCWLZ-NVXWUHKLSA-N 1 2 345.399 3.639 20 5 EHBDLO CC[C@@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](CC)CO1 ZINC000593057167 1041201306 /nfs/dbraw/zinc/20/13/06/1041201306.db2.gz CNGPBPNJEVCWLZ-NVXWUHKLSA-N 1 2 345.399 3.639 20 5 EHBDLO CC(C)[N@H+](Cc1noc2c1CCCC2)Cc1ccc([N+](=O)[O-])cc1 ZINC000108856701 1042107348 /nfs/dbraw/zinc/10/73/48/1042107348.db2.gz CGCGTTAZLVUGEZ-UHFFFAOYSA-N 1 2 329.400 3.872 20 5 EHBDLO CC(C)[N@@H+](Cc1noc2c1CCCC2)Cc1ccc([N+](=O)[O-])cc1 ZINC000108856701 1042107351 /nfs/dbraw/zinc/10/73/51/1042107351.db2.gz CGCGTTAZLVUGEZ-UHFFFAOYSA-N 1 2 329.400 3.872 20 5 EHBDLO COc1c(C)cnc(C[N@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)c1C ZINC000067226843 1042774565 /nfs/dbraw/zinc/77/45/65/1042774565.db2.gz DWRMDDDGBOMJGN-CQSZACIVSA-N 1 2 329.400 3.808 20 5 EHBDLO COc1c(C)cnc(C[N@@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)c1C ZINC000067226843 1042774571 /nfs/dbraw/zinc/77/45/71/1042774571.db2.gz DWRMDDDGBOMJGN-CQSZACIVSA-N 1 2 329.400 3.808 20 5 EHBDLO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1nccs1 ZINC000279442590 1044088698 /nfs/dbraw/zinc/08/86/98/1044088698.db2.gz HPVNNFQPSBQNIC-QMMMGPOBSA-N 1 2 331.319 3.921 20 5 EHBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]Cc3ccc(F)cn3)cs2)c1 ZINC000344906761 1044683217 /nfs/dbraw/zinc/68/32/17/1044683217.db2.gz AHWJSTVSTUJNNA-UHFFFAOYSA-N 1 2 344.371 3.542 20 5 EHBDLO O=[N+]([O-])c1ccc(C[NH+]2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1 ZINC000076180787 1125600431 /nfs/dbraw/zinc/60/04/31/1125600431.db2.gz QSBCCTVEPFXNIG-GHMZBOCLSA-N 1 2 342.239 3.767 20 5 EHBDLO Cc1cc(C)c(NC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)c(C)[nH+]1 ZINC001670648807 1120095130 /nfs/dbraw/zinc/09/51/30/1120095130.db2.gz MZFMJOGXVBKSPN-UHFFFAOYSA-N 1 2 328.372 3.545 20 5 EHBDLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000047533662 1120226910 /nfs/dbraw/zinc/22/69/10/1120226910.db2.gz OGGFEBHTTHKMNX-UHFFFAOYSA-N 1 2 342.742 3.686 20 5 EHBDLO COc1cc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)ccc1SC ZINC000153274926 1120931507 /nfs/dbraw/zinc/93/15/07/1120931507.db2.gz IJCLQMNDSZOHGV-UHFFFAOYSA-N 1 2 344.436 3.884 20 5 EHBDLO COc1cc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)ccc1SC ZINC000153274926 1120931512 /nfs/dbraw/zinc/93/15/12/1120931512.db2.gz IJCLQMNDSZOHGV-UHFFFAOYSA-N 1 2 344.436 3.884 20 5 EHBDLO Cc1ccc2nc(C[N@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)cn2c1 ZINC000153304437 1121656583 /nfs/dbraw/zinc/65/65/83/1121656583.db2.gz OPXBZVGKINTSHR-UHFFFAOYSA-N 1 2 336.395 3.716 20 5 EHBDLO Cc1ccc2nc(C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)cn2c1 ZINC000153304437 1121656586 /nfs/dbraw/zinc/65/65/86/1121656586.db2.gz OPXBZVGKINTSHR-UHFFFAOYSA-N 1 2 336.395 3.716 20 5 EHBDLO O=[N+]([O-])c1ccc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)cc1 ZINC000272612524 1121788453 /nfs/dbraw/zinc/78/84/53/1121788453.db2.gz ZRLUCAPDBDITCG-UHFFFAOYSA-N 1 2 348.406 3.597 20 5 EHBDLO O=[N+]([O-])c1cc(F)c(NCc2ccc(-n3cc[nH+]c3)c(F)c2)c(F)c1 ZINC000301757393 1129036476 /nfs/dbraw/zinc/03/64/76/1129036476.db2.gz ABMNEYUFSUABLJ-UHFFFAOYSA-N 1 2 348.284 3.810 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000619784386 1125404319 /nfs/dbraw/zinc/40/43/19/1125404319.db2.gz HAQGLEYIYVRTDJ-SFHVURJKSA-N 1 2 330.359 3.674 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000619784386 1125404322 /nfs/dbraw/zinc/40/43/22/1125404322.db2.gz HAQGLEYIYVRTDJ-SFHVURJKSA-N 1 2 330.359 3.674 20 5 EHBDLO COc1cc(Oc2cccc(-n3cc[nH+]c3)c2)c([N+](=O)[O-])cc1OC ZINC000301942202 1129398694 /nfs/dbraw/zinc/39/86/94/1129398694.db2.gz VLHFYDINOABKFW-UHFFFAOYSA-N 1 2 341.323 3.590 20 5 EHBDLO O=[N+]([O-])c1cccc(CNc2[nH]c3ccc(Br)cc3[nH+]2)c1 ZINC000082741751 1129513901 /nfs/dbraw/zinc/51/39/01/1129513901.db2.gz JCHLPHHSKCPRAW-UHFFFAOYSA-N 1 2 347.172 3.846 20 5 EHBDLO O=[N+]([O-])c1cccc(CNc2[nH]c3cc(Br)ccc3[nH+]2)c1 ZINC000082741751 1129513905 /nfs/dbraw/zinc/51/39/05/1129513905.db2.gz JCHLPHHSKCPRAW-UHFFFAOYSA-N 1 2 347.172 3.846 20 5 EHBDLO COc1ccc([C@@H](C)[NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)cc1F ZINC000508975853 1129604733 /nfs/dbraw/zinc/60/47/33/1129604733.db2.gz CZZDMFSFBUJTMK-SECBINFHSA-N 1 2 340.301 3.872 20 5 EHBDLO CC[C@@H]1CCCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000155662147 1129657318 /nfs/dbraw/zinc/65/73/18/1129657318.db2.gz SRGFPFBUKZWWDK-OAHLLOKOSA-N 1 2 342.399 3.575 20 5 EHBDLO C[C@H](c1cccs1)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000096990607 1129753930 /nfs/dbraw/zinc/75/39/30/1129753930.db2.gz MQRSKXOTSPYBMP-LLVKDONJSA-N 1 2 344.396 3.899 20 5 EHBDLO C[C@H](c1cccs1)[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000096990607 1129753934 /nfs/dbraw/zinc/75/39/34/1129753934.db2.gz MQRSKXOTSPYBMP-LLVKDONJSA-N 1 2 344.396 3.899 20 5 EHBDLO Cc1ccc(C[N@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)cc1[N+](=O)[O-] ZINC000245743567 1130319841 /nfs/dbraw/zinc/31/98/41/1130319841.db2.gz MHOXDXNVTDIBMA-SUMWQHHRSA-N 1 2 332.425 3.927 20 5 EHBDLO Cc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)cc1[N+](=O)[O-] ZINC000245743567 1130319847 /nfs/dbraw/zinc/31/98/47/1130319847.db2.gz MHOXDXNVTDIBMA-SUMWQHHRSA-N 1 2 332.425 3.927 20 5 EHBDLO COC(=O)[C@H](CC1CCCCC1)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173233465 1132010533 /nfs/dbraw/zinc/01/05/33/1132010533.db2.gz JBJVZEYDGVUTKW-KDOFPFPSSA-N 1 2 348.443 3.627 20 5 EHBDLO CC1(F)CC[NH+](Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC001175036075 1132545433 /nfs/dbraw/zinc/54/54/33/1132545433.db2.gz NXSOJVVIIVFFJY-UHFFFAOYSA-N 1 2 331.185 3.681 20 5 EHBDLO CCOc1cc(C[N@@H+]2CCCC[C@@H]2c2cc(C)n[nH]2)ccc1[N+](=O)[O-] ZINC001176485433 1132945440 /nfs/dbraw/zinc/94/54/40/1132945440.db2.gz NKFQBVRPPQXHEE-MRXNPFEDSA-N 1 2 344.415 3.752 20 5 EHBDLO CCOc1cc(C[N@H+]2CCCC[C@@H]2c2cc(C)n[nH]2)ccc1[N+](=O)[O-] ZINC001176485433 1132945449 /nfs/dbraw/zinc/94/54/49/1132945449.db2.gz NKFQBVRPPQXHEE-MRXNPFEDSA-N 1 2 344.415 3.752 20 5 EHBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC([N@H+](C)CC(F)F)CC1 ZINC000770103583 1133387194 /nfs/dbraw/zinc/38/71/94/1133387194.db2.gz DUELYCDVPUJDNQ-UHFFFAOYSA-N 1 2 347.793 3.722 20 5 EHBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000770103583 1133387200 /nfs/dbraw/zinc/38/72/00/1133387200.db2.gz DUELYCDVPUJDNQ-UHFFFAOYSA-N 1 2 347.793 3.722 20 5 EHBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc(F)cnc2Cl)cc1Cl ZINC001181986351 1133557159 /nfs/dbraw/zinc/55/71/59/1133557159.db2.gz KZTARYJVWJBRFK-UHFFFAOYSA-N 1 2 330.146 3.726 20 5 EHBDLO COCC[N@H+](Cc1cccs1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746669464 1133989389 /nfs/dbraw/zinc/98/93/89/1133989389.db2.gz CWGNNYKCJFZCBT-UHFFFAOYSA-N 1 2 340.832 3.958 20 5 EHBDLO COCC[N@@H+](Cc1cccs1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746669464 1133989392 /nfs/dbraw/zinc/98/93/92/1133989392.db2.gz CWGNNYKCJFZCBT-UHFFFAOYSA-N 1 2 340.832 3.958 20 5 EHBDLO O=[N+]([O-])c1ccc2cnn(C[NH+]3CCC(CC(F)(F)F)CC3)c2c1 ZINC000789526275 1134290786 /nfs/dbraw/zinc/29/07/86/1134290786.db2.gz AUTZQHGMCPKFLM-UHFFFAOYSA-N 1 2 342.321 3.566 20 5 EHBDLO O=C(C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)c1ccccc1F ZINC001194477776 1135276348 /nfs/dbraw/zinc/27/63/48/1135276348.db2.gz QMGIVSOFHMCRFP-OAHLLOKOSA-N 1 2 342.370 3.796 20 5 EHBDLO O=C(C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)c1ccccc1F ZINC001194477776 1135276352 /nfs/dbraw/zinc/27/63/52/1135276352.db2.gz QMGIVSOFHMCRFP-OAHLLOKOSA-N 1 2 342.370 3.796 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1Cl ZINC000811518093 1136097943 /nfs/dbraw/zinc/09/79/43/1136097943.db2.gz GLCNEUZUEHBGDX-HOTGVXAUSA-N 1 2 336.819 3.782 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1Cl ZINC000811518093 1136097946 /nfs/dbraw/zinc/09/79/46/1136097946.db2.gz GLCNEUZUEHBGDX-HOTGVXAUSA-N 1 2 336.819 3.782 20 5 EHBDLO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(N2CCCC2)c1 ZINC000339076708 1137383499 /nfs/dbraw/zinc/38/34/99/1137383499.db2.gz BDKCMUKXBCRSGC-AWEZNQCLSA-N 1 2 341.411 3.751 20 5 EHBDLO C[C@@H]([NH2+]Cc1cccc2c1OCCCO2)c1c(F)cccc1[N+](=O)[O-] ZINC000872051109 1137567882 /nfs/dbraw/zinc/56/78/82/1137567882.db2.gz GCEYZWMPFQAQFT-GFCCVEGCSA-N 1 2 346.358 3.746 20 5 EHBDLO C[C@@H]([NH2+]C1(c2ccc3c(c2)OCO3)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872054904 1137568371 /nfs/dbraw/zinc/56/83/71/1137568371.db2.gz DIBDLUUGMALXMM-LLVKDONJSA-N 1 2 344.342 3.803 20 5 EHBDLO O=C(NCCCCn1cc[nH+]c1)c1cc2ccccc2c2cccnc12 ZINC000065515726 1137824312 /nfs/dbraw/zinc/82/43/12/1137824312.db2.gz WELQDESRJJMKTL-UHFFFAOYSA-N 1 2 344.418 3.795 20 5 EHBDLO COc1cccc(C=C2CC[NH+](Cc3cccnc3[N+](=O)[O-])CC2)c1 ZINC000886041143 1138034498 /nfs/dbraw/zinc/03/44/98/1138034498.db2.gz KQZYIHUTSFIRIC-UHFFFAOYSA-N 1 2 339.395 3.678 20 5 EHBDLO CC[C@@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000271448760 1141369435 /nfs/dbraw/zinc/36/94/35/1141369435.db2.gz HWMVYQOFOZBERQ-CVEARBPZSA-N 1 2 336.338 3.647 20 5 EHBDLO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)c2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000271543420 1141393337 /nfs/dbraw/zinc/39/33/37/1141393337.db2.gz YWNWUEQZNBYGFF-ABAIWWIYSA-N 1 2 336.338 3.566 20 5 EHBDLO CC[C@@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1nc(C)cs1 ZINC000430195004 1014800382 /nfs/dbraw/zinc/80/03/82/1014800382.db2.gz MCJYUAYUFAGOBR-MRXNPFEDSA-N 1 2 335.429 3.783 20 5 EHBDLO Cc1ccc([C@@H](C)[NH2+]Cc2csc(N(C)C3CC3)n2)cc1[N+](=O)[O-] ZINC000537178674 1032549908 /nfs/dbraw/zinc/54/99/08/1032549908.db2.gz WEEPLUKNIAUXJB-GFCCVEGCSA-N 1 2 346.456 3.809 20 5 EHBDLO COC[C@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccco1 ZINC000177573014 1017693098 /nfs/dbraw/zinc/69/30/98/1017693098.db2.gz OKTQDCFUWXNDKT-INIZCTEOSA-N 1 2 342.351 3.925 20 5 EHBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000015548915 1018757017 /nfs/dbraw/zinc/75/70/17/1018757017.db2.gz ZFEATQULNHRVDI-LBPRGKRZSA-N 1 2 347.802 3.880 20 5 EHBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000015548915 1018757033 /nfs/dbraw/zinc/75/70/33/1018757033.db2.gz ZFEATQULNHRVDI-LBPRGKRZSA-N 1 2 347.802 3.880 20 5 EHBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000182340658 1019327818 /nfs/dbraw/zinc/32/78/18/1019327818.db2.gz UTEHPPKEFIRSNR-CYBMUJFWSA-N 1 2 338.367 3.804 20 5 EHBDLO Cc1c([C@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)cccc1[N+](=O)[O-] ZINC000167974992 1019550751 /nfs/dbraw/zinc/55/07/51/1019550751.db2.gz HCLVMBIBSNUXER-DZGCQCFKSA-N 1 2 343.431 3.804 20 5 EHBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000505881642 1021241433 /nfs/dbraw/zinc/24/14/33/1021241433.db2.gz PRWLGZJAYLQUDF-INIZCTEOSA-N 1 2 344.386 3.915 20 5 EHBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000505881642 1021241444 /nfs/dbraw/zinc/24/14/44/1021241444.db2.gz PRWLGZJAYLQUDF-INIZCTEOSA-N 1 2 344.386 3.915 20 5 EHBDLO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]1c1ccccc1 ZINC000248358771 1021710726 /nfs/dbraw/zinc/71/07/26/1021710726.db2.gz REGUMNOIHAVWEK-FZKQIMNGSA-N 1 2 340.379 3.654 20 5 EHBDLO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]1c1ccccc1 ZINC000248358771 1021710744 /nfs/dbraw/zinc/71/07/44/1021710744.db2.gz REGUMNOIHAVWEK-FZKQIMNGSA-N 1 2 340.379 3.654 20 5 EHBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cnn(C2CCC2)c1)C1CC1 ZINC000891624385 1022142397 /nfs/dbraw/zinc/14/23/97/1022142397.db2.gz YOBGMFLUTAUNNI-UHFFFAOYSA-N 1 2 326.400 3.681 20 5 EHBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cnn(C2CCC2)c1)C1CC1 ZINC000891624385 1022142403 /nfs/dbraw/zinc/14/24/03/1022142403.db2.gz YOBGMFLUTAUNNI-UHFFFAOYSA-N 1 2 326.400 3.681 20 5 EHBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccsc2Br)c(F)c1 ZINC000337872739 1022889730 /nfs/dbraw/zinc/88/97/30/1022889730.db2.gz SFIRYARRXCCUTI-UHFFFAOYSA-N 1 2 345.193 3.848 20 5 EHBDLO CC(C)(C)c1ccc(C(=O)Nc2ccn3cc[nH+]c3c2)cc1[N+](=O)[O-] ZINC000518824261 1023090485 /nfs/dbraw/zinc/09/04/85/1023090485.db2.gz PNUIIWVQFVFAOW-UHFFFAOYSA-N 1 2 338.367 3.792 20 5 EHBDLO COc1ccc(C[N@@H+]2CCSC[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000506434422 1023131646 /nfs/dbraw/zinc/13/16/46/1023131646.db2.gz SNAPXAQFHRFXIP-KRWDZBQOSA-N 1 2 344.436 3.894 20 5 EHBDLO COc1ccc(C[N@H+]2CCSC[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000506434422 1023131655 /nfs/dbraw/zinc/13/16/55/1023131655.db2.gz SNAPXAQFHRFXIP-KRWDZBQOSA-N 1 2 344.436 3.894 20 5 EHBDLO O=[N+]([O-])c1cccc(F)c1NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000341840603 1023433476 /nfs/dbraw/zinc/43/34/76/1023433476.db2.gz HOOQWOYOOYSCFD-UHFFFAOYSA-N 1 2 330.294 3.671 20 5 EHBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@H](C(F)(F)F)C3)co2)cc1 ZINC000761043844 1033152252 /nfs/dbraw/zinc/15/22/52/1033152252.db2.gz XJSHFPHPYVFBNT-NSHDSACASA-N 1 2 341.289 3.634 20 5 EHBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@H](C(F)(F)F)C3)co2)cc1 ZINC000761043844 1033152256 /nfs/dbraw/zinc/15/22/56/1033152256.db2.gz XJSHFPHPYVFBNT-NSHDSACASA-N 1 2 341.289 3.634 20 5 EHBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ccc([N+](=O)[O-])s1 ZINC000338120006 1024965593 /nfs/dbraw/zinc/96/55/93/1024965593.db2.gz MMALVTQVGKVFSI-UHFFFAOYSA-N 1 2 348.771 3.748 20 5 EHBDLO CC(=O)c1cc(NCc2cccc(-n3cc[nH+]c3)c2)ccc1[N+](=O)[O-] ZINC000342414531 1025294975 /nfs/dbraw/zinc/29/49/75/1025294975.db2.gz LVKWXINLFZFYGK-UHFFFAOYSA-N 1 2 336.351 3.595 20 5 EHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611580158 1025470224 /nfs/dbraw/zinc/47/02/24/1025470224.db2.gz RXPXZWULKSWZFM-CQSZACIVSA-N 1 2 344.358 3.586 20 5 EHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611580158 1025470232 /nfs/dbraw/zinc/47/02/32/1025470232.db2.gz RXPXZWULKSWZFM-CQSZACIVSA-N 1 2 344.358 3.586 20 5 EHBDLO CCn1c[nH+]c2c1CCN(c1c(Cl)cc([N+](=O)[O-])cc1Cl)C2 ZINC000896650444 1025802767 /nfs/dbraw/zinc/80/27/67/1025802767.db2.gz HTLVEJMEBZMUHD-UHFFFAOYSA-N 1 2 341.198 3.681 20 5 EHBDLO O=[N+]([O-])c1cccc(F)c1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000342834924 1027540855 /nfs/dbraw/zinc/54/08/55/1027540855.db2.gz LWSHMSCTLRREEK-UHFFFAOYSA-N 1 2 332.379 3.627 20 5 EHBDLO Cc1ccc([C@@H](C)[NH2+][C@@H]2COc3cc(F)cc(F)c32)cc1[N+](=O)[O-] ZINC000612422596 1028087393 /nfs/dbraw/zinc/08/73/93/1028087393.db2.gz CYCYHCMXTRGMKF-QMTHXVAHSA-N 1 2 334.322 3.966 20 5 EHBDLO Cc1cc(C)c(NC(=O)NCc2cccc([N+](=O)[O-])c2C)c(C)[nH+]1 ZINC000455493306 1028225601 /nfs/dbraw/zinc/22/56/01/1028225601.db2.gz CIPOSRNSGKEUBT-UHFFFAOYSA-N 1 2 328.372 3.545 20 5 EHBDLO COc1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c(OC)c1 ZINC000027590420 1029001731 /nfs/dbraw/zinc/00/17/31/1029001731.db2.gz PDPPTAUVMQECHO-UHFFFAOYSA-N 1 2 342.395 3.777 20 5 EHBDLO COc1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c(OC)c1 ZINC000027590420 1029001737 /nfs/dbraw/zinc/00/17/37/1029001737.db2.gz PDPPTAUVMQECHO-UHFFFAOYSA-N 1 2 342.395 3.777 20 5 EHBDLO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2nccn2CC)cc1[N+](=O)[O-] ZINC000453337988 1030122433 /nfs/dbraw/zinc/12/24/33/1030122433.db2.gz FRFXQOMRSOBEDR-OLZOCXBDSA-N 1 2 332.404 3.622 20 5 EHBDLO CC(C)c1nnc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000447575279 1030338539 /nfs/dbraw/zinc/33/85/39/1030338539.db2.gz RMQAVFDUOMYBNX-CQSZACIVSA-N 1 2 332.429 3.737 20 5 EHBDLO Cc1ccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)o1 ZINC000160877438 1031125483 /nfs/dbraw/zinc/12/54/83/1031125483.db2.gz IJBGEMGSOCOQHX-UHFFFAOYSA-N 1 2 326.299 3.730 20 5 EHBDLO Cc1ccc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)o1 ZINC000160877438 1031125494 /nfs/dbraw/zinc/12/54/94/1031125494.db2.gz IJBGEMGSOCOQHX-UHFFFAOYSA-N 1 2 326.299 3.730 20 5 EHBDLO CC(C)N(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CCCC1 ZINC000448904473 1031866466 /nfs/dbraw/zinc/86/64/66/1031866466.db2.gz QLWQILKZXUJBJK-UHFFFAOYSA-N 1 2 342.399 3.574 20 5 EHBDLO CCC(CC)N(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000603755743 1033914272 /nfs/dbraw/zinc/91/42/72/1033914272.db2.gz UJASFJWSLLZESA-UHFFFAOYSA-N 1 2 342.399 3.574 20 5 EHBDLO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1cscn1 ZINC000595668967 1033942549 /nfs/dbraw/zinc/94/25/49/1033942549.db2.gz VSNDJDYNBHRYIA-QMMMGPOBSA-N 1 2 331.319 3.921 20 5 EHBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H]2COc3cc(F)cc(F)c32)cc1Cl ZINC000761535662 1037117920 /nfs/dbraw/zinc/11/79/20/1037117920.db2.gz XPXUYTOQEMLMEJ-LBPRGKRZSA-N 1 2 340.713 3.750 20 5 EHBDLO O=[N+]([O-])c1ccc(CCn2nc(C(F)(F)F)c3c[nH+]ccc32)cc1 ZINC000341339113 1037968411 /nfs/dbraw/zinc/96/84/11/1037968411.db2.gz MGHDAMYDKPNLQH-UHFFFAOYSA-N 1 2 336.273 3.601 20 5 EHBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccc(Cl)s1 ZINC000015294292 1039089051 /nfs/dbraw/zinc/08/90/51/1039089051.db2.gz FVBWXVFIZLHYEN-UHFFFAOYSA-N 1 2 326.805 3.950 20 5 EHBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1ccc(Cl)s1 ZINC000015294292 1039089071 /nfs/dbraw/zinc/08/90/71/1039089071.db2.gz FVBWXVFIZLHYEN-UHFFFAOYSA-N 1 2 326.805 3.950 20 5 EHBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCSc1ccccc1)CCO2 ZINC000573529416 1040155779 /nfs/dbraw/zinc/15/57/79/1040155779.db2.gz XZOIOQOFKMKMJB-UHFFFAOYSA-N 1 2 330.409 3.582 20 5 EHBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCSc1ccccc1)CCO2 ZINC000573529416 1040155785 /nfs/dbraw/zinc/15/57/85/1040155785.db2.gz XZOIOQOFKMKMJB-UHFFFAOYSA-N 1 2 330.409 3.582 20 5 EHBDLO Cc1cc(N[C@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000555122700 1040174033 /nfs/dbraw/zinc/17/40/33/1040174033.db2.gz ZHKPBZIVZUQIMY-SNVBAGLBSA-N 1 2 328.294 3.619 20 5 EHBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000024864290 1040828706 /nfs/dbraw/zinc/82/87/06/1040828706.db2.gz IRHXPXBSRRLUMO-LLVKDONJSA-N 1 2 349.337 3.505 20 5 EHBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000024864290 1040828724 /nfs/dbraw/zinc/82/87/24/1040828724.db2.gz IRHXPXBSRRLUMO-LLVKDONJSA-N 1 2 349.337 3.505 20 5 EHBDLO CCOC(=O)C(C)(C)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000552055370 1127551837 /nfs/dbraw/zinc/55/18/37/1127551837.db2.gz KIOAKRZZYRNVED-UHFFFAOYSA-N 1 2 346.383 3.628 20 5 EHBDLO CCOC(=O)C(C)(C)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000552055370 1127551838 /nfs/dbraw/zinc/55/18/38/1127551838.db2.gz KIOAKRZZYRNVED-UHFFFAOYSA-N 1 2 346.383 3.628 20 5 EHBDLO O=[N+]([O-])c1ccc2oc(=S)n(C[NH+]3CCC(C(F)F)CC3)c2c1 ZINC000765149579 1127579583 /nfs/dbraw/zinc/57/95/83/1127579583.db2.gz KQWQCOIHLVZBHQ-UHFFFAOYSA-N 1 2 343.355 3.807 20 5 EHBDLO Cc1cc(NC[C@@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338648665 1127974776 /nfs/dbraw/zinc/97/47/76/1127974776.db2.gz JJWJDJPSPDMDSO-SNVBAGLBSA-N 1 2 342.321 3.867 20 5 EHBDLO Cc1cc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000301636238 1128780387 /nfs/dbraw/zinc/78/03/87/1128780387.db2.gz LMTWMQMDDGOZCB-CYBMUJFWSA-N 1 2 333.775 3.609 20 5 EHBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2nccc3c2CCCC3)c1 ZINC000921835023 1128797840 /nfs/dbraw/zinc/79/78/40/1128797840.db2.gz LGGJPLDJWUNWSZ-UHFFFAOYSA-N 1 2 331.803 3.812 20 5 EHBDLO COc1ccc(C[N@@H+]2CCc3cc(F)ccc3[C@@H]2C)cc1[N+](=O)[O-] ZINC000610003926 1123711123 /nfs/dbraw/zinc/71/11/23/1123711123.db2.gz QKYYSBQTTSWPFW-LBPRGKRZSA-N 1 2 330.359 3.862 20 5 EHBDLO COc1ccc(C[N@H+]2CCc3cc(F)ccc3[C@@H]2C)cc1[N+](=O)[O-] ZINC000610003926 1123711129 /nfs/dbraw/zinc/71/11/29/1123711129.db2.gz QKYYSBQTTSWPFW-LBPRGKRZSA-N 1 2 330.359 3.862 20 5 EHBDLO C[N@H+](Cc1ccc2c[nH]nc2c1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000179788029 1123859331 /nfs/dbraw/zinc/85/93/31/1123859331.db2.gz YZRAPKJFJJDJDG-UHFFFAOYSA-N 1 2 330.775 3.757 20 5 EHBDLO C[N@@H+](Cc1ccc2c[nH]nc2c1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000179788029 1123859334 /nfs/dbraw/zinc/85/93/34/1123859334.db2.gz YZRAPKJFJJDJDG-UHFFFAOYSA-N 1 2 330.775 3.757 20 5 EHBDLO Cc1ccc([N+](=O)[O-])c(N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000543049476 1129158912 /nfs/dbraw/zinc/15/89/12/1129158912.db2.gz LSKUOFUFOMJEAP-UHFFFAOYSA-N 1 2 328.416 3.797 20 5 EHBDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000617462235 1124561261 /nfs/dbraw/zinc/56/12/61/1124561261.db2.gz IGXOMBDWHCKPFD-LBPRGKRZSA-N 1 2 335.404 3.679 20 5 EHBDLO C[C@@H](c1cccnc1)[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093235363 1129580738 /nfs/dbraw/zinc/58/07/38/1129580738.db2.gz VHAREAZQKXSUNH-ZDUSSCGKSA-N 1 2 338.367 3.838 20 5 EHBDLO C[C@@H](c1cccnc1)[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093235363 1129580740 /nfs/dbraw/zinc/58/07/40/1129580740.db2.gz VHAREAZQKXSUNH-ZDUSSCGKSA-N 1 2 338.367 3.838 20 5 EHBDLO C[C@@H](OC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000728166395 1130642138 /nfs/dbraw/zinc/64/21/38/1130642138.db2.gz FBXSXFQRQNGHFA-CYBMUJFWSA-N 1 2 337.335 3.699 20 5 EHBDLO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@H](CF)C(F)(F)C1)CC2 ZINC001172909613 1131916629 /nfs/dbraw/zinc/91/66/29/1131916629.db2.gz UBINKBFAXYYCST-CABCVRRESA-N 1 2 342.361 3.769 20 5 EHBDLO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1CC[C@H](CF)C(F)(F)C1)CC2 ZINC001172909613 1131916633 /nfs/dbraw/zinc/91/66/33/1131916633.db2.gz UBINKBFAXYYCST-CABCVRRESA-N 1 2 342.361 3.769 20 5 EHBDLO Cc1ccc(N2CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)c(C)c1 ZINC001196337294 1135547927 /nfs/dbraw/zinc/54/79/27/1135547927.db2.gz BKFJDXRIMVQCML-UHFFFAOYSA-N 1 2 343.402 3.673 20 5 EHBDLO Cc1cccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])n1 ZINC000811475298 1136095880 /nfs/dbraw/zinc/09/58/80/1136095880.db2.gz ZVCYKSGJXLZSHQ-UHFFFAOYSA-N 1 2 326.183 3.895 20 5 EHBDLO CCCCNc1[nH+]c2ccccc2n1Cc1onc(C)c1[N+](=O)[O-] ZINC000853637676 1136551666 /nfs/dbraw/zinc/55/16/66/1136551666.db2.gz FXLROWALHIHCHZ-UHFFFAOYSA-N 1 2 329.360 3.501 20 5 EHBDLO O=[N+]([O-])c1ccc(N[C@H]2CCN(c3cccc[nH+]3)C2)c(C(F)F)c1 ZINC000865638149 1137300950 /nfs/dbraw/zinc/30/09/50/1137300950.db2.gz WZUYSUDPCQQLSM-NSHDSACASA-N 1 2 334.326 3.618 20 5 EHBDLO O=[N+]([O-])c1cc(Cl)cnc1NCc1ccccc1Cn1cc[nH+]c1 ZINC000348173029 1137450292 /nfs/dbraw/zinc/45/02/92/1137450292.db2.gz LXFCIGJVJOBRRG-UHFFFAOYSA-N 1 2 343.774 3.500 20 5 EHBDLO COC[C@@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000872084809 1137570495 /nfs/dbraw/zinc/57/04/95/1137570495.db2.gz IMMBTHWTZKMVPH-BLLLJJGKSA-N 1 2 348.374 3.781 20 5 EHBDLO C[N@H+](Cc1cccc(OC(F)(F)F)c1)Cc1cccnc1[N+](=O)[O-] ZINC000886039308 1138034042 /nfs/dbraw/zinc/03/40/42/1138034042.db2.gz JUYAMOUSDOFGKW-UHFFFAOYSA-N 1 2 341.289 3.520 20 5 EHBDLO C[N@@H+](Cc1cccc(OC(F)(F)F)c1)Cc1cccnc1[N+](=O)[O-] ZINC000886039308 1138034043 /nfs/dbraw/zinc/03/40/43/1138034043.db2.gz JUYAMOUSDOFGKW-UHFFFAOYSA-N 1 2 341.289 3.520 20 5 EHBDLO COc1ccc2c(c1)C[C@@H](C)[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@H]2C ZINC000886122478 1138049092 /nfs/dbraw/zinc/04/90/92/1138049092.db2.gz BQIFTSHVDQJOAV-OLZOCXBDSA-N 1 2 327.384 3.506 20 5 EHBDLO COc1ccc2c(c1)C[C@@H](C)[N@H+](Cc1cccnc1[N+](=O)[O-])[C@H]2C ZINC000886122478 1138049094 /nfs/dbraw/zinc/04/90/94/1138049094.db2.gz BQIFTSHVDQJOAV-OLZOCXBDSA-N 1 2 327.384 3.506 20 5 EHBDLO CC1(C)C[C@H]([N@H+](Cc2ccccc2)Cc2cccnc2[N+](=O)[O-])CO1 ZINC000886273552 1138063394 /nfs/dbraw/zinc/06/33/94/1138063394.db2.gz BSDMTKAGIOWVMB-KRWDZBQOSA-N 1 2 341.411 3.560 20 5 EHBDLO CC1(C)C[C@H]([N@@H+](Cc2ccccc2)Cc2cccnc2[N+](=O)[O-])CO1 ZINC000886273552 1138063395 /nfs/dbraw/zinc/06/33/95/1138063395.db2.gz BSDMTKAGIOWVMB-KRWDZBQOSA-N 1 2 341.411 3.560 20 5 EHBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H](C(F)(F)F)C3)nc2c1 ZINC000176985555 1139591710 /nfs/dbraw/zinc/59/17/10/1139591710.db2.gz QTUBVZFWUAAVOS-SECBINFHSA-N 1 2 329.278 3.510 20 5 EHBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H](C(F)(F)F)C3)nc2c1 ZINC000176985555 1139591716 /nfs/dbraw/zinc/59/17/16/1139591716.db2.gz QTUBVZFWUAAVOS-SECBINFHSA-N 1 2 329.278 3.510 20 5 EHBDLO COc1cc(C[NH2+]C(C)(C)c2ncc(C)s2)c([N+](=O)[O-])cc1F ZINC000184407264 1140101195 /nfs/dbraw/zinc/10/11/95/1140101195.db2.gz VCKIYDVEIXIYCO-UHFFFAOYSA-N 1 2 339.392 3.532 20 5 EHBDLO CCOc1ccc2c(c1)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)C2 ZINC000430207391 1014936070 /nfs/dbraw/zinc/93/60/70/1014936070.db2.gz ZHYDTKUBCIPFPU-UHFFFAOYSA-N 1 2 342.395 3.560 20 5 EHBDLO CCOc1ccc2c(c1)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)C2 ZINC000430207391 1014936078 /nfs/dbraw/zinc/93/60/78/1014936078.db2.gz ZHYDTKUBCIPFPU-UHFFFAOYSA-N 1 2 342.395 3.560 20 5 EHBDLO Cc1ccc([C@H](C)NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000602115181 1032659143 /nfs/dbraw/zinc/65/91/43/1032659143.db2.gz GOXCFISICBENQK-WMLDXEAASA-N 1 2 344.415 3.564 20 5 EHBDLO O=[N+]([O-])c1ccc(Nc2ccc(N3CCCC3)[nH+]c2)c2ccncc21 ZINC000023618704 1017198097 /nfs/dbraw/zinc/19/80/97/1017198097.db2.gz LPRYKWPSQMUOIE-UHFFFAOYSA-N 1 2 335.367 3.882 20 5 EHBDLO COc1ccc([N+](=O)[O-])cc1Nc1ccc[nH+]c1N1CCCCC1 ZINC001210443267 1018015992 /nfs/dbraw/zinc/01/59/92/1018015992.db2.gz AYNVQHYAKSTOHO-UHFFFAOYSA-N 1 2 328.372 3.732 20 5 EHBDLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000340581870 1018586325 /nfs/dbraw/zinc/58/63/25/1018586325.db2.gz CKBLAAFQSKTHFG-UHFFFAOYSA-N 1 2 347.334 3.514 20 5 EHBDLO Cc1ccc(C[N@H+](CCO)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000543059172 1019385825 /nfs/dbraw/zinc/38/58/25/1019385825.db2.gz VFHSGACYUCRIMA-UHFFFAOYSA-N 1 2 334.803 3.551 20 5 EHBDLO Cc1ccc(C[N@@H+](CCO)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000543059172 1019385840 /nfs/dbraw/zinc/38/58/40/1019385840.db2.gz VFHSGACYUCRIMA-UHFFFAOYSA-N 1 2 334.803 3.551 20 5 EHBDLO Cc1c([C@@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)cccc1[N+](=O)[O-] ZINC000167974892 1019551404 /nfs/dbraw/zinc/55/14/04/1019551404.db2.gz HCLVMBIBSNUXER-UKRRQHHQSA-N 1 2 343.431 3.804 20 5 EHBDLO CCn1ccnc1[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000280752340 1020625429 /nfs/dbraw/zinc/62/54/29/1020625429.db2.gz BSRMPIVTNSMCBM-KRWDZBQOSA-N 1 2 328.416 3.847 20 5 EHBDLO CCn1ccnc1[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000280752340 1020625435 /nfs/dbraw/zinc/62/54/35/1020625435.db2.gz BSRMPIVTNSMCBM-KRWDZBQOSA-N 1 2 328.416 3.847 20 5 EHBDLO Cc1c(C[N@@H+]2[C@H](C)COC[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000501081101 1020698043 /nfs/dbraw/zinc/69/80/43/1020698043.db2.gz OMRNBJKWHTZVOF-KUHUBIRLSA-N 1 2 326.396 3.865 20 5 EHBDLO Cc1c(C[N@H+]2[C@H](C)COC[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000501081101 1020698047 /nfs/dbraw/zinc/69/80/47/1020698047.db2.gz OMRNBJKWHTZVOF-KUHUBIRLSA-N 1 2 326.396 3.865 20 5 EHBDLO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000441011967 1021927843 /nfs/dbraw/zinc/92/78/43/1021927843.db2.gz DXXYKUDKXAKQAR-KZULUSFZSA-N 1 2 330.359 3.558 20 5 EHBDLO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000441011967 1021927851 /nfs/dbraw/zinc/92/78/51/1021927851.db2.gz DXXYKUDKXAKQAR-KZULUSFZSA-N 1 2 330.359 3.558 20 5 EHBDLO COc1cc(C[N@@H+]2CCCC[C@H]2c2cccn2C)c([N+](=O)[O-])cc1F ZINC000184228423 1022587216 /nfs/dbraw/zinc/58/72/16/1022587216.db2.gz SHWVMSYQWCGIDQ-INIZCTEOSA-N 1 2 347.390 3.808 20 5 EHBDLO COc1cc(C[N@H+]2CCCC[C@H]2c2cccn2C)c([N+](=O)[O-])cc1F ZINC000184228423 1022587222 /nfs/dbraw/zinc/58/72/22/1022587222.db2.gz SHWVMSYQWCGIDQ-INIZCTEOSA-N 1 2 347.390 3.808 20 5 EHBDLO COc1c(O)ccc(C[N@H+]([C@H](C)c2ccco2)C2CC2)c1[N+](=O)[O-] ZINC000891802181 1022825805 /nfs/dbraw/zinc/82/58/05/1022825805.db2.gz PMARLZNAPWWAHZ-LLVKDONJSA-N 1 2 332.356 3.628 20 5 EHBDLO COc1c(O)ccc(C[N@@H+]([C@H](C)c2ccco2)C2CC2)c1[N+](=O)[O-] ZINC000891802181 1022825826 /nfs/dbraw/zinc/82/58/26/1022825826.db2.gz PMARLZNAPWWAHZ-LLVKDONJSA-N 1 2 332.356 3.628 20 5 EHBDLO Cc1ccc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000518356957 1023257185 /nfs/dbraw/zinc/25/71/85/1023257185.db2.gz FZNUUIWXQLPVCK-MRXNPFEDSA-N 1 2 347.802 3.798 20 5 EHBDLO COc1c(O)ccc(C[NH2+]C2(c3ccccc3Cl)CC2)c1[N+](=O)[O-] ZINC000895092335 1024264071 /nfs/dbraw/zinc/26/40/71/1024264071.db2.gz PRLOTEVRXOYLKC-UHFFFAOYSA-N 1 2 348.786 3.741 20 5 EHBDLO C[N@H+](Cc1cccs1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000505601888 1024619913 /nfs/dbraw/zinc/61/99/13/1024619913.db2.gz JSLQBZOOUDIAIY-UHFFFAOYSA-N 1 2 328.340 3.890 20 5 EHBDLO C[N@@H+](Cc1cccs1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000505601888 1024619918 /nfs/dbraw/zinc/61/99/18/1024619918.db2.gz JSLQBZOOUDIAIY-UHFFFAOYSA-N 1 2 328.340 3.890 20 5 EHBDLO CC[C@H]([NH2+][C@@H](C)c1ncc(C(=O)OC)s1)c1cccc([N+](=O)[O-])c1 ZINC000414118174 1024671233 /nfs/dbraw/zinc/67/12/33/1024671233.db2.gz UOIGDTBCHLDRHK-GWCFXTLKSA-N 1 2 349.412 3.640 20 5 EHBDLO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH+]2CCOCC2)cc1 ZINC000435243255 1024724788 /nfs/dbraw/zinc/72/47/88/1024724788.db2.gz SHRFLIJWTREUCB-UHFFFAOYSA-N 1 2 348.786 3.873 20 5 EHBDLO CCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ccccc1 ZINC000072058780 1025276888 /nfs/dbraw/zinc/27/68/88/1025276888.db2.gz OCYUWENJHUYLRN-OAHLLOKOSA-N 1 2 341.411 3.834 20 5 EHBDLO CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ccccc1 ZINC000072058780 1025276897 /nfs/dbraw/zinc/27/68/97/1025276897.db2.gz OCYUWENJHUYLRN-OAHLLOKOSA-N 1 2 341.411 3.834 20 5 EHBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC(Nc2ccccn2)CC1 ZINC000551526361 1025354471 /nfs/dbraw/zinc/35/44/71/1025354471.db2.gz KQCXAIRQSBUVIO-UHFFFAOYSA-N 1 2 346.818 3.720 20 5 EHBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@]3(CCSC3)C2)c(F)c1 ZINC000451959294 1026395564 /nfs/dbraw/zinc/39/55/64/1026395564.db2.gz ASKWNGZOUHHWCJ-HNNXBMFYSA-N 1 2 328.384 3.592 20 5 EHBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@]3(CCSC3)C2)c(F)c1 ZINC000451959294 1026395572 /nfs/dbraw/zinc/39/55/72/1026395572.db2.gz ASKWNGZOUHHWCJ-HNNXBMFYSA-N 1 2 328.384 3.592 20 5 EHBDLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000023667043 1026396145 /nfs/dbraw/zinc/39/61/45/1026396145.db2.gz WZLUVDCRXBREHF-NSHDSACASA-N 1 2 349.337 3.505 20 5 EHBDLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000023667043 1026396160 /nfs/dbraw/zinc/39/61/60/1026396160.db2.gz WZLUVDCRXBREHF-NSHDSACASA-N 1 2 349.337 3.505 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1nc2cc(C)ccc2[nH]1 ZINC000595013992 1033606628 /nfs/dbraw/zinc/60/66/28/1033606628.db2.gz TYVRWQLYTKDYTO-LBPRGKRZSA-N 1 2 340.383 3.639 20 5 EHBDLO COc1cc([C@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])ccc1OC(C)C ZINC000595414545 1033791231 /nfs/dbraw/zinc/79/12/31/1033791231.db2.gz DWSGUKSDKRWVFJ-NSHDSACASA-N 1 2 349.387 3.538 20 5 EHBDLO CC(C)Oc1ccnc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000593021199 1033834583 /nfs/dbraw/zinc/83/45/83/1033834583.db2.gz USDPVZDHRFWVTR-UHFFFAOYSA-N 1 2 341.411 3.942 20 5 EHBDLO CC(C)Oc1ccnc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000593021199 1033834594 /nfs/dbraw/zinc/83/45/94/1033834594.db2.gz USDPVZDHRFWVTR-UHFFFAOYSA-N 1 2 341.411 3.942 20 5 EHBDLO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC(Nc2ccccn2)CC1 ZINC000761121704 1033890570 /nfs/dbraw/zinc/89/05/70/1033890570.db2.gz YETCIMAFPCWQIE-UHFFFAOYSA-N 1 2 346.818 3.720 20 5 EHBDLO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000599506279 1033966782 /nfs/dbraw/zinc/96/67/82/1033966782.db2.gz FLYMHEDEZDPWDB-UHFFFAOYSA-N 1 2 348.349 3.916 20 5 EHBDLO O=[N+]([O-])c1cc(F)c(C[NH+]2CCC([C@@H]3CCCCO3)CC2)c(F)c1 ZINC000595784605 1033998930 /nfs/dbraw/zinc/99/89/30/1033998930.db2.gz SSSWMLUAPORUDX-KRWDZBQOSA-N 1 2 340.370 3.654 20 5 EHBDLO O=[N+]([O-])c1cc(F)ccc1NCc1ccccc1Cn1cc[nH+]c1 ZINC000060446097 1034535505 /nfs/dbraw/zinc/53/55/05/1034535505.db2.gz YPFOLVAZAYFPLL-UHFFFAOYSA-N 1 2 326.331 3.591 20 5 EHBDLO CCO[C@H](C)c1nc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000180430305 1036816599 /nfs/dbraw/zinc/81/65/99/1036816599.db2.gz KAVCPJRCYGZPPX-NWDGAFQWSA-N 1 2 335.429 4.000 20 5 EHBDLO C[N@H+](Cc1ccc(OC(F)F)cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000491920429 1037786221 /nfs/dbraw/zinc/78/62/21/1037786221.db2.gz KHTBSEIMPXUKCU-UHFFFAOYSA-N 1 2 340.301 3.967 20 5 EHBDLO C[N@@H+](Cc1ccc(OC(F)F)cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000491920429 1037786240 /nfs/dbraw/zinc/78/62/40/1037786240.db2.gz KHTBSEIMPXUKCU-UHFFFAOYSA-N 1 2 340.301 3.967 20 5 EHBDLO COc1cc(C[NH2+]C2(c3ccccc3OC)CC2)c([N+](=O)[O-])cc1F ZINC000592145234 1037866141 /nfs/dbraw/zinc/86/61/41/1037866141.db2.gz SOENKFINYWDBOB-UHFFFAOYSA-N 1 2 346.358 3.530 20 5 EHBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](C)[C@H]2c2ccccc2)c1 ZINC000589501432 1039237751 /nfs/dbraw/zinc/23/77/51/1039237751.db2.gz PECSTKLWVWHVLL-ACJLOTCBSA-N 1 2 340.379 3.574 20 5 EHBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H](C)[C@H]2c2ccccc2)c1 ZINC000589501432 1039237763 /nfs/dbraw/zinc/23/77/63/1039237763.db2.gz PECSTKLWVWHVLL-ACJLOTCBSA-N 1 2 340.379 3.574 20 5 EHBDLO Cc1cc(C)cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000015076532 1041093047 /nfs/dbraw/zinc/09/30/47/1041093047.db2.gz FSDFGOUPIORFRN-UHFFFAOYSA-N 1 2 336.351 3.650 20 5 EHBDLO Cc1cccc(N2CCC(CCCn3cc[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000549555174 1042226062 /nfs/dbraw/zinc/22/60/62/1042226062.db2.gz OGRBJQTYBWTEEG-UHFFFAOYSA-N 1 2 328.416 3.797 20 5 EHBDLO C[C@@H]1CC[C@H](OC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC001126303424 1043003534 /nfs/dbraw/zinc/00/35/34/1043003534.db2.gz IXRMCQRQEBVXTL-XNJGSVPQSA-N 1 2 343.383 3.762 20 5 EHBDLO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1C ZINC001125084396 1126900333 /nfs/dbraw/zinc/90/03/33/1126900333.db2.gz VTWWJSSWAGUJTE-UHFFFAOYSA-N 1 2 336.351 3.650 20 5 EHBDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000301467318 1128457286 /nfs/dbraw/zinc/45/72/86/1128457286.db2.gz QOOQVZNPSCYRAV-CYBMUJFWSA-N 1 2 346.818 3.526 20 5 EHBDLO O=[N+]([O-])c1ccc(Nc2ccc(N3CCCC3)[nH+]c2)c2ncccc12 ZINC000301082486 1121487770 /nfs/dbraw/zinc/48/77/70/1121487770.db2.gz ONPICLMRANRWEW-UHFFFAOYSA-N 1 2 335.367 3.882 20 5 EHBDLO Cc1ccc(C[NH+]2CCN(c3cccc(F)c3F)CC2)cc1[N+](=O)[O-] ZINC000556866292 1123153941 /nfs/dbraw/zinc/15/39/41/1123153941.db2.gz DANSYCMAKMHUCU-UHFFFAOYSA-N 1 2 347.365 3.504 20 5 EHBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nc(-c3ccccc3)no2)cc1[N+](=O)[O-] ZINC000181826169 1125053898 /nfs/dbraw/zinc/05/38/98/1125053898.db2.gz KUUVTOSADGXBJH-CYBMUJFWSA-N 1 2 338.367 3.804 20 5 EHBDLO COc1ccc2c(c1)OCC[N@H+]([C@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000619810631 1125414406 /nfs/dbraw/zinc/41/44/06/1125414406.db2.gz HUZRINBXOUEULP-CYBMUJFWSA-N 1 2 328.368 3.559 20 5 EHBDLO COc1ccc2c(c1)OCC[N@@H+]([C@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000619810631 1125414407 /nfs/dbraw/zinc/41/44/07/1125414407.db2.gz HUZRINBXOUEULP-CYBMUJFWSA-N 1 2 328.368 3.559 20 5 EHBDLO COc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000066851924 1129216330 /nfs/dbraw/zinc/21/63/30/1129216330.db2.gz XMLWJGHDOBPIIW-LIRRHRJNSA-N 1 2 342.395 3.565 20 5 EHBDLO COc1ccc(C[N@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000066851924 1129216332 /nfs/dbraw/zinc/21/63/32/1129216332.db2.gz XMLWJGHDOBPIIW-LIRRHRJNSA-N 1 2 342.395 3.565 20 5 EHBDLO COc1ccc(C[N@@H+]2C[C@H](c3ccccc3)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000066851925 1129216536 /nfs/dbraw/zinc/21/65/36/1129216536.db2.gz XMLWJGHDOBPIIW-AUUYWEPGSA-N 1 2 342.395 3.565 20 5 EHBDLO COc1ccc(C[N@H+]2C[C@H](c3ccccc3)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000066851925 1129216539 /nfs/dbraw/zinc/21/65/39/1129216539.db2.gz XMLWJGHDOBPIIW-AUUYWEPGSA-N 1 2 342.395 3.565 20 5 EHBDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000301990678 1129506725 /nfs/dbraw/zinc/50/67/25/1129506725.db2.gz FSUPVMWTSDHOPC-GFCCVEGCSA-N 1 2 335.404 3.679 20 5 EHBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)c(F)c1 ZINC000508990535 1129620998 /nfs/dbraw/zinc/62/09/98/1129620998.db2.gz JTGULZVCEJPSLD-CQSZACIVSA-N 1 2 347.365 3.950 20 5 EHBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)c(F)c1 ZINC000508990535 1129621001 /nfs/dbraw/zinc/62/10/01/1129621001.db2.gz JTGULZVCEJPSLD-CQSZACIVSA-N 1 2 347.365 3.950 20 5 EHBDLO C[C@@H](c1cccs1)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000096990606 1129753669 /nfs/dbraw/zinc/75/36/69/1129753669.db2.gz MQRSKXOTSPYBMP-NSHDSACASA-N 1 2 344.396 3.899 20 5 EHBDLO C[C@@H](c1cccs1)[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000096990606 1129753671 /nfs/dbraw/zinc/75/36/71/1129753671.db2.gz MQRSKXOTSPYBMP-NSHDSACASA-N 1 2 344.396 3.899 20 5 EHBDLO CC(C)(C)CCCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000303256853 1129833198 /nfs/dbraw/zinc/83/31/98/1129833198.db2.gz OLTWHNUHANGLHE-UHFFFAOYSA-N 1 2 344.415 3.727 20 5 EHBDLO CCOc1cc(C[N@H+]2Cc3ccccc3O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000429163988 1129906186 /nfs/dbraw/zinc/90/61/86/1129906186.db2.gz WGLBVXBCSAKAOO-AWEZNQCLSA-N 1 2 342.395 3.777 20 5 EHBDLO CCOc1cc(C[N@@H+]2Cc3ccccc3O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000429163988 1129906189 /nfs/dbraw/zinc/90/61/89/1129906189.db2.gz WGLBVXBCSAKAOO-AWEZNQCLSA-N 1 2 342.395 3.777 20 5 EHBDLO C[C@@H]1C[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C[C@H](C)S1 ZINC000743378578 1131915053 /nfs/dbraw/zinc/91/50/53/1131915053.db2.gz XGRAVXHWXZDCMY-AOOOYVTPSA-N 1 2 339.442 3.655 20 5 EHBDLO C[C@@H]1C[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C[C@H](C)S1 ZINC000743378578 1131915060 /nfs/dbraw/zinc/91/50/60/1131915060.db2.gz XGRAVXHWXZDCMY-AOOOYVTPSA-N 1 2 339.442 3.655 20 5 EHBDLO Cn1c[nH+]c2cc(Nc3nc4ccc([N+](=O)[O-])cc4s3)ccc21 ZINC000743460411 1131925983 /nfs/dbraw/zinc/92/59/83/1131925983.db2.gz YKCZJMQFDLHEMK-UHFFFAOYSA-N 1 2 325.353 3.835 20 5 EHBDLO O=C(CCc1c2ccccc2cc2ccccc21)NCCn1cc[nH+]c1 ZINC001182411354 1133650984 /nfs/dbraw/zinc/65/09/84/1133650984.db2.gz WGLVCOYNYCKTIJ-UHFFFAOYSA-N 1 2 343.430 3.939 20 5 EHBDLO Cc1c(C[NH+]2CC(O)(c3cccc4ccccc43)C2)cccc1[N+](=O)[O-] ZINC001182626305 1133707907 /nfs/dbraw/zinc/70/79/07/1133707907.db2.gz YJIAAQAQGVTDJL-UHFFFAOYSA-N 1 2 348.402 3.760 20 5 EHBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCc1c[nH+]c(C)cc1C ZINC001186695551 1134244722 /nfs/dbraw/zinc/24/47/22/1134244722.db2.gz BCXHYIFNUFVKOZ-UHFFFAOYSA-N 1 2 349.774 3.659 20 5 EHBDLO Cc1cc(C)c2c(c1)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000775077349 1134287624 /nfs/dbraw/zinc/28/76/24/1134287624.db2.gz BVUPNVGJWSWNTH-UHFFFAOYSA-N 1 2 341.367 3.678 20 5 EHBDLO Cc1cc(C)c2c(c1)C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000775077349 1134287627 /nfs/dbraw/zinc/28/76/27/1134287627.db2.gz BVUPNVGJWSWNTH-UHFFFAOYSA-N 1 2 341.367 3.678 20 5 EHBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@H]3[C@H](C2)C3(F)F)c1 ZINC001192388086 1135010773 /nfs/dbraw/zinc/01/07/73/1135010773.db2.gz FMKHJJISBMETGU-NEPJUHHUSA-N 1 2 336.260 3.701 20 5 EHBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@@H]3[C@H](C2)C3(F)F)c1 ZINC001192388086 1135010780 /nfs/dbraw/zinc/01/07/80/1135010780.db2.gz FMKHJJISBMETGU-NEPJUHHUSA-N 1 2 336.260 3.701 20 5 EHBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH+]1CCC2(CCO2)CC1 ZINC000810001220 1135912468 /nfs/dbraw/zinc/91/24/68/1135912468.db2.gz ARWGWMDFDNVYMD-UHFFFAOYSA-N 1 2 331.199 3.657 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)ccc1Cl ZINC000810093560 1135920270 /nfs/dbraw/zinc/92/02/70/1135920270.db2.gz OCYLLNWFZZDZNT-CVEARBPZSA-N 1 2 336.819 3.782 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)ccc1Cl ZINC000810093560 1135920272 /nfs/dbraw/zinc/92/02/72/1135920272.db2.gz OCYLLNWFZZDZNT-CVEARBPZSA-N 1 2 336.819 3.782 20 5 EHBDLO C[C@H](CN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)(C)C ZINC001133247756 1136194926 /nfs/dbraw/zinc/19/49/26/1136194926.db2.gz QZZRCYCAIZRBMH-CYBMUJFWSA-N 1 2 344.415 3.535 20 5 EHBDLO CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000851739112 1136403280 /nfs/dbraw/zinc/40/32/80/1136403280.db2.gz CGHJILNJMYAFLQ-UHFFFAOYSA-N 1 2 343.305 3.932 20 5 EHBDLO CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000851739112 1136403282 /nfs/dbraw/zinc/40/32/82/1136403282.db2.gz CGHJILNJMYAFLQ-UHFFFAOYSA-N 1 2 343.305 3.932 20 5 EHBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1Cc2ccccc2OC(C)(C)C1 ZINC001170796202 1136625170 /nfs/dbraw/zinc/62/51/70/1136625170.db2.gz ZKBZZIIZGNCBOH-UHFFFAOYSA-N 1 2 342.395 3.777 20 5 EHBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1Cc2ccccc2OC(C)(C)C1 ZINC001170796202 1136625171 /nfs/dbraw/zinc/62/51/71/1136625171.db2.gz ZKBZZIIZGNCBOH-UHFFFAOYSA-N 1 2 342.395 3.777 20 5 EHBDLO C[C@@H]1CC=CC[C@H]1COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000857781395 1136907316 /nfs/dbraw/zinc/90/73/16/1136907316.db2.gz KXMAGBLSYWVIRG-HIFRSBDPSA-N 1 2 341.367 3.540 20 5 EHBDLO Cc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(C)c2)cc([N+](=O)[O-])c1 ZINC001136624759 1137072866 /nfs/dbraw/zinc/07/28/66/1137072866.db2.gz ISPUOFRPJDMWCY-UHFFFAOYSA-N 1 2 336.351 3.650 20 5 EHBDLO CCC(=O)Nc1cccc(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872024940 1137565781 /nfs/dbraw/zinc/56/57/81/1137565781.db2.gz FPLCVOQYMVWISD-GFCCVEGCSA-N 1 2 345.374 3.933 20 5 EHBDLO CCc1nc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cs1 ZINC000174249014 1139408944 /nfs/dbraw/zinc/40/89/44/1139408944.db2.gz HZFXXKNNXXHHAL-UHFFFAOYSA-N 1 2 347.440 3.657 20 5 EHBDLO C[C@H]1CSCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000179661449 1139772873 /nfs/dbraw/zinc/77/28/73/1139772873.db2.gz DJYZNTBASHAGIT-NSHDSACASA-N 1 2 335.454 3.656 20 5 EHBDLO C[C@H]1CSCC[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000179661449 1139772878 /nfs/dbraw/zinc/77/28/78/1139772878.db2.gz DJYZNTBASHAGIT-NSHDSACASA-N 1 2 335.454 3.656 20 5 EHBDLO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000267491675 1140797677 /nfs/dbraw/zinc/79/76/77/1140797677.db2.gz FGRUCVGSLITVFY-GOSISDBHSA-N 1 2 336.395 3.819 20 5 EHBDLO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000267491675 1140797683 /nfs/dbraw/zinc/79/76/83/1140797683.db2.gz FGRUCVGSLITVFY-GOSISDBHSA-N 1 2 336.395 3.819 20 5 EHBDLO O=[N+]([O-])c1ccc(NCCc2[nH]c3ccccc3[nH+]2)c2ccncc21 ZINC000078435072 217052540 /nfs/dbraw/zinc/05/25/40/217052540.db2.gz UMNTXMCCESFJKY-UHFFFAOYSA-N 1 2 333.351 3.674 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+]C1(c2nc(C)cs2)CCCC1 ZINC000430197129 1014823724 /nfs/dbraw/zinc/82/37/24/1014823724.db2.gz UPWWJZNZYGTVLP-UHFFFAOYSA-N 1 2 347.440 3.927 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](c1nc(C)cs1)C1CC1 ZINC000430223242 1015100567 /nfs/dbraw/zinc/10/05/67/1015100567.db2.gz UQGYMVUKADEEGH-OAHLLOKOSA-N 1 2 333.413 3.609 20 5 EHBDLO Cc1cc(-n2cc[nH+]c2)ccc1CSc1ncccc1[N+](=O)[O-] ZINC000190945824 1032419444 /nfs/dbraw/zinc/41/94/44/1032419444.db2.gz IEGVTHSAPUHSKY-UHFFFAOYSA-N 1 2 326.381 3.776 20 5 EHBDLO C[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)c1ccccn1 ZINC000602505975 1032940881 /nfs/dbraw/zinc/94/08/81/1032940881.db2.gz RBAIIYXLMVPCBF-QMMMGPOBSA-N 1 2 342.218 3.665 20 5 EHBDLO Cc1ccc(-c2noc([C@@H](CC(C)C)n3cc[nH+]c3)n2)cc1[N+](=O)[O-] ZINC000923822376 1032971895 /nfs/dbraw/zinc/97/18/95/1032971895.db2.gz VJKVSXLCLQYNMK-OAHLLOKOSA-N 1 2 341.371 3.785 20 5 EHBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCOC[C@@H]1Cc1ccccc1 ZINC000507685692 1021434948 /nfs/dbraw/zinc/43/49/48/1021434948.db2.gz ULEVWCKOYIUJQE-SMTIMMHKSA-N 1 2 338.407 3.552 20 5 EHBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCOC[C@@H]1Cc1ccccc1 ZINC000507685692 1021434960 /nfs/dbraw/zinc/43/49/60/1021434960.db2.gz ULEVWCKOYIUJQE-SMTIMMHKSA-N 1 2 338.407 3.552 20 5 EHBDLO COc1ccc(CNc2[nH+]c3cccc(Cl)c3n2C)cc1[N+](=O)[O-] ZINC000184310516 1022864636 /nfs/dbraw/zinc/86/46/36/1022864636.db2.gz RTETZIFDZMGTHQ-UHFFFAOYSA-N 1 2 346.774 3.756 20 5 EHBDLO C[N@H+](Cc1cccc2c1OC(C)(C)C2)Cc1ccccc1[N+](=O)[O-] ZINC000507145111 1023147117 /nfs/dbraw/zinc/14/71/17/1023147117.db2.gz QZNKXDAQQJESHU-UHFFFAOYSA-N 1 2 326.396 3.940 20 5 EHBDLO C[N@@H+](Cc1cccc2c1OC(C)(C)C2)Cc1ccccc1[N+](=O)[O-] ZINC000507145111 1023147129 /nfs/dbraw/zinc/14/71/29/1023147129.db2.gz QZNKXDAQQJESHU-UHFFFAOYSA-N 1 2 326.396 3.940 20 5 EHBDLO C[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1cc(F)c(Cl)cc1Cl ZINC000602796522 1033169177 /nfs/dbraw/zinc/16/91/77/1033169177.db2.gz BINFINHKLZKNKI-SSDOTTSWSA-N 1 2 347.177 3.625 20 5 EHBDLO O=[N+]([O-])c1cccc2c1ccnc2N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895350339 1024352606 /nfs/dbraw/zinc/35/26/06/1024352606.db2.gz RCJVGZHIPQXCQH-UHFFFAOYSA-N 1 2 349.394 3.619 20 5 EHBDLO Cc1ccnc(NC2CCC(Nc3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000346101785 1024401870 /nfs/dbraw/zinc/40/18/70/1024401870.db2.gz LYGCDYNTCRCVNM-UHFFFAOYSA-N 1 2 327.388 3.528 20 5 EHBDLO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)[nH]1 ZINC000277369122 1024780333 /nfs/dbraw/zinc/78/03/33/1024780333.db2.gz WUIJNULDJIPNAQ-WCFLWFBJSA-N 1 2 331.420 3.947 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1nnc2n1CCCCC2 ZINC000522052805 1025904167 /nfs/dbraw/zinc/90/41/67/1025904167.db2.gz XHVUROUYJUPMOG-KBPBESRZSA-N 1 2 343.431 3.633 20 5 EHBDLO Cc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1C ZINC000016031820 1028001728 /nfs/dbraw/zinc/00/17/28/1028001728.db2.gz VXHLJSVMAXWLNG-UHFFFAOYSA-N 1 2 336.351 3.650 20 5 EHBDLO CCc1onc(C)c1C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000897336697 1028562060 /nfs/dbraw/zinc/56/20/60/1028562060.db2.gz LVQQUUFGNFEMCP-UHFFFAOYSA-N 1 2 343.305 3.762 20 5 EHBDLO CCOC(=O)c1cc(NCCCc2cccc(C)[nH+]2)ccc1[N+](=O)[O-] ZINC000343226716 1029819899 /nfs/dbraw/zinc/81/98/99/1029819899.db2.gz SNYXTIJSIPIIEB-UHFFFAOYSA-N 1 2 343.383 3.520 20 5 EHBDLO C[C@@H](CNC(=O)c1cc2ccccc2c2cccnc12)Cn1cc[nH+]c1 ZINC000172622216 1030977763 /nfs/dbraw/zinc/97/77/63/1030977763.db2.gz YMUGILXYJUYKRQ-HNNXBMFYSA-N 1 2 344.418 3.651 20 5 EHBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803384 1031705909 /nfs/dbraw/zinc/70/59/09/1031705909.db2.gz CNPUUVZBRPXQOQ-SWLSCSKDSA-N 1 2 345.424 3.820 20 5 EHBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803384 1031705920 /nfs/dbraw/zinc/70/59/20/1031705920.db2.gz CNPUUVZBRPXQOQ-SWLSCSKDSA-N 1 2 345.424 3.820 20 5 EHBDLO CCCCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H](C)CC ZINC000448940241 1031958627 /nfs/dbraw/zinc/95/86/27/1031958627.db2.gz ZYHNSTNIEOUKAU-CQSZACIVSA-N 1 2 344.415 3.821 20 5 EHBDLO CCCOc1ncccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595010517 1033632721 /nfs/dbraw/zinc/63/27/21/1033632721.db2.gz XFQOQWGPBDWOQU-CYBMUJFWSA-N 1 2 345.399 3.638 20 5 EHBDLO CCCOc1ncccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595010518 1033633422 /nfs/dbraw/zinc/63/34/22/1033633422.db2.gz XFQOQWGPBDWOQU-ZDUSSCGKSA-N 1 2 345.399 3.638 20 5 EHBDLO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2[N+](=O)[O-])o1 ZINC000595443786 1033806048 /nfs/dbraw/zinc/80/60/48/1033806048.db2.gz YGWXLFRRZVZGRS-HNNXBMFYSA-N 1 2 334.347 3.810 20 5 EHBDLO COCc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2[N+](=O)[O-])o1 ZINC000595443786 1033806059 /nfs/dbraw/zinc/80/60/59/1033806059.db2.gz YGWXLFRRZVZGRS-HNNXBMFYSA-N 1 2 334.347 3.810 20 5 EHBDLO Cc1noc(C[N@@H+](C)[C@@H]2C[C@H](Oc3ccccc3)C2(C)C)c1[N+](=O)[O-] ZINC000595494430 1033831129 /nfs/dbraw/zinc/83/11/29/1033831129.db2.gz BMZWXAJAOBHNRM-CVEARBPZSA-N 1 2 345.399 3.569 20 5 EHBDLO Cc1noc(C[N@H+](C)[C@@H]2C[C@H](Oc3ccccc3)C2(C)C)c1[N+](=O)[O-] ZINC000595494430 1033831144 /nfs/dbraw/zinc/83/11/44/1033831144.db2.gz BMZWXAJAOBHNRM-CVEARBPZSA-N 1 2 345.399 3.569 20 5 EHBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593119214 1033969373 /nfs/dbraw/zinc/96/93/73/1033969373.db2.gz VRWBSPDNSRLEHE-GFCCVEGCSA-N 1 2 347.159 3.588 20 5 EHBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593119214 1033969386 /nfs/dbraw/zinc/96/93/86/1033969386.db2.gz VRWBSPDNSRLEHE-GFCCVEGCSA-N 1 2 347.159 3.588 20 5 EHBDLO O=[N+]([O-])c1cc(N2CCC[C@@H](n3cc[nH+]c3)C2)ccc1C(F)(F)F ZINC000596112691 1034097308 /nfs/dbraw/zinc/09/73/08/1034097308.db2.gz SAUFPJDJIZLAFJ-GFCCVEGCSA-N 1 2 340.305 3.652 20 5 EHBDLO COC(=O)c1c(Cl)c(NCc2cc(C)[nH+]c(C)c2)ccc1[N+](=O)[O-] ZINC000596280348 1034141572 /nfs/dbraw/zinc/14/15/72/1034141572.db2.gz YHTAGFZVFAGCDB-UHFFFAOYSA-N 1 2 349.774 3.659 20 5 EHBDLO C[C@@H](c1cc(F)ccc1F)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000604082200 1034191233 /nfs/dbraw/zinc/19/12/33/1034191233.db2.gz UOUYMEMNPDKBGZ-ZDUSSCGKSA-N 1 2 347.365 3.756 20 5 EHBDLO Cc1cn2c([nH+]1)[C@H](CNc1nccc3c1cccc3[N+](=O)[O-])CCC2 ZINC000450406078 1034287661 /nfs/dbraw/zinc/28/76/61/1034287661.db2.gz PQOIBUOYTPLLHN-ZDUSSCGKSA-N 1 2 337.383 3.637 20 5 EHBDLO O=[N+]([O-])c1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)c2ccncc21 ZINC000066372365 1035419066 /nfs/dbraw/zinc/41/90/66/1035419066.db2.gz CFHFLSXGRJHNGI-UHFFFAOYSA-N 1 2 345.362 3.941 20 5 EHBDLO CCOc1cc(C[N@H+](CCOC)Cc2ccc(C)o2)ccc1[N+](=O)[O-] ZINC000492793546 1036308631 /nfs/dbraw/zinc/30/86/31/1036308631.db2.gz VMIBNXGIKVPLGS-UHFFFAOYSA-N 1 2 348.399 3.544 20 5 EHBDLO CCOc1cc(C[N@@H+](CCOC)Cc2ccc(C)o2)ccc1[N+](=O)[O-] ZINC000492793546 1036308644 /nfs/dbraw/zinc/30/86/44/1036308644.db2.gz VMIBNXGIKVPLGS-UHFFFAOYSA-N 1 2 348.399 3.544 20 5 EHBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000541700134 1036576761 /nfs/dbraw/zinc/57/67/61/1036576761.db2.gz HXHWYXCCUWNHML-AEFFLSMTSA-N 1 2 340.423 3.989 20 5 EHBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000541700134 1036576771 /nfs/dbraw/zinc/57/67/71/1036576771.db2.gz HXHWYXCCUWNHML-AEFFLSMTSA-N 1 2 340.423 3.989 20 5 EHBDLO CCc1ccccc1OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000912713390 1040144494 /nfs/dbraw/zinc/14/44/94/1040144494.db2.gz WZMROYCHRZLSAB-UHFFFAOYSA-N 1 2 337.335 3.562 20 5 EHBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)c1ccccc1F ZINC000026924340 1041757529 /nfs/dbraw/zinc/75/75/29/1041757529.db2.gz LEEUSJLBNIBXKW-MRXNPFEDSA-N 1 2 338.766 3.553 20 5 EHBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)c1ccccc1F ZINC000026924340 1041757535 /nfs/dbraw/zinc/75/75/35/1041757535.db2.gz LEEUSJLBNIBXKW-MRXNPFEDSA-N 1 2 338.766 3.553 20 5 EHBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](c1ncc(C)s1)C1CC1 ZINC000185285254 1126858150 /nfs/dbraw/zinc/85/81/50/1126858150.db2.gz ZVAGJAWOHVPEMQ-OAHLLOKOSA-N 1 2 333.413 3.609 20 5 EHBDLO O=[N+]([O-])c1ccc(NCc2cc[nH+]c(N3CCCCC3)c2)c(F)c1 ZINC000301073467 1121360217 /nfs/dbraw/zinc/36/02/17/1121360217.db2.gz FESFOAFAWIMVQO-UHFFFAOYSA-N 1 2 330.363 3.731 20 5 EHBDLO C[C@H](c1ccc(F)c(F)c1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000497615052 1122610101 /nfs/dbraw/zinc/61/01/01/1122610101.db2.gz FOKOHVTWJDIBCQ-CYBMUJFWSA-N 1 2 347.365 3.756 20 5 EHBDLO CN(c1ccccc1)c1ccc(C[NH2+]Cc2cocn2)cc1[N+](=O)[O-] ZINC000609353929 1123553956 /nfs/dbraw/zinc/55/39/56/1123553956.db2.gz DSLPJVIBBXIESR-UHFFFAOYSA-N 1 2 338.367 3.641 20 5 EHBDLO Cc1cccn2cc(CCNc3ccc([N+](=O)[O-])c4cccnc34)[nH+]c12 ZINC000080675769 1124991564 /nfs/dbraw/zinc/99/15/64/1124991564.db2.gz WHMILUFYWZRGSN-UHFFFAOYSA-N 1 2 347.378 3.754 20 5 EHBDLO CCCn1nc(C)c(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1C ZINC000154302045 1129548337 /nfs/dbraw/zinc/54/83/37/1129548337.db2.gz BQJOHMJBKNZAMR-UHFFFAOYSA-N 1 2 342.443 3.983 20 5 EHBDLO CCCn1nc(C)c(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1C ZINC000154302045 1129548338 /nfs/dbraw/zinc/54/83/38/1129548338.db2.gz BQJOHMJBKNZAMR-UHFFFAOYSA-N 1 2 342.443 3.983 20 5 EHBDLO CCc1nn(C)c(CC)c1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154325438 1129550070 /nfs/dbraw/zinc/55/00/70/1129550070.db2.gz FEVVQHTWJWRZSZ-UHFFFAOYSA-N 1 2 342.443 3.618 20 5 EHBDLO CCc1nn(C)c(CC)c1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154325438 1129550071 /nfs/dbraw/zinc/55/00/71/1129550071.db2.gz FEVVQHTWJWRZSZ-UHFFFAOYSA-N 1 2 342.443 3.618 20 5 EHBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(Oc3ccccc3)CC2)c(F)c1 ZINC000352691244 1129907435 /nfs/dbraw/zinc/90/74/35/1129907435.db2.gz KUENPDZMMYIZRB-UHFFFAOYSA-N 1 2 330.359 3.777 20 5 EHBDLO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)cc1[N+](=O)[O-] ZINC000245743564 1130319535 /nfs/dbraw/zinc/31/95/35/1130319535.db2.gz MHOXDXNVTDIBMA-CXAGYDPISA-N 1 2 332.425 3.927 20 5 EHBDLO Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)cc1[N+](=O)[O-] ZINC000245743564 1130319542 /nfs/dbraw/zinc/31/95/42/1130319542.db2.gz MHOXDXNVTDIBMA-CXAGYDPISA-N 1 2 332.425 3.927 20 5 EHBDLO O=[N+]([O-])c1ccc(Nc2ccc3[nH+]cc(Br)n3c2)cc1 ZINC001174477727 1132381316 /nfs/dbraw/zinc/38/13/16/1132381316.db2.gz XUFYDPGUPNTQHN-UHFFFAOYSA-N 1 2 333.145 3.749 20 5 EHBDLO CCOc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000774821030 1134032078 /nfs/dbraw/zinc/03/20/78/1134032078.db2.gz SYHXJTKUQFJUJG-UHFFFAOYSA-N 1 2 345.355 3.534 20 5 EHBDLO CCOc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000774821030 1134032084 /nfs/dbraw/zinc/03/20/84/1134032084.db2.gz SYHXJTKUQFJUJG-UHFFFAOYSA-N 1 2 345.355 3.534 20 5 EHBDLO COc1ccc(C[C@H](C)[N@@H+]2Cc3cccc(F)c3C2)c([N+](=O)[O-])c1 ZINC001170348701 1134759878 /nfs/dbraw/zinc/75/98/78/1134759878.db2.gz ZSQQRRQHHUIDSG-LBPRGKRZSA-N 1 2 330.359 3.689 20 5 EHBDLO COc1ccc(C[C@H](C)[N@H+]2Cc3cccc(F)c3C2)c([N+](=O)[O-])c1 ZINC001170348701 1134759884 /nfs/dbraw/zinc/75/98/84/1134759884.db2.gz ZSQQRRQHHUIDSG-LBPRGKRZSA-N 1 2 330.359 3.689 20 5 EHBDLO CSc1ccccc1C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000793231417 1134880244 /nfs/dbraw/zinc/88/02/44/1134880244.db2.gz CZBPZWMLSABIJO-UHFFFAOYSA-N 1 2 347.396 3.857 20 5 EHBDLO CSc1ccccc1C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000793231417 1134880249 /nfs/dbraw/zinc/88/02/49/1134880249.db2.gz CZBPZWMLSABIJO-UHFFFAOYSA-N 1 2 347.396 3.857 20 5 EHBDLO COc1ncccc1C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811473687 1136095944 /nfs/dbraw/zinc/09/59/44/1136095944.db2.gz IDYVEJXJUPPQNW-UHFFFAOYSA-N 1 2 342.182 3.595 20 5 EHBDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC000339071883 1137276216 /nfs/dbraw/zinc/27/62/16/1137276216.db2.gz UNODKLIQRCWRNY-SNVBAGLBSA-N 1 2 338.310 3.753 20 5 EHBDLO COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872038857 1137566907 /nfs/dbraw/zinc/56/69/07/1137566907.db2.gz PJWJRNWAHQQGKH-ABAIWWIYSA-N 1 2 346.358 3.917 20 5 EHBDLO COC[C@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000872084812 1137570517 /nfs/dbraw/zinc/57/05/17/1137570517.db2.gz IMMBTHWTZKMVPH-LRDDRELGSA-N 1 2 348.374 3.781 20 5 EHBDLO O=C(Oc1cccc(Cl)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000876478612 1137653365 /nfs/dbraw/zinc/65/33/65/1137653365.db2.gz LGBIKEQXSKAXDF-UHFFFAOYSA-N 1 2 343.726 3.653 20 5 EHBDLO O=c1[nH]ccc2oc(C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc21 ZINC000876581524 1137656236 /nfs/dbraw/zinc/65/62/36/1137656236.db2.gz LPZRGSBDCPRXPP-UHFFFAOYSA-N 1 2 339.351 3.606 20 5 EHBDLO O=c1[nH]ccc2oc(C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc21 ZINC000876581524 1137656237 /nfs/dbraw/zinc/65/62/37/1137656237.db2.gz LPZRGSBDCPRXPP-UHFFFAOYSA-N 1 2 339.351 3.606 20 5 EHBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(c3nc(C4CCC4)no3)CC2)cs1 ZINC000877735916 1137687197 /nfs/dbraw/zinc/68/71/97/1137687197.db2.gz MHIGQOOYUVRKQW-UHFFFAOYSA-N 1 2 348.428 3.686 20 5 EHBDLO C[C@@H](c1ccco1)[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000119147676 1137938592 /nfs/dbraw/zinc/93/85/92/1137938592.db2.gz YYRWMJMAZWKURT-LBPRGKRZSA-N 1 2 344.367 3.780 20 5 EHBDLO C[C@@H](c1ccco1)[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000119147676 1137938593 /nfs/dbraw/zinc/93/85/93/1137938593.db2.gz YYRWMJMAZWKURT-LBPRGKRZSA-N 1 2 344.367 3.780 20 5 EHBDLO C[C@H]1SCC[N@H+](Cc2cccnc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000886014441 1138032154 /nfs/dbraw/zinc/03/21/54/1138032154.db2.gz HQRKTEWTVFTWIH-CZUORRHYSA-N 1 2 329.425 3.668 20 5 EHBDLO C[C@H]1SCC[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000886014441 1138032157 /nfs/dbraw/zinc/03/21/57/1138032157.db2.gz HQRKTEWTVFTWIH-CZUORRHYSA-N 1 2 329.425 3.668 20 5 EHBDLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000337247537 1138507441 /nfs/dbraw/zinc/50/74/41/1138507441.db2.gz KEUIIKNVXZPFER-UHFFFAOYSA-N 1 2 348.318 3.779 20 5 EHBDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000271508122 1141383242 /nfs/dbraw/zinc/38/32/42/1141383242.db2.gz FCCZJANSPXZPEP-CQSZACIVSA-N 1 2 334.807 3.925 20 5 EHBDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000271508122 1141383247 /nfs/dbraw/zinc/38/32/47/1141383247.db2.gz FCCZJANSPXZPEP-CQSZACIVSA-N 1 2 334.807 3.925 20 5 EHBDLO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)o1 ZINC000283170115 1141566400 /nfs/dbraw/zinc/56/64/00/1141566400.db2.gz PMDGEEWCJOCMFC-INIZCTEOSA-N 1 2 334.347 3.810 20 5 EHBDLO COCc1ccc([C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)o1 ZINC000283170115 1141566401 /nfs/dbraw/zinc/56/64/01/1141566401.db2.gz PMDGEEWCJOCMFC-INIZCTEOSA-N 1 2 334.347 3.810 20 5 EHBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H]1c1nc(C)no1 ZINC000348813442 1141585357 /nfs/dbraw/zinc/58/53/57/1141585357.db2.gz HABVJWBWWFGDPD-ONOODXEBSA-N 1 2 328.372 3.527 20 5 EHBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H]1c1nc(C)no1 ZINC000348813442 1141585361 /nfs/dbraw/zinc/58/53/61/1141585361.db2.gz HABVJWBWWFGDPD-ONOODXEBSA-N 1 2 328.372 3.527 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000430201939 1014886487 /nfs/dbraw/zinc/88/64/87/1014886487.db2.gz BTJQNJKVXDIRMB-KRWDZBQOSA-N 1 2 344.436 3.894 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000430201939 1014886503 /nfs/dbraw/zinc/88/65/03/1014886503.db2.gz BTJQNJKVXDIRMB-KRWDZBQOSA-N 1 2 344.436 3.894 20 5 EHBDLO C[N@H+](Cc1ccsc1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000120492968 1015331253 /nfs/dbraw/zinc/33/12/53/1015331253.db2.gz NOILIRNYPORBOA-UHFFFAOYSA-N 1 2 328.340 3.890 20 5 EHBDLO C[N@@H+](Cc1ccsc1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000120492968 1015331258 /nfs/dbraw/zinc/33/12/58/1015331258.db2.gz NOILIRNYPORBOA-UHFFFAOYSA-N 1 2 328.340 3.890 20 5 EHBDLO O=[N+]([O-])c1ccc(NCCCNc2cccc[nH+]2)cc1C(F)(F)F ZINC000339692176 1015543196 /nfs/dbraw/zinc/54/31/96/1015543196.db2.gz XMQCBNPADQVAPF-UHFFFAOYSA-N 1 2 340.305 3.923 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000449434813 1032549505 /nfs/dbraw/zinc/54/95/05/1032549505.db2.gz STIZLUKHZMWFMG-GWCFXTLKSA-N 1 2 332.322 3.901 20 5 EHBDLO CN(C)c1ccc(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c[nH+]1 ZINC000023618943 1017198038 /nfs/dbraw/zinc/19/80/38/1017198038.db2.gz UYXHTIWKUGIPOQ-UHFFFAOYSA-N 1 2 326.278 3.818 20 5 EHBDLO COc1ccc(C[N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])cc1O ZINC000177222828 1017600945 /nfs/dbraw/zinc/60/09/45/1017600945.db2.gz AQVYVXUDRJFTBP-UHFFFAOYSA-N 1 2 336.775 3.594 20 5 EHBDLO COc1ccc(C[N@@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])cc1O ZINC000177222828 1017600952 /nfs/dbraw/zinc/60/09/52/1017600952.db2.gz AQVYVXUDRJFTBP-UHFFFAOYSA-N 1 2 336.775 3.594 20 5 EHBDLO Cc1cc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000134045977 1022430146 /nfs/dbraw/zinc/43/01/46/1022430146.db2.gz GDPPDPWABZVCBV-BDJLRTHQSA-N 1 2 334.807 3.841 20 5 EHBDLO CCOc1cc(C[N@H+](C)Cc2nc3ccccc3o2)ccc1[N+](=O)[O-] ZINC000276913121 1023343991 /nfs/dbraw/zinc/34/39/91/1023343991.db2.gz NRPNTXHEJRJKBU-UHFFFAOYSA-N 1 2 341.367 3.767 20 5 EHBDLO CCOc1cc(C[N@@H+](C)Cc2nc3ccccc3o2)ccc1[N+](=O)[O-] ZINC000276913121 1023343996 /nfs/dbraw/zinc/34/39/96/1023343996.db2.gz NRPNTXHEJRJKBU-UHFFFAOYSA-N 1 2 341.367 3.767 20 5 EHBDLO CCOc1cc(C[NH2+][C@@H](COC)c2ccc(CC)o2)ccc1[N+](=O)[O-] ZINC000276989188 1023669111 /nfs/dbraw/zinc/66/91/11/1023669111.db2.gz ZRJWJRROBKQPRV-HNNXBMFYSA-N 1 2 348.399 3.626 20 5 EHBDLO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)c1 ZINC000477982570 1023848468 /nfs/dbraw/zinc/84/84/68/1023848468.db2.gz ABQSLJDNLYJDBL-UHFFFAOYSA-N 1 2 336.351 3.854 20 5 EHBDLO COc1cccc([C@H]2C[C@H]([N@H+](C)Cc3cc(O)ccc3[N+](=O)[O-])C2)c1 ZINC000449755316 1033174856 /nfs/dbraw/zinc/17/48/56/1033174856.db2.gz MOINECUPPSSIHE-KOMQPUFPSA-N 1 2 342.395 3.687 20 5 EHBDLO COc1cccc([C@H]2C[C@H]([N@@H+](C)Cc3cc(O)ccc3[N+](=O)[O-])C2)c1 ZINC000449755316 1033174864 /nfs/dbraw/zinc/17/48/64/1033174864.db2.gz MOINECUPPSSIHE-KOMQPUFPSA-N 1 2 342.395 3.687 20 5 EHBDLO COc1cccc(OC)c1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000895335165 1024312877 /nfs/dbraw/zinc/31/28/77/1024312877.db2.gz WCMMJZZTLDKNQO-UHFFFAOYSA-N 1 2 336.775 3.555 20 5 EHBDLO Cc1cc([N+](=O)[O-])cnc1NC1CCC(Nc2cccc[nH+]2)CC1 ZINC000346098568 1024400258 /nfs/dbraw/zinc/40/02/58/1024400258.db2.gz FZDKZXRUMGMGIE-UHFFFAOYSA-N 1 2 327.388 3.528 20 5 EHBDLO COc1cc(Nc2ccc(N3CCCCC3)[nH+]c2)c(F)cc1[N+](=O)[O-] ZINC000508237628 1024988956 /nfs/dbraw/zinc/98/89/56/1024988956.db2.gz ULHIUDXCVTVMHL-UHFFFAOYSA-N 1 2 346.362 3.871 20 5 EHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000347003038 1025417994 /nfs/dbraw/zinc/41/79/94/1025417994.db2.gz XIWBSZNVMCCTSR-QGZVFWFLSA-N 1 2 327.384 3.726 20 5 EHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000347003038 1025417996 /nfs/dbraw/zinc/41/79/96/1025417996.db2.gz XIWBSZNVMCCTSR-QGZVFWFLSA-N 1 2 327.384 3.726 20 5 EHBDLO Cc1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1C ZINC000016030928 1028000934 /nfs/dbraw/zinc/00/09/34/1028000934.db2.gz UTQMEUFJVJPHKO-UHFFFAOYSA-N 1 2 336.351 3.650 20 5 EHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000536629524 1028033223 /nfs/dbraw/zinc/03/32/23/1028033223.db2.gz ZMUAFWWLLUCRMK-KRWDZBQOSA-N 1 2 327.384 3.726 20 5 EHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000536629524 1028033240 /nfs/dbraw/zinc/03/32/40/1028033240.db2.gz ZMUAFWWLLUCRMK-KRWDZBQOSA-N 1 2 327.384 3.726 20 5 EHBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000016565112 1029417747 /nfs/dbraw/zinc/41/77/47/1029417747.db2.gz BDHZMFVVVJVYFI-UHFFFAOYSA-N 1 2 331.803 3.570 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000052248045 1029599139 /nfs/dbraw/zinc/59/91/39/1029599139.db2.gz MUJCKGQTSJEEFW-KRWDZBQOSA-N 1 2 332.787 3.822 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000052248045 1029599147 /nfs/dbraw/zinc/59/91/47/1029599147.db2.gz MUJCKGQTSJEEFW-KRWDZBQOSA-N 1 2 332.787 3.822 20 5 EHBDLO CC(C)[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)OC(C)(C)C ZINC000537648263 1030788558 /nfs/dbraw/zinc/78/85/58/1030788558.db2.gz ZXSOHRTZDJBALE-NTMALXAHSA-N 1 2 334.416 3.660 20 5 EHBDLO CC(C)[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)OC(C)(C)C ZINC000537648263 1030788576 /nfs/dbraw/zinc/78/85/76/1030788576.db2.gz ZXSOHRTZDJBALE-NTMALXAHSA-N 1 2 334.416 3.660 20 5 EHBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000482997782 1030895793 /nfs/dbraw/zinc/89/57/93/1030895793.db2.gz RGKTVHGULGAKQB-OAHLLOKOSA-N 1 2 348.406 3.900 20 5 EHBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000482997782 1030895805 /nfs/dbraw/zinc/89/58/05/1030895805.db2.gz RGKTVHGULGAKQB-OAHLLOKOSA-N 1 2 348.406 3.900 20 5 EHBDLO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1COc2cc(F)cc(F)c21 ZINC000594502330 1033403871 /nfs/dbraw/zinc/40/38/71/1033403871.db2.gz YNKDUBYPJAMXDM-UONOGXRCSA-N 1 2 332.306 3.584 20 5 EHBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC(n2cc[nH+]c2)CC1 ZINC000060296320 1034367118 /nfs/dbraw/zinc/36/71/18/1034367118.db2.gz UXTFOOSAZXYURX-UHFFFAOYSA-N 1 2 340.305 3.652 20 5 EHBDLO Cc1cnc(N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000450534346 1034509211 /nfs/dbraw/zinc/50/92/11/1034509211.db2.gz DZZZCYNSBYXIEB-HDJSIYSDSA-N 1 2 327.388 3.528 20 5 EHBDLO COC(=O)c1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cs1 ZINC000411411303 1034878233 /nfs/dbraw/zinc/87/82/33/1034878233.db2.gz GBMRHEDOCGDYSW-UHFFFAOYSA-N 1 2 346.408 3.608 20 5 EHBDLO COC(=O)c1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cs1 ZINC000411411303 1034878238 /nfs/dbraw/zinc/87/82/38/1034878238.db2.gz GBMRHEDOCGDYSW-UHFFFAOYSA-N 1 2 346.408 3.608 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN([C@@H](C)c2ccsc2)CC1 ZINC000463051946 1037702985 /nfs/dbraw/zinc/70/29/85/1037702985.db2.gz GEIYGLTWTPCUBT-HNNXBMFYSA-N 1 2 345.468 3.844 20 5 EHBDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000078463395 1037901756 /nfs/dbraw/zinc/90/17/56/1037901756.db2.gz JTPNRUGXOPOENN-ZDUSSCGKSA-N 1 2 346.818 3.526 20 5 EHBDLO C[N@H+](CCOc1ccccc1F)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494190866 1037907583 /nfs/dbraw/zinc/90/75/83/1037907583.db2.gz FDHPAQMJGJVEIT-UHFFFAOYSA-N 1 2 338.766 3.898 20 5 EHBDLO C[N@@H+](CCOc1ccccc1F)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494190866 1037907600 /nfs/dbraw/zinc/90/76/00/1037907600.db2.gz FDHPAQMJGJVEIT-UHFFFAOYSA-N 1 2 338.766 3.898 20 5 EHBDLO COc1cc(C[N@@H+]2CC[C@@](F)(c3ccccc3F)C2)ccc1[N+](=O)[O-] ZINC000549415743 1038454466 /nfs/dbraw/zinc/45/44/66/1038454466.db2.gz PKKLOWZBIVQXQN-SFHVURJKSA-N 1 2 348.349 3.813 20 5 EHBDLO COc1cc(C[N@H+]2CC[C@@](F)(c3ccccc3F)C2)ccc1[N+](=O)[O-] ZINC000549415743 1038454470 /nfs/dbraw/zinc/45/44/70/1038454470.db2.gz PKKLOWZBIVQXQN-SFHVURJKSA-N 1 2 348.349 3.813 20 5 EHBDLO Cc1noc2ncc(C[N@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)cc12 ZINC000893946020 1039867717 /nfs/dbraw/zinc/86/77/17/1039867717.db2.gz UGONMSQMFSJBIM-UHFFFAOYSA-N 1 2 338.367 3.604 20 5 EHBDLO Cc1noc2ncc(C[N@@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)cc12 ZINC000893946020 1039867740 /nfs/dbraw/zinc/86/77/40/1039867740.db2.gz UGONMSQMFSJBIM-UHFFFAOYSA-N 1 2 338.367 3.604 20 5 EHBDLO Cc1c(C[N@H+](C)CC(=O)Nc2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000051508150 1042759859 /nfs/dbraw/zinc/75/98/59/1042759859.db2.gz YGBGMDIFDNIPST-UHFFFAOYSA-N 1 2 347.802 3.627 20 5 EHBDLO Cc1c(C[N@@H+](C)CC(=O)Nc2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000051508150 1042759864 /nfs/dbraw/zinc/75/98/64/1042759864.db2.gz YGBGMDIFDNIPST-UHFFFAOYSA-N 1 2 347.802 3.627 20 5 EHBDLO COc1ccc(C[NH2+]Cc2nc(C(C)(C)C)cs2)cc1[N+](=O)[O-] ZINC000106469827 1042986091 /nfs/dbraw/zinc/98/60/91/1042986091.db2.gz GOVWXRCKZGMWKA-UHFFFAOYSA-N 1 2 335.429 3.647 20 5 EHBDLO C[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccc(F)cc1OC(F)F ZINC001168563404 1127808111 /nfs/dbraw/zinc/80/81/11/1127808111.db2.gz JKOVJORSCKUXND-SECBINFHSA-N 1 2 341.289 3.581 20 5 EHBDLO CCc1ccc([C@H](CO)[NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000494800949 1120833646 /nfs/dbraw/zinc/83/36/46/1120833646.db2.gz PSQZUTDJQNCZPE-INIZCTEOSA-N 1 2 334.803 3.634 20 5 EHBDLO CNc1ccc(Nc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)c[nH+]1 ZINC000301086574 1121524487 /nfs/dbraw/zinc/52/44/87/1121524487.db2.gz GNMBURJCUGWGRI-UHFFFAOYSA-N 1 2 336.355 3.541 20 5 EHBDLO CC(C)[N@H+](Cc1nc2ccccc2n1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000195107242 1123156556 /nfs/dbraw/zinc/15/65/56/1123156556.db2.gz VALGATVKDPZQRA-UHFFFAOYSA-N 1 2 338.411 3.892 20 5 EHBDLO CC(C)[N@@H+](Cc1nc2ccccc2n1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000195107242 1123156558 /nfs/dbraw/zinc/15/65/58/1123156558.db2.gz VALGATVKDPZQRA-UHFFFAOYSA-N 1 2 338.411 3.892 20 5 EHBDLO COc1ccc2c(c1)OCC[N@H+]([C@@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000619810632 1125414252 /nfs/dbraw/zinc/41/42/52/1125414252.db2.gz HUZRINBXOUEULP-ZDUSSCGKSA-N 1 2 328.368 3.559 20 5 EHBDLO COc1ccc2c(c1)OCC[N@@H+]([C@@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000619810632 1125414254 /nfs/dbraw/zinc/41/42/54/1125414254.db2.gz HUZRINBXOUEULP-ZDUSSCGKSA-N 1 2 328.368 3.559 20 5 EHBDLO CC(C)[N@H+](Cc1nnc(-c2ccco2)o1)Cc1ccc([N+](=O)[O-])cc1 ZINC000067458544 1129276073 /nfs/dbraw/zinc/27/60/73/1129276073.db2.gz SKJLAGGTIJMUMN-UHFFFAOYSA-N 1 2 342.355 3.648 20 5 EHBDLO CC(C)[N@@H+](Cc1nnc(-c2ccco2)o1)Cc1ccc([N+](=O)[O-])cc1 ZINC000067458544 1129276075 /nfs/dbraw/zinc/27/60/75/1129276075.db2.gz SKJLAGGTIJMUMN-UHFFFAOYSA-N 1 2 342.355 3.648 20 5 EHBDLO CCN(CC)c1ccc(Nc2ncnc3cccc([N+](=O)[O-])c32)c[nH+]1 ZINC000543450879 1129493666 /nfs/dbraw/zinc/49/36/66/1129493666.db2.gz DGLJYZKDDMHFHG-UHFFFAOYSA-N 1 2 338.371 3.523 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000245443389 1130208254 /nfs/dbraw/zinc/20/82/54/1130208254.db2.gz XCOIRLPZFSWKNE-KUHUBIRLSA-N 1 2 339.395 3.535 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000245443389 1130208261 /nfs/dbraw/zinc/20/82/61/1130208261.db2.gz XCOIRLPZFSWKNE-KUHUBIRLSA-N 1 2 339.395 3.535 20 5 EHBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CCCCC[C@H]1CO ZINC001195660170 1135453238 /nfs/dbraw/zinc/45/32/38/1135453238.db2.gz WJNHOTAHOJTJPS-LBPRGKRZSA-N 1 2 333.215 3.639 20 5 EHBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CCCCC[C@H]1CO ZINC001195660170 1135453243 /nfs/dbraw/zinc/45/32/43/1135453243.db2.gz WJNHOTAHOJTJPS-LBPRGKRZSA-N 1 2 333.215 3.639 20 5 EHBDLO CC(C)(C)OC(=O)Nc1cc(Nc2cc(O)cc([N+](=O)[O-])c2)cc[nH+]1 ZINC001199801378 1135930415 /nfs/dbraw/zinc/93/04/15/1135930415.db2.gz DLNGLQIENOQGEO-UHFFFAOYSA-N 1 2 346.343 3.786 20 5 EHBDLO C[C@@H](Nc1ccc([NH+]2CCCC2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815601755 1136617114 /nfs/dbraw/zinc/61/71/14/1136617114.db2.gz DZDSQANJDURONJ-CYBMUJFWSA-N 1 2 326.400 3.950 20 5 EHBDLO Cc1cc(CNC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000823058111 1137084273 /nfs/dbraw/zinc/08/42/73/1137084273.db2.gz YOYGTHQFYOBHQU-UHFFFAOYSA-N 1 2 347.802 3.509 20 5 EHBDLO CCOc1ccccc1C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430193982 1014783766 /nfs/dbraw/zinc/78/37/66/1014783766.db2.gz HQQIHXMVEFQLLC-UHFFFAOYSA-N 1 2 330.384 3.634 20 5 EHBDLO CCOc1ccccc1C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430193982 1014783771 /nfs/dbraw/zinc/78/37/71/1014783771.db2.gz HQQIHXMVEFQLLC-UHFFFAOYSA-N 1 2 330.384 3.634 20 5 EHBDLO CC[C@H]([NH2+]Cc1csc([C@@H](C)OC)n1)c1cccc([N+](=O)[O-])c1 ZINC000165259494 1015819290 /nfs/dbraw/zinc/81/92/90/1015819290.db2.gz AWNJHYNISQSHGI-ABAIWWIYSA-N 1 2 335.429 4.000 20 5 EHBDLO CCOC(=O)C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000510153577 1015826320 /nfs/dbraw/zinc/82/63/20/1015826320.db2.gz ABECNHMJKYEIJH-UHFFFAOYSA-N 1 2 346.383 3.628 20 5 EHBDLO CCOC(=O)C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000510153577 1015826327 /nfs/dbraw/zinc/82/63/27/1015826327.db2.gz ABECNHMJKYEIJH-UHFFFAOYSA-N 1 2 346.383 3.628 20 5 EHBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2[nH+]ccn21 ZINC000343766731 1032283694 /nfs/dbraw/zinc/28/36/94/1032283694.db2.gz GIXIDXXUWUYMML-UHFFFAOYSA-N 1 2 342.380 3.607 20 5 EHBDLO Cn1ccnc1[C@@H]([NH2+]CC1=CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000449375293 1032490489 /nfs/dbraw/zinc/49/04/89/1032490489.db2.gz GDKICQVTZPVULH-KRWDZBQOSA-N 1 2 326.400 3.508 20 5 EHBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000377733456 1018288829 /nfs/dbraw/zinc/28/88/29/1018288829.db2.gz WPSNKBSMLRTNIP-ZDUSSCGKSA-N 1 2 341.198 3.545 20 5 EHBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000377733456 1018288839 /nfs/dbraw/zinc/28/88/39/1018288839.db2.gz WPSNKBSMLRTNIP-ZDUSSCGKSA-N 1 2 341.198 3.545 20 5 EHBDLO CCCCN(CCCC)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000060657846 1022087353 /nfs/dbraw/zinc/08/73/53/1022087353.db2.gz WQKPLSRHACBYSK-UHFFFAOYSA-N 1 2 344.415 3.823 20 5 EHBDLO Cn1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c(C2CCCC2)n1 ZINC000891622399 1022133304 /nfs/dbraw/zinc/13/33/04/1022133304.db2.gz XKFYKBSGYONFPI-UHFFFAOYSA-N 1 2 328.416 3.618 20 5 EHBDLO Cn1cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c(C2CCCC2)n1 ZINC000891622399 1022133313 /nfs/dbraw/zinc/13/33/13/1022133313.db2.gz XKFYKBSGYONFPI-UHFFFAOYSA-N 1 2 328.416 3.618 20 5 EHBDLO O=c1[nH]c2cccc(C[N@@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)c2o1 ZINC000891622777 1022133841 /nfs/dbraw/zinc/13/38/41/1022133841.db2.gz JTPRCTHWFVRUCH-UHFFFAOYSA-N 1 2 339.351 3.606 20 5 EHBDLO O=c1[nH]c2cccc(C[N@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)c2o1 ZINC000891622777 1022133849 /nfs/dbraw/zinc/13/38/49/1022133849.db2.gz JTPRCTHWFVRUCH-UHFFFAOYSA-N 1 2 339.351 3.606 20 5 EHBDLO CCOc1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)nc1 ZINC000610995207 1022486171 /nfs/dbraw/zinc/48/61/71/1022486171.db2.gz KBTLLCLLEACMRP-UHFFFAOYSA-N 1 2 327.384 3.553 20 5 EHBDLO CCOc1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)nc1 ZINC000610995207 1022486187 /nfs/dbraw/zinc/48/61/87/1022486187.db2.gz KBTLLCLLEACMRP-UHFFFAOYSA-N 1 2 327.384 3.553 20 5 EHBDLO CCn1nc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c2ccccc21 ZINC000472060478 1024531507 /nfs/dbraw/zinc/53/15/07/1024531507.db2.gz UXLGQYKOXXQMGC-UHFFFAOYSA-N 1 2 344.802 3.908 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000522052808 1025905783 /nfs/dbraw/zinc/90/57/83/1025905783.db2.gz XHVUROUYJUPMOG-ZIAGYGMSSA-N 1 2 343.431 3.633 20 5 EHBDLO CC1(C)C[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC(C)(C)O1 ZINC000190570667 1026317135 /nfs/dbraw/zinc/31/71/35/1026317135.db2.gz ALBJJQNKWPBPGY-UHFFFAOYSA-N 1 2 345.399 3.639 20 5 EHBDLO Cc1[nH]c2ccc(Cn3ncc4cc([N+](=O)[O-])cc(Cl)c43)cc2[nH+]1 ZINC000342652476 1026586145 /nfs/dbraw/zinc/58/61/45/1026586145.db2.gz APAKOFBAPNBEGP-UHFFFAOYSA-N 1 2 341.758 3.831 20 5 EHBDLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000502672309 1028514236 /nfs/dbraw/zinc/51/42/36/1028514236.db2.gz ZXVVPUQYYWGGGE-ZDUSSCGKSA-N 1 2 347.365 3.756 20 5 EHBDLO Cc1[nH]c2ccc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])cc2[nH+]1 ZINC000343069517 1028947789 /nfs/dbraw/zinc/94/77/89/1028947789.db2.gz ZPOIOKIZULYHEK-UHFFFAOYSA-N 1 2 338.367 3.696 20 5 EHBDLO C[C@H](C(=O)Nc1cccc(-n2cc[nH+]c2)c1)c1cccc([N+](=O)[O-])c1 ZINC000572938843 1029488322 /nfs/dbraw/zinc/48/83/22/1029488322.db2.gz VRUBTXWXHWIEED-ZDUSSCGKSA-N 1 2 336.351 3.523 20 5 EHBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccnn2-c2ccccc2)C2CC2)c1 ZINC000448217944 1030806570 /nfs/dbraw/zinc/80/65/70/1030806570.db2.gz QUSAZOOPWMCJNN-UHFFFAOYSA-N 1 2 348.406 3.945 20 5 EHBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccnn2-c2ccccc2)C2CC2)c1 ZINC000448217944 1030806595 /nfs/dbraw/zinc/80/65/95/1030806595.db2.gz QUSAZOOPWMCJNN-UHFFFAOYSA-N 1 2 348.406 3.945 20 5 EHBDLO Cc1ccc(C[N@H+](C)CC(=O)Nc2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000160924049 1031178899 /nfs/dbraw/zinc/17/88/99/1031178899.db2.gz BORZXLWFYMUQMU-UHFFFAOYSA-N 1 2 341.411 3.591 20 5 EHBDLO Cc1ccc(C[N@@H+](C)CC(=O)Nc2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000160924049 1031178908 /nfs/dbraw/zinc/17/89/08/1031178908.db2.gz BORZXLWFYMUQMU-UHFFFAOYSA-N 1 2 341.411 3.591 20 5 EHBDLO COCc1cc[nH+]c(N[C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])c1 ZINC000593698551 1033798890 /nfs/dbraw/zinc/79/88/90/1033798890.db2.gz SWDCGYPFAIFENM-NVXWUHKLSA-N 1 2 341.411 3.960 20 5 EHBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccco2)c1 ZINC000595718536 1033962841 /nfs/dbraw/zinc/96/28/41/1033962841.db2.gz UOHDURSVHABBLX-QGZVFWFLSA-N 1 2 328.368 3.542 20 5 EHBDLO O=[N+]([O-])c1cccc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccco2)c1 ZINC000595718536 1033962852 /nfs/dbraw/zinc/96/28/52/1033962852.db2.gz UOHDURSVHABBLX-QGZVFWFLSA-N 1 2 328.368 3.542 20 5 EHBDLO O=[N+]([O-])c1cc(C(F)F)ccc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000596173621 1034117746 /nfs/dbraw/zinc/11/77/46/1034117746.db2.gz YWMURBNSGPHMKD-GFCCVEGCSA-N 1 2 334.326 3.618 20 5 EHBDLO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000450930330 1034937342 /nfs/dbraw/zinc/93/73/42/1034937342.db2.gz MDZYVOJLFXIWNJ-UHFFFAOYSA-N 1 2 333.338 3.590 20 5 EHBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000541700135 1036574912 /nfs/dbraw/zinc/57/49/12/1036574912.db2.gz HXHWYXCCUWNHML-FUHWJXTLSA-N 1 2 340.423 3.989 20 5 EHBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000541700135 1036574925 /nfs/dbraw/zinc/57/49/25/1036574925.db2.gz HXHWYXCCUWNHML-FUHWJXTLSA-N 1 2 340.423 3.989 20 5 EHBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2COc3cc(F)cc(F)c32)cc1Cl ZINC000761535657 1037117522 /nfs/dbraw/zinc/11/75/22/1037117522.db2.gz XPXUYTOQEMLMEJ-GFCCVEGCSA-N 1 2 340.713 3.750 20 5 EHBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H](CCO)c2ccccc2F)c(Cl)c1 ZINC000592159102 1037900458 /nfs/dbraw/zinc/90/04/58/1037900458.db2.gz BNIYVBAZHAUNNO-MRXNPFEDSA-N 1 2 338.766 3.601 20 5 EHBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3cc[nH]n3)o2)c(Cl)c1 ZINC000540510969 1038036533 /nfs/dbraw/zinc/03/65/33/1038036533.db2.gz WHOYLOQLJJMYIV-UHFFFAOYSA-N 1 2 332.747 3.521 20 5 EHBDLO Cc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000485796179 1039548896 /nfs/dbraw/zinc/54/88/96/1039548896.db2.gz VDYIOQUVDBNDJQ-HNNXBMFYSA-N 1 2 341.411 3.843 20 5 EHBDLO Cc1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000485796179 1039548915 /nfs/dbraw/zinc/54/89/15/1039548915.db2.gz VDYIOQUVDBNDJQ-HNNXBMFYSA-N 1 2 341.411 3.843 20 5 EHBDLO C[C@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)c1cscn1 ZINC000697869597 1039620173 /nfs/dbraw/zinc/62/01/73/1039620173.db2.gz AJZGVUZBDYZDDM-QMMMGPOBSA-N 1 2 342.218 3.665 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c(F)c1 ZINC000491194106 1040962560 /nfs/dbraw/zinc/96/25/60/1040962560.db2.gz JKPKLYICLUPNTB-MRXNPFEDSA-N 1 2 344.342 3.800 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c(F)c1 ZINC000491194106 1040962578 /nfs/dbraw/zinc/96/25/78/1040962578.db2.gz JKPKLYICLUPNTB-MRXNPFEDSA-N 1 2 344.342 3.800 20 5 EHBDLO C[C@H](C(=O)Nc1ccccc1-n1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000555722460 1041043032 /nfs/dbraw/zinc/04/30/32/1041043032.db2.gz XEEQKRTYBNRZJM-ZDUSSCGKSA-N 1 2 336.351 3.523 20 5 EHBDLO Cc1ccc(C[N@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000511862541 1041745304 /nfs/dbraw/zinc/74/53/04/1041745304.db2.gz WIPBVYOBGFRLIM-HNAYVOBHSA-N 1 2 326.396 3.865 20 5 EHBDLO Cc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000511862541 1041745308 /nfs/dbraw/zinc/74/53/08/1041745308.db2.gz WIPBVYOBGFRLIM-HNAYVOBHSA-N 1 2 326.396 3.865 20 5 EHBDLO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H](CO)c1c(F)cccc1F)CCC2 ZINC000278877600 1042809389 /nfs/dbraw/zinc/80/93/89/1042809389.db2.gz XMRMGWIFYRBOLW-IAGOWNOFSA-N 1 2 348.349 3.574 20 5 EHBDLO Cc1cn2c([nH+]1)[C@@H](CNc1ccnc3c1cccc3[N+](=O)[O-])CCC2 ZINC000432342564 1042975639 /nfs/dbraw/zinc/97/56/39/1042975639.db2.gz LEUZCUGJRKWUNJ-CYBMUJFWSA-N 1 2 337.383 3.637 20 5 EHBDLO COc1ccc(C[NH2+]Cc2ncc(C(C)(C)C)s2)cc1[N+](=O)[O-] ZINC000279107368 1043366092 /nfs/dbraw/zinc/36/60/92/1043366092.db2.gz JXWDZARVRBZGJL-UHFFFAOYSA-N 1 2 335.429 3.647 20 5 EHBDLO COc1cc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)ccc1[N+](=O)[O-] ZINC000301355257 1127739396 /nfs/dbraw/zinc/73/93/96/1127739396.db2.gz KHCBXNJOGWXHNV-UHFFFAOYSA-N 1 2 342.330 3.540 20 5 EHBDLO Cc1cc(NC[C@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338648664 1127974939 /nfs/dbraw/zinc/97/49/39/1127974939.db2.gz JJWJDJPSPDMDSO-JTQLQIEISA-N 1 2 342.321 3.867 20 5 EHBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ccccc2F)CC1 ZINC000487963638 1121357394 /nfs/dbraw/zinc/35/73/94/1121357394.db2.gz RIJYENPEWFYJFX-CQSZACIVSA-N 1 2 329.375 3.617 20 5 EHBDLO Cc1occc1C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000092451987 1121597649 /nfs/dbraw/zinc/59/76/49/1121597649.db2.gz UBAQYAANSHYWOM-UHFFFAOYSA-N 1 2 326.299 3.730 20 5 EHBDLO Cc1occc1C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000092451987 1121597656 /nfs/dbraw/zinc/59/76/56/1121597656.db2.gz UBAQYAANSHYWOM-UHFFFAOYSA-N 1 2 326.299 3.730 20 5 EHBDLO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000615836026 1123884366 /nfs/dbraw/zinc/88/43/66/1123884366.db2.gz HCDDJXOIXIMFDU-HFQYIWAZSA-N 1 2 326.400 3.601 20 5 EHBDLO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000615836026 1123884372 /nfs/dbraw/zinc/88/43/72/1123884372.db2.gz HCDDJXOIXIMFDU-HFQYIWAZSA-N 1 2 326.400 3.601 20 5 EHBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1c2ccccc2OC[C@@H]1F ZINC000922521456 1129561050 /nfs/dbraw/zinc/56/10/50/1129561050.db2.gz JWKKYPMOGUUHFB-YJBOKZPZSA-N 1 2 330.359 3.773 20 5 EHBDLO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]Cc1nc2c(s1)CCCC2 ZINC000922700131 1129631665 /nfs/dbraw/zinc/63/16/65/1129631665.db2.gz FROCCZCGOHWFRX-UHFFFAOYSA-N 1 2 337.832 3.873 20 5 EHBDLO CC[C@H]1C[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CCS1 ZINC000162903507 1129911381 /nfs/dbraw/zinc/91/13/81/1129911381.db2.gz BQAMLHVGYWAITK-NSHDSACASA-N 1 2 345.262 3.685 20 5 EHBDLO CC[C@H]1C[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CCS1 ZINC000162903507 1129911384 /nfs/dbraw/zinc/91/13/84/1129911384.db2.gz BQAMLHVGYWAITK-NSHDSACASA-N 1 2 345.262 3.685 20 5 EHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000175028098 1130397987 /nfs/dbraw/zinc/39/79/87/1130397987.db2.gz NAILGLOONFQVJL-LBPRGKRZSA-N 1 2 332.322 3.768 20 5 EHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000175028098 1130397992 /nfs/dbraw/zinc/39/79/92/1130397992.db2.gz NAILGLOONFQVJL-LBPRGKRZSA-N 1 2 332.322 3.768 20 5 EHBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000246719219 1130406764 /nfs/dbraw/zinc/40/67/64/1130406764.db2.gz LPJNQLNJZUCCJG-ACJLOTCBSA-N 1 2 330.359 3.696 20 5 EHBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000246719219 1130406769 /nfs/dbraw/zinc/40/67/69/1130406769.db2.gz LPJNQLNJZUCCJG-ACJLOTCBSA-N 1 2 330.359 3.696 20 5 EHBDLO COc1ccccc1[C@H]1CCCC[N@@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000729989213 1130663231 /nfs/dbraw/zinc/66/32/31/1130663231.db2.gz SRRNKTKZDANPOR-MRXNPFEDSA-N 1 2 344.415 3.601 20 5 EHBDLO COc1ccccc1[C@H]1CCCC[N@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000729989213 1130663234 /nfs/dbraw/zinc/66/32/34/1130663234.db2.gz SRRNKTKZDANPOR-MRXNPFEDSA-N 1 2 344.415 3.601 20 5 EHBDLO CCc1ccc(N2CC[NH+](Cc3cc(F)ccc3[N+](=O)[O-])CC2)cc1 ZINC000743867189 1131993711 /nfs/dbraw/zinc/99/37/11/1131993711.db2.gz HGFAOOFAEKRFKV-UHFFFAOYSA-N 1 2 343.402 3.619 20 5 EHBDLO CCC[C@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC001173220064 1132003408 /nfs/dbraw/zinc/00/34/08/1132003408.db2.gz SLCFKEZWIFOFAI-CJNGLKHVSA-N 1 2 336.432 3.626 20 5 EHBDLO CC[N@H+](C)[C@@H](C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000745101596 1132193717 /nfs/dbraw/zinc/19/37/17/1132193717.db2.gz RBWWHEWPBKTPEN-KBXCAEBGSA-N 1 2 342.395 3.892 20 5 EHBDLO CC[N@@H+](C)[C@@H](C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000745101596 1132193720 /nfs/dbraw/zinc/19/37/20/1132193720.db2.gz RBWWHEWPBKTPEN-KBXCAEBGSA-N 1 2 342.395 3.892 20 5 EHBDLO Cc1cc(N[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)ccc1[NH+](C)C ZINC000774321810 1133660913 /nfs/dbraw/zinc/66/09/13/1133660913.db2.gz ASURFGGGZPSVPR-NVXWUHKLSA-N 1 2 343.431 3.762 20 5 EHBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1ncc(Cl)n1C ZINC000787412611 1134000580 /nfs/dbraw/zinc/00/05/80/1134000580.db2.gz GUNJCJDOXJXEEJ-KPKJPENVSA-N 1 2 334.807 3.517 20 5 EHBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1ncc(Cl)n1C ZINC000787412611 1134000583 /nfs/dbraw/zinc/00/05/83/1134000583.db2.gz GUNJCJDOXJXEEJ-KPKJPENVSA-N 1 2 334.807 3.517 20 5 EHBDLO CCOC(=O)c1cc([N+](=O)[O-])c(NCc2c[nH+]c(C)cc2C)cc1C ZINC001186695800 1134244785 /nfs/dbraw/zinc/24/47/85/1134244785.db2.gz LAVROCJUQWZDLQ-UHFFFAOYSA-N 1 2 343.383 3.704 20 5 EHBDLO CC1(C)C[C@H](O)CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000825090940 1134308188 /nfs/dbraw/zinc/30/81/88/1134308188.db2.gz OFHLUDBFIXHELM-GFCCVEGCSA-N 1 2 347.242 3.885 20 5 EHBDLO CC1(C)C[C@H](O)CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000825090940 1134308193 /nfs/dbraw/zinc/30/81/93/1134308193.db2.gz OFHLUDBFIXHELM-GFCCVEGCSA-N 1 2 347.242 3.885 20 5 EHBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H](O)CC12CCC2 ZINC000817293109 1136792006 /nfs/dbraw/zinc/79/20/06/1136792006.db2.gz YIKCBSWZBACGQN-LBPRGKRZSA-N 1 2 345.226 3.781 20 5 EHBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000817293109 1136792008 /nfs/dbraw/zinc/79/20/08/1136792008.db2.gz YIKCBSWZBACGQN-LBPRGKRZSA-N 1 2 345.226 3.781 20 5 EHBDLO CCn1nc(C)c([N+](=O)[O-])c1Nc1ccc([NH+]2CCCCC2)cc1 ZINC000795055901 1137439205 /nfs/dbraw/zinc/43/92/05/1137439205.db2.gz DBVINDSELNDCOM-UHFFFAOYSA-N 1 2 329.404 3.854 20 5 EHBDLO O=C(Oc1ccccc1Cl)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000876032344 1137642412 /nfs/dbraw/zinc/64/24/12/1137642412.db2.gz JWMVOHDBXXHLOK-UHFFFAOYSA-N 1 2 343.726 3.653 20 5 EHBDLO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1nc(C(F)(F)F)cs1 ZINC000174957918 1139452932 /nfs/dbraw/zinc/45/29/32/1139452932.db2.gz VAGWTJJRCWVMTM-UHFFFAOYSA-N 1 2 345.346 3.745 20 5 EHBDLO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1nc(C(F)(F)F)cs1 ZINC000174957918 1139452935 /nfs/dbraw/zinc/45/29/35/1139452935.db2.gz VAGWTJJRCWVMTM-UHFFFAOYSA-N 1 2 345.346 3.745 20 5 EHBDLO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1nnc2n1CCCCC2 ZINC000266838990 1140728365 /nfs/dbraw/zinc/72/83/65/1140728365.db2.gz GGBBYGCSVIDVAA-BBRMVZONSA-N 1 2 343.431 3.715 20 5 EHBDLO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000134504099 1015574799 /nfs/dbraw/zinc/57/47/99/1015574799.db2.gz MMOUKXQRMKPMBN-OAHLLOKOSA-N 1 2 332.375 3.507 20 5 EHBDLO CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000134504099 1015574808 /nfs/dbraw/zinc/57/48/08/1015574808.db2.gz MMOUKXQRMKPMBN-OAHLLOKOSA-N 1 2 332.375 3.507 20 5 EHBDLO O=[N+]([O-])c1cccc(Nc2ccc3[nH+]cc(Br)n3c2)c1 ZINC001204439407 1016135063 /nfs/dbraw/zinc/13/50/63/1016135063.db2.gz FVNVYYATVFREIH-UHFFFAOYSA-N 1 2 333.145 3.749 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN([C@H](C)C(F)(F)F)CC1 ZINC000182827683 1019757469 /nfs/dbraw/zinc/75/74/69/1019757469.db2.gz VAMXPLDYNZNZHI-CHWSQXEVSA-N 1 2 345.365 3.533 20 5 EHBDLO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)cs1 ZINC000449584389 1032852354 /nfs/dbraw/zinc/85/23/54/1032852354.db2.gz JSEHOPYSTRHGTC-SNVBAGLBSA-N 1 2 328.315 3.851 20 5 EHBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCOC[C@@H]1Cc1ccccc1 ZINC000507685691 1021435055 /nfs/dbraw/zinc/43/50/55/1021435055.db2.gz ULEVWCKOYIUJQE-IUYMFKLXSA-N 1 2 338.407 3.552 20 5 EHBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCOC[C@@H]1Cc1ccccc1 ZINC000507685691 1021435063 /nfs/dbraw/zinc/43/50/63/1021435063.db2.gz ULEVWCKOYIUJQE-IUYMFKLXSA-N 1 2 338.407 3.552 20 5 EHBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000437576260 1021962277 /nfs/dbraw/zinc/96/22/77/1021962277.db2.gz HPEAITRIBKOVNW-KSSFIOAISA-N 1 2 339.395 3.677 20 5 EHBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000437576260 1021962285 /nfs/dbraw/zinc/96/22/85/1021962285.db2.gz HPEAITRIBKOVNW-KSSFIOAISA-N 1 2 339.395 3.677 20 5 EHBDLO C[N@@H+](Cc1cc(Br)c([N+](=O)[O-])s1)CC1=CCSC1 ZINC000602715817 1033102162 /nfs/dbraw/zinc/10/21/62/1033102162.db2.gz DAYWPMHKWDKWGC-UHFFFAOYSA-N 1 2 349.275 3.524 20 5 EHBDLO C[N@H+](Cc1cc(Br)c([N+](=O)[O-])s1)CC1=CCSC1 ZINC000602715817 1033102173 /nfs/dbraw/zinc/10/21/73/1033102173.db2.gz DAYWPMHKWDKWGC-UHFFFAOYSA-N 1 2 349.275 3.524 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCCn2nc(C(C)C)nc21 ZINC000167974233 1033135914 /nfs/dbraw/zinc/13/59/14/1033135914.db2.gz YZYSAPHMQVNYPT-CJNGLKHVSA-N 1 2 343.431 3.804 20 5 EHBDLO C[C@@H]([NH2+]Cc1csc(C(F)(F)F)n1)c1ccc([N+](=O)[O-])cc1 ZINC000896509486 1025492118 /nfs/dbraw/zinc/49/21/18/1025492118.db2.gz FRMFFBPNGKNATJ-MRVPVSSYSA-N 1 2 331.319 3.921 20 5 EHBDLO CCc1ccccc1NC(=O)C[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000051559444 1025731196 /nfs/dbraw/zinc/73/11/96/1025731196.db2.gz RHCANTINKHKAPA-UHFFFAOYSA-N 1 2 341.411 3.536 20 5 EHBDLO CCc1ccccc1NC(=O)C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000051559444 1025731211 /nfs/dbraw/zinc/73/12/11/1025731211.db2.gz RHCANTINKHKAPA-UHFFFAOYSA-N 1 2 341.411 3.536 20 5 EHBDLO C[C@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000451413852 1025944623 /nfs/dbraw/zinc/94/46/23/1025944623.db2.gz ZGHLIYAVIGXOQZ-UWVGGRQHSA-N 1 2 342.321 3.634 20 5 EHBDLO C[C@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000451413852 1025944641 /nfs/dbraw/zinc/94/46/41/1025944641.db2.gz ZGHLIYAVIGXOQZ-UWVGGRQHSA-N 1 2 342.321 3.634 20 5 EHBDLO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000502771754 1028656594 /nfs/dbraw/zinc/65/65/94/1028656594.db2.gz YSQSWBFZLIOXRQ-OAHLLOKOSA-N 1 2 343.402 3.613 20 5 EHBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC000502771754 1028656600 /nfs/dbraw/zinc/65/66/00/1028656600.db2.gz YSQSWBFZLIOXRQ-OAHLLOKOSA-N 1 2 343.402 3.613 20 5 EHBDLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)s1 ZINC000424337777 1028958294 /nfs/dbraw/zinc/95/82/94/1028958294.db2.gz ZXYBARXIMGUDGB-WDEREUQCSA-N 1 2 349.412 3.558 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000052248046 1029597155 /nfs/dbraw/zinc/59/71/55/1029597155.db2.gz MUJCKGQTSJEEFW-QGZVFWFLSA-N 1 2 332.787 3.822 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000052248046 1029597161 /nfs/dbraw/zinc/59/71/61/1029597161.db2.gz MUJCKGQTSJEEFW-QGZVFWFLSA-N 1 2 332.787 3.822 20 5 EHBDLO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2nccn2CC)cc1[N+](=O)[O-] ZINC000453337993 1030122504 /nfs/dbraw/zinc/12/25/04/1030122504.db2.gz FRFXQOMRSOBEDR-STQMWFEESA-N 1 2 332.404 3.622 20 5 EHBDLO Cc1ccccc1[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000525786187 1030124320 /nfs/dbraw/zinc/12/43/20/1030124320.db2.gz UYJUEEZOVWQCJV-DNVCBOLYSA-N 1 2 326.396 3.865 20 5 EHBDLO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000525786187 1030124328 /nfs/dbraw/zinc/12/43/28/1030124328.db2.gz UYJUEEZOVWQCJV-DNVCBOLYSA-N 1 2 326.396 3.865 20 5 EHBDLO CC[C@@H]1CCCCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449966590 1033510109 /nfs/dbraw/zinc/51/01/09/1033510109.db2.gz HSAPTJLYVJJWCJ-OAHLLOKOSA-N 1 2 342.399 3.575 20 5 EHBDLO C/C(=C/C(=O)Nc1ccccc1-n1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000785186899 1033716514 /nfs/dbraw/zinc/71/65/14/1033716514.db2.gz ZUQVINWCIBNEFA-OWBHPGMISA-N 1 2 348.362 3.823 20 5 EHBDLO COc1ccc2oc([C@H](C)[NH2+]Cc3onc(C)c3[N+](=O)[O-])c(C)c2c1 ZINC000595427386 1033799043 /nfs/dbraw/zinc/79/90/43/1033799043.db2.gz CGCKCZMXPNXFNS-NSHDSACASA-N 1 2 345.355 3.805 20 5 EHBDLO Cc1c(C[NH+]2CCN(c3ccccc3Cl)CC2)cccc1[N+](=O)[O-] ZINC000603837808 1033962266 /nfs/dbraw/zinc/96/22/66/1033962266.db2.gz HWDSIAPOOPOYBM-UHFFFAOYSA-N 1 2 345.830 3.879 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000599620190 1034040252 /nfs/dbraw/zinc/04/02/52/1034040252.db2.gz QSQVNBAMNWMHMT-ZDUSSCGKSA-N 1 2 338.411 3.690 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000599620190 1034040267 /nfs/dbraw/zinc/04/02/67/1034040267.db2.gz QSQVNBAMNWMHMT-ZDUSSCGKSA-N 1 2 338.411 3.690 20 5 EHBDLO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599624779 1034073609 /nfs/dbraw/zinc/07/36/09/1034073609.db2.gz YLWWJNLTRSDYIE-LLVKDONJSA-N 1 2 337.326 3.869 20 5 EHBDLO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599624779 1034073620 /nfs/dbraw/zinc/07/36/20/1034073620.db2.gz YLWWJNLTRSDYIE-LLVKDONJSA-N 1 2 337.326 3.869 20 5 EHBDLO COc1ccc([C@@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)C2CC2)cn1 ZINC000599702159 1034105090 /nfs/dbraw/zinc/10/50/90/1034105090.db2.gz GFACFAMBQYKJSJ-KRWDZBQOSA-N 1 2 349.337 3.518 20 5 EHBDLO C[C@H](Nc1[nH+]cnc2c1cnn2C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000179761116 1034595845 /nfs/dbraw/zinc/59/58/45/1034595845.db2.gz VQTIJWPNSCWVMD-NSHDSACASA-N 1 2 340.387 3.663 20 5 EHBDLO Cc1c(C[NH2+][C@H](c2nc(C3CC3)no2)C(C)C)cccc1[N+](=O)[O-] ZINC000179828497 1034704196 /nfs/dbraw/zinc/70/41/96/1034704196.db2.gz BZSKCGPKBVOGSY-HNNXBMFYSA-N 1 2 330.388 3.651 20 5 EHBDLO Cc1cc(C)c(CNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c[nH+]1 ZINC000456838134 1034783203 /nfs/dbraw/zinc/78/32/03/1034783203.db2.gz LIHIADITVSPCGG-UHFFFAOYSA-N 1 2 327.384 3.660 20 5 EHBDLO O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000589102062 1036236804 /nfs/dbraw/zinc/23/68/04/1036236804.db2.gz XVRUJVRLZCVLBF-JOCQHMNTSA-N 1 2 347.806 3.873 20 5 EHBDLO C[C@H](N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000552924226 1039622615 /nfs/dbraw/zinc/62/26/15/1039622615.db2.gz BEBYVFOQAHJUFA-UCLAIMLFSA-N 1 2 325.412 3.691 20 5 EHBDLO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000552924226 1039622630 /nfs/dbraw/zinc/62/26/30/1039622630.db2.gz BEBYVFOQAHJUFA-UCLAIMLFSA-N 1 2 325.412 3.691 20 5 EHBDLO Cc1ccc(NCc2ccc(Br)c([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000094664885 1044340854 /nfs/dbraw/zinc/34/08/54/1044340854.db2.gz IOVJFDREXZQHLW-UHFFFAOYSA-N 1 2 336.189 3.981 20 5 EHBDLO C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000497615053 1122610432 /nfs/dbraw/zinc/61/04/32/1122610432.db2.gz FOKOHVTWJDIBCQ-ZDUSSCGKSA-N 1 2 347.365 3.756 20 5 EHBDLO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1COc3cc(F)cc(F)c31)CCC2 ZINC000618575537 1125121218 /nfs/dbraw/zinc/12/12/18/1125121218.db2.gz OZIYUKNTMKMPPT-JKSUJKDBSA-N 1 2 346.333 3.974 20 5 EHBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCc4ccsc4C3)co2)cc1 ZINC000132502138 1129358870 /nfs/dbraw/zinc/35/88/70/1129358870.db2.gz PDKLBQIETZWGHB-UHFFFAOYSA-N 1 2 341.392 3.870 20 5 EHBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCc4ccsc4C3)co2)cc1 ZINC000132502138 1129358875 /nfs/dbraw/zinc/35/88/75/1129358875.db2.gz PDKLBQIETZWGHB-UHFFFAOYSA-N 1 2 341.392 3.870 20 5 EHBDLO C[C@H](c1cccnc1)[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093235364 1129580772 /nfs/dbraw/zinc/58/07/72/1129580772.db2.gz VHAREAZQKXSUNH-CYBMUJFWSA-N 1 2 338.367 3.838 20 5 EHBDLO C[C@H](c1cccnc1)[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093235364 1129580774 /nfs/dbraw/zinc/58/07/74/1129580774.db2.gz VHAREAZQKXSUNH-CYBMUJFWSA-N 1 2 338.367 3.838 20 5 EHBDLO CC[C@H]1CCCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000155662269 1129657666 /nfs/dbraw/zinc/65/76/66/1129657666.db2.gz SRGFPFBUKZWWDK-HNNXBMFYSA-N 1 2 342.399 3.575 20 5 EHBDLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000161817533 1129774720 /nfs/dbraw/zinc/77/47/20/1129774720.db2.gz VZEKHHDTCKEKAY-UHFFFAOYSA-N 1 2 342.742 3.891 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000245533301 1130233177 /nfs/dbraw/zinc/23/31/77/1130233177.db2.gz VHIIBYXUZVRMRD-IFXJQAMLSA-N 1 2 342.395 3.743 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000245533301 1130233179 /nfs/dbraw/zinc/23/31/79/1130233179.db2.gz VHIIBYXUZVRMRD-IFXJQAMLSA-N 1 2 342.395 3.743 20 5 EHBDLO O=[N+]([O-])c1ccc(Nc2cc(Br)c3[nH+]ccn3c2)cc1 ZINC001174476938 1132381221 /nfs/dbraw/zinc/38/12/21/1132381221.db2.gz CWBBIXMLCJYAPR-UHFFFAOYSA-N 1 2 333.145 3.749 20 5 EHBDLO O=[N+]([O-])c1ccc2[nH]c(C(Cl)=Cc3cccc4[nH+]ccn43)nc2c1 ZINC000769608337 1133321132 /nfs/dbraw/zinc/32/11/32/1133321132.db2.gz SCRPQJYSRKFGFN-XYOKQWHBSA-N 1 2 339.742 3.856 20 5 EHBDLO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000746653578 1133962916 /nfs/dbraw/zinc/96/29/16/1133962916.db2.gz LKZZMWXSEWIBJA-CQSZACIVSA-N 1 2 348.786 3.520 20 5 EHBDLO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000746653578 1133962921 /nfs/dbraw/zinc/96/29/21/1133962921.db2.gz LKZZMWXSEWIBJA-CQSZACIVSA-N 1 2 348.786 3.520 20 5 EHBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(CC(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000792933980 1134829343 /nfs/dbraw/zinc/82/93/43/1134829343.db2.gz QGAKFXVUCGTIQL-UHFFFAOYSA-N 1 2 347.293 3.667 20 5 EHBDLO C[C@H]([NH2+]Cc1nccn1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001192674091 1135044284 /nfs/dbraw/zinc/04/42/84/1135044284.db2.gz WKENTXGXPJRYLK-HNNXBMFYSA-N 1 2 336.395 3.690 20 5 EHBDLO C[N@H+](CC(F)F)C1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000853412524 1136531401 /nfs/dbraw/zinc/53/14/01/1136531401.db2.gz AHLMTDDGAXRZCU-UHFFFAOYSA-N 1 2 349.328 3.698 20 5 EHBDLO C[N@@H+](CC(F)F)C1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000853412524 1136531404 /nfs/dbraw/zinc/53/14/04/1136531404.db2.gz AHLMTDDGAXRZCU-UHFFFAOYSA-N 1 2 349.328 3.698 20 5 EHBDLO Cc1noc(C)c1C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000815014763 1136537897 /nfs/dbraw/zinc/53/78/97/1136537897.db2.gz AJSTVVPKCOVTCO-UHFFFAOYSA-N 1 2 343.305 3.850 20 5 EHBDLO Cc1noc(C)c1C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000815014763 1136537900 /nfs/dbraw/zinc/53/79/00/1136537900.db2.gz AJSTVVPKCOVTCO-UHFFFAOYSA-N 1 2 343.305 3.850 20 5 EHBDLO CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000339006044 1136897741 /nfs/dbraw/zinc/89/77/41/1136897741.db2.gz PHISNRCTYBFKFR-SFHVURJKSA-N 1 2 341.411 3.704 20 5 EHBDLO CN(C)c1cccc([C@@H]2CCC[N@H+]2Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000339006044 1136897744 /nfs/dbraw/zinc/89/77/44/1136897744.db2.gz PHISNRCTYBFKFR-SFHVURJKSA-N 1 2 341.411 3.704 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cc(O)ccc1Cl ZINC000883326448 1137854991 /nfs/dbraw/zinc/85/49/91/1137854991.db2.gz BHBKUWFTFRXRHW-JTQLQIEISA-N 1 2 336.775 3.813 20 5 EHBDLO Cc1ccc([C@@H]2CSCC[N@@H+]2Cc2cccnc2[N+](=O)[O-])cc1 ZINC000886013023 1138032245 /nfs/dbraw/zinc/03/22/45/1138032245.db2.gz UBRJSDNQXSGALS-INIZCTEOSA-N 1 2 329.425 3.588 20 5 EHBDLO Cc1ccc([C@@H]2CSCC[N@H+]2Cc2cccnc2[N+](=O)[O-])cc1 ZINC000886013023 1138032246 /nfs/dbraw/zinc/03/22/46/1138032246.db2.gz UBRJSDNQXSGALS-INIZCTEOSA-N 1 2 329.425 3.588 20 5 EHBDLO CO[C@@H](C)c1nc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cs1 ZINC000269109203 1141066342 /nfs/dbraw/zinc/06/63/42/1141066342.db2.gz VJSINOYHUCNPCZ-RYUDHWBXSA-N 1 2 335.429 3.918 20 5 EHBDLO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2nnc(C(C)C)[nH]2)cc1[N+](=O)[O-] ZINC000271451675 1141371170 /nfs/dbraw/zinc/37/11/70/1141371170.db2.gz GHGBXGWLYWWOCV-VXGBXAGGSA-N 1 2 347.419 3.647 20 5 EHBDLO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C12CCCCC2 ZINC000339124533 1141503833 /nfs/dbraw/zinc/50/38/33/1141503833.db2.gz MQLOLEOBJBABEF-SJORKVTESA-N 1 2 334.416 3.518 20 5 EHBDLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000072058427 216000863 /nfs/dbraw/zinc/00/08/63/216000863.db2.gz VAUGWLSGRZAOMI-UHFFFAOYSA-N 1 2 342.742 3.891 20 5 EHBDLO Cc1ccc(C[N@@H+](C)[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)o1 ZINC000038311638 524398490 /nfs/dbraw/zinc/39/84/90/524398490.db2.gz KRSUCUNICKDJBK-LBPRGKRZSA-N 1 2 342.355 3.739 20 5 EHBDLO Cc1ccc(C[N@H+](C)[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)o1 ZINC000038311638 524398497 /nfs/dbraw/zinc/39/84/97/524398497.db2.gz KRSUCUNICKDJBK-LBPRGKRZSA-N 1 2 342.355 3.739 20 5 EHBDLO Cc1ccc(C[N@@H+](C)[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)o1 ZINC000038311639 524400619 /nfs/dbraw/zinc/40/06/19/524400619.db2.gz KRSUCUNICKDJBK-GFCCVEGCSA-N 1 2 342.355 3.739 20 5 EHBDLO Cc1ccc(C[N@H+](C)[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)o1 ZINC000038311639 524400624 /nfs/dbraw/zinc/40/06/24/524400624.db2.gz KRSUCUNICKDJBK-GFCCVEGCSA-N 1 2 342.355 3.739 20 5 EHBDLO COC(=O)c1oc([C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1C ZINC000537178862 1032549900 /nfs/dbraw/zinc/54/99/00/1032549900.db2.gz DTKULSRBNHHBFE-VXGBXAGGSA-N 1 2 332.356 3.695 20 5 EHBDLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000593060151 1032661066 /nfs/dbraw/zinc/66/10/66/1032661066.db2.gz YZKWCIFGADBKRK-OAHLLOKOSA-N 1 2 345.399 3.639 20 5 EHBDLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000593060151 1032661080 /nfs/dbraw/zinc/66/10/80/1032661080.db2.gz YZKWCIFGADBKRK-OAHLLOKOSA-N 1 2 345.399 3.639 20 5 EHBDLO C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)c2nccn21 ZINC000449568898 1032823023 /nfs/dbraw/zinc/82/30/23/1032823023.db2.gz DVRXBOGFYDHGEV-WFASDCNBSA-N 1 2 338.367 3.847 20 5 EHBDLO Cn1ccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)n1 ZINC000345815440 1020540865 /nfs/dbraw/zinc/54/08/65/1020540865.db2.gz JIAPYVPUHHCECG-UHFFFAOYSA-N 1 2 346.774 3.532 20 5 EHBDLO C[C@H](CCC(C)(C)C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000345928315 1020617304 /nfs/dbraw/zinc/61/73/04/1020617304.db2.gz NMHYUBUUDIOGJY-CYBMUJFWSA-N 1 2 344.415 3.725 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2cccc(F)c2[C@H]1C ZINC001167473440 1021148905 /nfs/dbraw/zinc/14/89/05/1021148905.db2.gz JQLOHFPYWDWKHH-GFCCVEGCSA-N 1 2 330.359 3.862 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2cccc(F)c2[C@H]1C ZINC001167473440 1021148907 /nfs/dbraw/zinc/14/89/07/1021148907.db2.gz JQLOHFPYWDWKHH-GFCCVEGCSA-N 1 2 330.359 3.862 20 5 EHBDLO Cc1ccc(C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc1 ZINC000602646032 1033036465 /nfs/dbraw/zinc/03/64/65/1033036465.db2.gz PDZQQSNPAVKJCZ-UHFFFAOYSA-N 1 2 339.317 3.949 20 5 EHBDLO Cc1ccc(C[N@H+](C)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc1 ZINC000602646032 1033036481 /nfs/dbraw/zinc/03/64/81/1033036481.db2.gz PDZQQSNPAVKJCZ-UHFFFAOYSA-N 1 2 339.317 3.949 20 5 EHBDLO Cc1ccc(-c2nnc(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000341577642 1022366138 /nfs/dbraw/zinc/36/61/38/1022366138.db2.gz WUJDVYVEYGXTFT-ZDUSSCGKSA-N 1 2 338.367 3.804 20 5 EHBDLO COc1cc(C[N@@H+]2CCCC[C@@H]2c2cccn2C)c([N+](=O)[O-])cc1F ZINC000184228436 1022586655 /nfs/dbraw/zinc/58/66/55/1022586655.db2.gz SHWVMSYQWCGIDQ-MRXNPFEDSA-N 1 2 347.390 3.808 20 5 EHBDLO COc1cc(C[N@H+]2CCCC[C@@H]2c2cccn2C)c([N+](=O)[O-])cc1F ZINC000184228436 1022586663 /nfs/dbraw/zinc/58/66/63/1022586663.db2.gz SHWVMSYQWCGIDQ-MRXNPFEDSA-N 1 2 347.390 3.808 20 5 EHBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccsc1Br ZINC000337868772 1022889219 /nfs/dbraw/zinc/88/92/19/1022889219.db2.gz PSIZCWXIDFQGKP-UHFFFAOYSA-N 1 2 327.203 3.709 20 5 EHBDLO O=[N+]([O-])c1cc2ccccc2nc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895353918 1024370096 /nfs/dbraw/zinc/37/00/96/1024370096.db2.gz NRPBVDWNEKZPJF-UHFFFAOYSA-N 1 2 349.394 3.619 20 5 EHBDLO CC(C)c1nnc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000451553227 1026105767 /nfs/dbraw/zinc/10/57/67/1026105767.db2.gz XWLHKLWEYSCCFX-AWEZNQCLSA-N 1 2 346.456 3.949 20 5 EHBDLO CC(C)c1nnc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000451553227 1026105775 /nfs/dbraw/zinc/10/57/75/1026105775.db2.gz XWLHKLWEYSCCFX-AWEZNQCLSA-N 1 2 346.456 3.949 20 5 EHBDLO CC(C)c1nnc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000451553229 1026105925 /nfs/dbraw/zinc/10/59/25/1026105925.db2.gz XWLHKLWEYSCCFX-CQSZACIVSA-N 1 2 346.456 3.949 20 5 EHBDLO CC(C)c1nnc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000451553229 1026105932 /nfs/dbraw/zinc/10/59/32/1026105932.db2.gz XWLHKLWEYSCCFX-CQSZACIVSA-N 1 2 346.456 3.949 20 5 EHBDLO C[C@@H]([NH2+]Cc1cc(COC(C)(C)C)on1)c1ccc([N+](=O)[O-])cc1 ZINC000186063286 1026205544 /nfs/dbraw/zinc/20/55/44/1026205544.db2.gz LLXNAFGAXWACSN-GFCCVEGCSA-N 1 2 333.388 3.749 20 5 EHBDLO O=C(C[N@@H+]1CCCCC[C@H]1c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000121268271 1026489504 /nfs/dbraw/zinc/48/95/04/1026489504.db2.gz GENNLUZCAIJYBH-INIZCTEOSA-N 1 2 343.383 3.744 20 5 EHBDLO O=C(C[N@H+]1CCCCC[C@H]1c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000121268271 1026489508 /nfs/dbraw/zinc/48/95/08/1026489508.db2.gz GENNLUZCAIJYBH-INIZCTEOSA-N 1 2 343.383 3.744 20 5 EHBDLO CC[N@H+](Cc1cccs1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000025945906 1026504417 /nfs/dbraw/zinc/50/44/17/1026504417.db2.gz FUWCVOQKWHVTDS-UHFFFAOYSA-N 1 2 344.396 3.728 20 5 EHBDLO CC[N@@H+](Cc1cccs1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000025945906 1026504427 /nfs/dbraw/zinc/50/44/27/1026504427.db2.gz FUWCVOQKWHVTDS-UHFFFAOYSA-N 1 2 344.396 3.728 20 5 EHBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1csc(C(F)(F)F)n1 ZINC000894273479 1027810170 /nfs/dbraw/zinc/81/01/70/1027810170.db2.gz RGJBVIBNFVNVHO-UHFFFAOYSA-N 1 2 345.346 3.745 20 5 EHBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1csc(C(F)(F)F)n1 ZINC000894273479 1027810190 /nfs/dbraw/zinc/81/01/90/1027810190.db2.gz RGJBVIBNFVNVHO-UHFFFAOYSA-N 1 2 345.346 3.745 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)cs1 ZINC000533100830 1029304529 /nfs/dbraw/zinc/30/45/29/1029304529.db2.gz QCPDMDMKWMLVPR-LBPRGKRZSA-N 1 2 338.816 3.963 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)cs1 ZINC000533100830 1029304539 /nfs/dbraw/zinc/30/45/39/1029304539.db2.gz QCPDMDMKWMLVPR-LBPRGKRZSA-N 1 2 338.816 3.963 20 5 EHBDLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000340436537 1030346496 /nfs/dbraw/zinc/34/64/96/1030346496.db2.gz RITQYMUOWCMJMG-WDEREUQCSA-N 1 2 349.337 3.551 20 5 EHBDLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2nc3cc([N+](=O)[O-])ccc3o2)n1 ZINC000159838271 1030391684 /nfs/dbraw/zinc/39/16/84/1030391684.db2.gz OVPKHMKOGCEQJD-MRXNPFEDSA-N 1 2 338.367 3.777 20 5 EHBDLO Cc1cccc([C@H]2CCC[N@H+]2Cc2nc3cc([N+](=O)[O-])ccc3o2)n1 ZINC000159838271 1030391699 /nfs/dbraw/zinc/39/16/99/1030391699.db2.gz OVPKHMKOGCEQJD-MRXNPFEDSA-N 1 2 338.367 3.777 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803228 1031703257 /nfs/dbraw/zinc/70/32/57/1031703257.db2.gz MYAQMULOCYYETH-MRXNPFEDSA-N 1 2 345.424 3.740 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803228 1031703273 /nfs/dbraw/zinc/70/32/73/1031703273.db2.gz MYAQMULOCYYETH-MRXNPFEDSA-N 1 2 345.424 3.740 20 5 EHBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])cc1OCC ZINC000595423720 1033794690 /nfs/dbraw/zinc/79/46/90/1033794690.db2.gz SNQSDSAWKGNNLS-LLVKDONJSA-N 1 2 349.387 3.539 20 5 EHBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000608781937 1033888153 /nfs/dbraw/zinc/88/81/53/1033888153.db2.gz GMWCLOYJINGMFG-MLGOLLRUSA-N 1 2 330.384 4.000 20 5 EHBDLO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC000697652358 1033923821 /nfs/dbraw/zinc/92/38/21/1033923821.db2.gz RIGCCQHHQWGKQD-VIFPVBQESA-N 1 2 349.175 3.977 20 5 EHBDLO C[C@H]1CC(F)(F)CC[N@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC000697652358 1033923827 /nfs/dbraw/zinc/92/38/27/1033923827.db2.gz RIGCCQHHQWGKQD-VIFPVBQESA-N 1 2 349.175 3.977 20 5 EHBDLO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H](c2ccccn2)C2CCC2)c(F)c1 ZINC000599573603 1034019553 /nfs/dbraw/zinc/01/95/53/1034019553.db2.gz JFPCTXJKFLDHIE-QGZVFWFLSA-N 1 2 333.338 3.899 20 5 EHBDLO CCc1ccc([C@@H]([NH2+]Cc2cccn2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541543335 1036420934 /nfs/dbraw/zinc/42/09/34/1036420934.db2.gz LCVRLVXAUKEMNZ-IBGZPJMESA-N 1 2 339.395 3.968 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1CNc1cc[nH+]c(OCC(F)(F)F)c1 ZINC000589596176 1036561826 /nfs/dbraw/zinc/56/18/26/1036561826.db2.gz VRXZXRXEZYFZEV-UHFFFAOYSA-N 1 2 341.289 3.851 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000541772900 1036646843 /nfs/dbraw/zinc/64/68/43/1036646843.db2.gz MUDQQUHROQKCIV-UHFFFAOYSA-N 1 2 347.802 3.627 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000541772900 1036646851 /nfs/dbraw/zinc/64/68/51/1036646851.db2.gz MUDQQUHROQKCIV-UHFFFAOYSA-N 1 2 347.802 3.627 20 5 EHBDLO COc1cc(C[N@@H+]2C[C@@H](C)[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000464680032 1036653484 /nfs/dbraw/zinc/65/34/84/1036653484.db2.gz YSOMDBLQDICXDY-KZULUSFZSA-N 1 2 330.359 3.936 20 5 EHBDLO COc1cc(C[N@H+]2C[C@@H](C)[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000464680032 1036653491 /nfs/dbraw/zinc/65/34/91/1036653491.db2.gz YSOMDBLQDICXDY-KZULUSFZSA-N 1 2 330.359 3.936 20 5 EHBDLO O=C(c1ccccc1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000491066949 1040901305 /nfs/dbraw/zinc/90/13/05/1040901305.db2.gz PGFLZBOKJLIIPR-UHFFFAOYSA-N 1 2 342.370 3.829 20 5 EHBDLO Cc1[nH]c2ccc(Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)cc2[nH+]1 ZINC000342659040 1043063579 /nfs/dbraw/zinc/06/35/79/1043063579.db2.gz LOUZFXHKRZDWIC-UHFFFAOYSA-N 1 2 333.351 3.691 20 5 EHBDLO C[C@@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000150885711 1044096073 /nfs/dbraw/zinc/09/60/73/1044096073.db2.gz FURHQFXOXARKOD-KGLIPLIRSA-N 1 2 337.383 3.587 20 5 EHBDLO C[C@@H]([NH2+]Cc1ccn(-c2ccc(F)cc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000090943975 1127892675 /nfs/dbraw/zinc/89/26/75/1127892675.db2.gz QSLVZSCOMMRWJX-CYBMUJFWSA-N 1 2 340.358 3.770 20 5 EHBDLO COc1cc(NCc2ccc(-n3cc[nH+]c3)cc2)c([N+](=O)[O-])cc1F ZINC000301612287 1128747143 /nfs/dbraw/zinc/74/71/43/1128747143.db2.gz FTIFCERBVDRONK-UHFFFAOYSA-N 1 2 342.330 3.540 20 5 EHBDLO Cc1ccc(-c2noc(-c3ccc(-n4cc[nH+]c4)cc3)n2)cc1[N+](=O)[O-] ZINC000761638740 1120662202 /nfs/dbraw/zinc/66/22/02/1120662202.db2.gz KYKZYHFAIWJXTA-UHFFFAOYSA-N 1 2 347.334 3.806 20 5 EHBDLO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000255164943 1129033515 /nfs/dbraw/zinc/03/35/15/1129033515.db2.gz HZXUJHYGIPXKSH-KUHUBIRLSA-N 1 2 342.395 3.565 20 5 EHBDLO COc1ccc(C[N@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000255164943 1129033520 /nfs/dbraw/zinc/03/35/20/1129033520.db2.gz HZXUJHYGIPXKSH-KUHUBIRLSA-N 1 2 342.395 3.565 20 5 EHBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000079025169 1129224302 /nfs/dbraw/zinc/22/43/02/1129224302.db2.gz HBIUMTUZJBZEGN-UGSOOPFHSA-N 1 2 330.359 3.868 20 5 EHBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000079025169 1129224305 /nfs/dbraw/zinc/22/43/05/1129224305.db2.gz HBIUMTUZJBZEGN-UGSOOPFHSA-N 1 2 330.359 3.868 20 5 EHBDLO Cc1c(CO[NH+]=C(N)Cc2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000729987199 1130663638 /nfs/dbraw/zinc/66/36/38/1130663638.db2.gz GKFNYXOLVZTABJ-UHFFFAOYSA-N 1 2 333.775 3.798 20 5 EHBDLO O=[N+]([O-])c1ccnn1C[N@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000746078657 1132360890 /nfs/dbraw/zinc/36/08/90/1132360890.db2.gz DKROYFUYHDIXHH-UHFFFAOYSA-N 1 2 334.379 3.691 20 5 EHBDLO O=[N+]([O-])c1ccnn1C[N@@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000746078657 1132360895 /nfs/dbraw/zinc/36/08/95/1132360895.db2.gz DKROYFUYHDIXHH-UHFFFAOYSA-N 1 2 334.379 3.691 20 5 EHBDLO COc1cc(C[N@@H+]2CCc3c(C)cccc3C2)c([N+](=O)[O-])cc1F ZINC000766770524 1132804782 /nfs/dbraw/zinc/80/47/82/1132804782.db2.gz XGOVCZCYXRTVAE-UHFFFAOYSA-N 1 2 330.359 3.609 20 5 EHBDLO COc1cc(C[N@H+]2CCc3c(C)cccc3C2)c([N+](=O)[O-])cc1F ZINC000766770524 1132804786 /nfs/dbraw/zinc/80/47/86/1132804786.db2.gz XGOVCZCYXRTVAE-UHFFFAOYSA-N 1 2 330.359 3.609 20 5 EHBDLO COc1ccc(Nc2ccc[nH+]c2N2CCCCC2)cc1[N+](=O)[O-] ZINC001176360688 1132920401 /nfs/dbraw/zinc/92/04/01/1132920401.db2.gz VASMVLXMFYBHKC-UHFFFAOYSA-N 1 2 328.372 3.732 20 5 EHBDLO O=[N+]([O-])c1cc(Cl)c(N2CC[NH+](C3CCC3)CC2)c(Cl)c1 ZINC000772065373 1133639957 /nfs/dbraw/zinc/63/99/57/1133639957.db2.gz DHDMHXOAPHDTRA-UHFFFAOYSA-N 1 2 330.215 3.576 20 5 EHBDLO CC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000786804639 1133908397 /nfs/dbraw/zinc/90/83/97/1133908397.db2.gz JXBHSURFHGVAEF-UHFFFAOYSA-N 1 2 336.351 3.595 20 5 EHBDLO O=[N+]([O-])c1cc2ccccc2nc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000788838614 1134179885 /nfs/dbraw/zinc/17/98/85/1134179885.db2.gz XEBUGXRNLYVAHY-UHFFFAOYSA-N 1 2 345.362 3.941 20 5 EHBDLO C[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809944785 1135903265 /nfs/dbraw/zinc/90/32/65/1135903265.db2.gz VLUZWQRGSOESPR-RNCFNFMXSA-N 1 2 333.215 3.637 20 5 EHBDLO C[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809944785 1135903269 /nfs/dbraw/zinc/90/32/69/1135903269.db2.gz VLUZWQRGSOESPR-RNCFNFMXSA-N 1 2 333.215 3.637 20 5 EHBDLO C[C@H](O)[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809944786 1135903424 /nfs/dbraw/zinc/90/34/24/1135903424.db2.gz VLUZWQRGSOESPR-TVQRCGJNSA-N 1 2 333.215 3.637 20 5 EHBDLO C[C@H](O)[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809944786 1135903428 /nfs/dbraw/zinc/90/34/28/1135903428.db2.gz VLUZWQRGSOESPR-TVQRCGJNSA-N 1 2 333.215 3.637 20 5 EHBDLO O=[N+]([O-])c1ccc(Cl)c(CNc2ccc(N3CCCC3)c[nH+]2)c1 ZINC000776036212 1135938375 /nfs/dbraw/zinc/93/83/75/1135938375.db2.gz CZTNLRKGEUILLQ-UHFFFAOYSA-N 1 2 332.791 3.856 20 5 EHBDLO NC(Cc1ccccc1Cl)=[NH+]OCc1ccc([N+](=O)[O-])cc1F ZINC000747827005 1136269458 /nfs/dbraw/zinc/26/94/58/1136269458.db2.gz YVDNDQYVMDWSDJ-UHFFFAOYSA-N 1 2 337.738 3.628 20 5 EHBDLO CCn1cc(C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C(C)C)cn1 ZINC000844418027 1137219071 /nfs/dbraw/zinc/21/90/71/1137219071.db2.gz PVLJFSRMDIHEQY-UHFFFAOYSA-N 1 2 336.823 3.875 20 5 EHBDLO CCn1cc(C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C(C)C)cn1 ZINC000844418027 1137219073 /nfs/dbraw/zinc/21/90/73/1137219073.db2.gz PVLJFSRMDIHEQY-UHFFFAOYSA-N 1 2 336.823 3.875 20 5 EHBDLO C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000865613253 1137298765 /nfs/dbraw/zinc/29/87/65/1137298765.db2.gz VVJFQNDBYNCBLM-ABAIWWIYSA-N 1 2 336.342 3.816 20 5 EHBDLO C[C@@H](NC[C@@H](c1ccco1)[NH+]1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872017252 1137564822 /nfs/dbraw/zinc/56/48/22/1137564822.db2.gz XROCXGTWDHKWFH-CJNGLKHVSA-N 1 2 347.390 3.815 20 5 EHBDLO C[C@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872070601 1137569671 /nfs/dbraw/zinc/56/96/71/1137569671.db2.gz UZFCLULUBSVKFN-VIFPVBQESA-N 1 2 341.289 3.581 20 5 EHBDLO C[C@@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872089329 1137570704 /nfs/dbraw/zinc/57/07/04/1137570704.db2.gz XAUKWRRHEHLVDH-LLVKDONJSA-N 1 2 332.379 3.586 20 5 EHBDLO C[C@@H]([NH2+]Cc1noc2c1CC(C)(C)CC2)c1cccc([N+](=O)[O-])c1 ZINC000878356814 1137712428 /nfs/dbraw/zinc/71/24/28/1137712428.db2.gz ZMKKDKVXDMBXDX-GFCCVEGCSA-N 1 2 329.400 3.949 20 5 EHBDLO CC1(C)C[C@@H]([NH2+]C2(c3ncccn3)CCC2)c2cc([N+](=O)[O-])ccc21 ZINC000883312081 1137854201 /nfs/dbraw/zinc/85/42/01/1137854201.db2.gz SSHAJKSCFQMYPZ-MRXNPFEDSA-N 1 2 338.411 3.776 20 5 EHBDLO Cc1c(C[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000337372049 1138548249 /nfs/dbraw/zinc/54/82/49/1138548249.db2.gz WWWLTEGAIDFTFB-UHFFFAOYSA-N 1 2 348.406 3.647 20 5 EHBDLO Cc1c(C[N@H+]2CCc3c(cnn3-c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000337372049 1138548252 /nfs/dbraw/zinc/54/82/52/1138548252.db2.gz WWWLTEGAIDFTFB-UHFFFAOYSA-N 1 2 348.406 3.647 20 5 EHBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000267451713 1140793285 /nfs/dbraw/zinc/79/32/85/1140793285.db2.gz ROTYTYAIVJZMGG-ZAMGYDSWSA-N 1 2 332.425 3.525 20 5 EHBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000267451713 1140793291 /nfs/dbraw/zinc/79/32/91/1140793291.db2.gz ROTYTYAIVJZMGG-ZAMGYDSWSA-N 1 2 332.425 3.525 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000339125830 1141504015 /nfs/dbraw/zinc/50/40/15/1141504015.db2.gz YEZBELUWKXEAKN-WBVHZDCISA-N 1 2 348.786 3.574 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000339125828 1141504183 /nfs/dbraw/zinc/50/41/83/1141504183.db2.gz YEZBELUWKXEAKN-NVXWUHKLSA-N 1 2 348.786 3.574 20 5 EHBDLO COCCCC[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000339140639 1141507600 /nfs/dbraw/zinc/50/76/00/1141507600.db2.gz NNJUXBZHRDDIAV-GOSISDBHSA-N 1 2 344.411 3.948 20 5 EHBDLO COCCCC[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000339140643 1141508160 /nfs/dbraw/zinc/50/81/60/1141508160.db2.gz NNJUXBZHRDDIAV-SFHVURJKSA-N 1 2 344.411 3.948 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](c1nc(C)cs1)C1CC1 ZINC000430223240 1015100325 /nfs/dbraw/zinc/10/03/25/1015100325.db2.gz UQGYMVUKADEEGH-HNNXBMFYSA-N 1 2 333.413 3.609 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000782981220 1016977545 /nfs/dbraw/zinc/97/75/45/1016977545.db2.gz ZLXORFVLBBQNLG-UHFFFAOYSA-N 1 2 328.416 3.797 20 5 EHBDLO CCOc1cccc(NCc2ccc(-n3cc[nH+]c3)cc2)c1[N+](=O)[O-] ZINC000302080769 1017637804 /nfs/dbraw/zinc/63/78/04/1017637804.db2.gz BUDQBUZBHVHAEB-UHFFFAOYSA-N 1 2 338.367 3.791 20 5 EHBDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000340436534 1017791271 /nfs/dbraw/zinc/79/12/71/1017791271.db2.gz RITQYMUOWCMJMG-MNOVXSKESA-N 1 2 349.337 3.551 20 5 EHBDLO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cn(-c2ccccc2)nn1 ZINC000178068532 1021108405 /nfs/dbraw/zinc/10/84/05/1021108405.db2.gz MUNOUYMIAUVZSJ-UONOGXRCSA-N 1 2 337.383 3.587 20 5 EHBDLO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cn(-c2ccccc2)nn1 ZINC000178068504 1021109167 /nfs/dbraw/zinc/10/91/67/1021109167.db2.gz MUNOUYMIAUVZSJ-KBPBESRZSA-N 1 2 337.383 3.587 20 5 EHBDLO Cc1ccncc1C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602637565 1033046171 /nfs/dbraw/zinc/04/61/71/1033046171.db2.gz FPGGNUQRZYAKAP-UHFFFAOYSA-N 1 2 339.317 3.949 20 5 EHBDLO Cc1ccncc1C[N@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602637565 1033046184 /nfs/dbraw/zinc/04/61/84/1033046184.db2.gz FPGGNUQRZYAKAP-UHFFFAOYSA-N 1 2 339.317 3.949 20 5 EHBDLO Cc1cccc(OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1C ZINC000891763550 1022588201 /nfs/dbraw/zinc/58/82/01/1022588201.db2.gz WMGIMSJKZVOKGF-UHFFFAOYSA-N 1 2 337.335 3.617 20 5 EHBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000507765565 1023240797 /nfs/dbraw/zinc/24/07/97/1023240797.db2.gz FOPHYOYSQKWHMS-HNNXBMFYSA-N 1 2 344.342 3.800 20 5 EHBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000507765565 1023240800 /nfs/dbraw/zinc/24/08/00/1023240800.db2.gz FOPHYOYSQKWHMS-HNNXBMFYSA-N 1 2 344.342 3.800 20 5 EHBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@@H](C(F)(F)F)C3)co2)cc1 ZINC000761043843 1033153184 /nfs/dbraw/zinc/15/31/84/1033153184.db2.gz XJSHFPHPYVFBNT-LLVKDONJSA-N 1 2 341.289 3.634 20 5 EHBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@@H](C(F)(F)F)C3)co2)cc1 ZINC000761043843 1033153193 /nfs/dbraw/zinc/15/31/93/1033153193.db2.gz XJSHFPHPYVFBNT-LLVKDONJSA-N 1 2 341.289 3.634 20 5 EHBDLO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602769795 1033166717 /nfs/dbraw/zinc/16/67/17/1033166717.db2.gz RCWKGGJQVOZGNX-JTQLQIEISA-N 1 2 342.321 3.540 20 5 EHBDLO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602769795 1033166725 /nfs/dbraw/zinc/16/67/25/1033166725.db2.gz RCWKGGJQVOZGNX-JTQLQIEISA-N 1 2 342.321 3.540 20 5 EHBDLO C[C@@H](Nc1[nH+]cnc2c1cnn2C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000895668047 1024714625 /nfs/dbraw/zinc/71/46/25/1024714625.db2.gz WQULUOAGQJDYRV-LLVKDONJSA-N 1 2 340.387 3.663 20 5 EHBDLO CC[N@H+](Cc1ccccn1)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000119857537 1025339261 /nfs/dbraw/zinc/33/92/61/1025339261.db2.gz RPYDNFPVIXKCHC-UHFFFAOYSA-N 1 2 329.400 3.799 20 5 EHBDLO CC[N@@H+](Cc1ccccn1)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000119857537 1025339271 /nfs/dbraw/zinc/33/92/71/1025339271.db2.gz RPYDNFPVIXKCHC-UHFFFAOYSA-N 1 2 329.400 3.799 20 5 EHBDLO Cc1c(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000051688929 1026295213 /nfs/dbraw/zinc/29/52/13/1026295213.db2.gz WVRDZGWLVKACNA-GOSISDBHSA-N 1 2 330.359 3.616 20 5 EHBDLO Cc1c(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000051688929 1026295219 /nfs/dbraw/zinc/29/52/19/1026295219.db2.gz WVRDZGWLVKACNA-GOSISDBHSA-N 1 2 330.359 3.616 20 5 EHBDLO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000612461672 1028121830 /nfs/dbraw/zinc/12/18/30/1028121830.db2.gz MQMGNHHCXFAQAN-SNVBAGLBSA-N 1 2 342.355 3.705 20 5 EHBDLO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])[nH]1 ZINC000573137237 1028546873 /nfs/dbraw/zinc/54/68/73/1028546873.db2.gz HZTJYGDWFVLOLV-MISXGVKJSA-N 1 2 329.404 3.565 20 5 EHBDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000532125221 1030420797 /nfs/dbraw/zinc/42/07/97/1030420797.db2.gz OVZDDXHNNIXVIV-GFCCVEGCSA-N 1 2 340.445 3.600 20 5 EHBDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000532125221 1030420805 /nfs/dbraw/zinc/42/08/05/1030420805.db2.gz OVZDDXHNNIXVIV-GFCCVEGCSA-N 1 2 340.445 3.600 20 5 EHBDLO CCOc1cc(C[NH2+][C@H](CF)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000603018813 1033310983 /nfs/dbraw/zinc/31/09/83/1033310983.db2.gz MCXJZIFUJYAXAX-OAHLLOKOSA-N 1 2 336.338 3.933 20 5 EHBDLO C[C@@H](O)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1F ZINC000593659605 1033635040 /nfs/dbraw/zinc/63/50/40/1033635040.db2.gz WMRBCVVRMWAROS-HWPZZCPQSA-N 1 2 338.766 3.599 20 5 EHBDLO COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595418125 1033792236 /nfs/dbraw/zinc/79/22/36/1033792236.db2.gz CIEGUAHLBSWGHG-AWEZNQCLSA-N 1 2 333.388 3.777 20 5 EHBDLO Cn1ccnc1[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000580844564 1035459069 /nfs/dbraw/zinc/45/90/69/1035459069.db2.gz QNPJRONRJCKDQF-IEBWSBKVSA-N 1 2 348.406 3.695 20 5 EHBDLO CCOc1ccc(C[N@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])cc1 ZINC000463481581 1035549181 /nfs/dbraw/zinc/54/91/81/1035549181.db2.gz FEZDCAMUVVRNNM-UHFFFAOYSA-N 1 2 348.374 3.773 20 5 EHBDLO CCOc1ccc(C[N@@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])cc1 ZINC000463481581 1035549191 /nfs/dbraw/zinc/54/91/91/1035549191.db2.gz FEZDCAMUVVRNNM-UHFFFAOYSA-N 1 2 348.374 3.773 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000492686217 1036174147 /nfs/dbraw/zinc/17/41/47/1036174147.db2.gz XZEBAKADFNODIR-OLZOCXBDSA-N 1 2 345.365 3.533 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000492686217 1036174159 /nfs/dbraw/zinc/17/41/59/1036174159.db2.gz XZEBAKADFNODIR-OLZOCXBDSA-N 1 2 345.365 3.533 20 5 EHBDLO Cc1c(C[N@H+]2C[C@H](C)OC[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000464852590 1036903527 /nfs/dbraw/zinc/90/35/27/1036903527.db2.gz QVCJHJVBQJXLTB-LIRRHRJNSA-N 1 2 326.396 3.865 20 5 EHBDLO Cc1c(C[N@@H+]2C[C@H](C)OC[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000464852590 1036903539 /nfs/dbraw/zinc/90/35/39/1036903539.db2.gz QVCJHJVBQJXLTB-LIRRHRJNSA-N 1 2 326.396 3.865 20 5 EHBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000539594485 1036964854 /nfs/dbraw/zinc/96/48/54/1036964854.db2.gz UCLPICCOHSZJNU-SMTIMMHKSA-N 1 2 338.407 3.552 20 5 EHBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000539594485 1036964863 /nfs/dbraw/zinc/96/48/63/1036964863.db2.gz UCLPICCOHSZJNU-SMTIMMHKSA-N 1 2 338.407 3.552 20 5 EHBDLO CN(CCCn1cc[nH+]c1)C(=O)c1cc2ccccc2c2cccnc12 ZINC000178090020 1036994948 /nfs/dbraw/zinc/99/49/48/1036994948.db2.gz UINDMNABLBOOIF-UHFFFAOYSA-N 1 2 344.418 3.747 20 5 EHBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H](CCO)c1ccccc1F ZINC000592159747 1037899974 /nfs/dbraw/zinc/89/99/74/1037899974.db2.gz FKDNCFISZWLVPW-OAHLLOKOSA-N 1 2 338.766 3.601 20 5 EHBDLO Cc1cc(N2CCC(CCCn3cc[nH+]c3)CC2)c(F)cc1[N+](=O)[O-] ZINC000461956266 1038694269 /nfs/dbraw/zinc/69/42/69/1038694269.db2.gz JZBCNMRUAFSHMD-UHFFFAOYSA-N 1 2 346.406 3.936 20 5 EHBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1(c2nc(C)cs2)CCCC1 ZINC000175018854 1039014317 /nfs/dbraw/zinc/01/43/17/1039014317.db2.gz WQTHBSVXGLQVOI-UHFFFAOYSA-N 1 2 347.440 3.927 20 5 EHBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000015377410 1039301944 /nfs/dbraw/zinc/30/19/44/1039301944.db2.gz YGJSJRAYGULSIU-AWEZNQCLSA-N 1 2 329.375 3.617 20 5 EHBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(F)c1 ZINC000029584400 1040732955 /nfs/dbraw/zinc/73/29/55/1040732955.db2.gz MMHLUQMNVKLCHC-UHFFFAOYSA-N 1 2 349.793 3.710 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c(Cl)c1 ZINC000571211711 1041253224 /nfs/dbraw/zinc/25/32/24/1041253224.db2.gz LOYNSERWAVLEOK-CVEARBPZSA-N 1 2 336.819 3.782 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c(Cl)c1 ZINC000571211711 1041253239 /nfs/dbraw/zinc/25/32/39/1041253239.db2.gz LOYNSERWAVLEOK-CVEARBPZSA-N 1 2 336.819 3.782 20 5 EHBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1CCC3(CCCCC3)O1)CCO2 ZINC000571368350 1041295364 /nfs/dbraw/zinc/29/53/64/1041295364.db2.gz SDXVEXBQKNCHKH-QGZVFWFLSA-N 1 2 346.427 3.671 20 5 EHBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1CCC3(CCCCC3)O1)CCO2 ZINC000571368350 1041295378 /nfs/dbraw/zinc/29/53/78/1041295378.db2.gz SDXVEXBQKNCHKH-QGZVFWFLSA-N 1 2 346.427 3.671 20 5 EHBDLO O=[N+]([O-])c1ccc(NCc2cc[nH+]c(N3CCCC3)c2)c2ccncc21 ZINC000073666889 1128751581 /nfs/dbraw/zinc/75/15/81/1128751581.db2.gz ZFCDWUPJLPVEFK-UHFFFAOYSA-N 1 2 349.394 3.750 20 5 EHBDLO Cn1ccnc1[C@H]([NH2+]C/C=C\c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000556885646 1123166047 /nfs/dbraw/zinc/16/60/47/1123166047.db2.gz QHRCKSSRBCHOQD-WMHRWZGDSA-N 1 2 348.406 3.721 20 5 EHBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H]3c3ccc(O)cc3)nc2c1 ZINC000618285848 1125037257 /nfs/dbraw/zinc/03/72/57/1125037257.db2.gz PQMUKPGOPYUTRU-QGZVFWFLSA-N 1 2 338.367 3.514 20 5 EHBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H]3c3ccc(O)cc3)nc2c1 ZINC000618285848 1125037264 /nfs/dbraw/zinc/03/72/64/1125037264.db2.gz PQMUKPGOPYUTRU-QGZVFWFLSA-N 1 2 338.367 3.514 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)cs1 ZINC000079503415 1129270105 /nfs/dbraw/zinc/27/01/05/1129270105.db2.gz PLUFXRUHHWXNQL-KRWDZBQOSA-N 1 2 346.452 3.880 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)cs1 ZINC000079503415 1129270108 /nfs/dbraw/zinc/27/01/08/1129270108.db2.gz PLUFXRUHHWXNQL-KRWDZBQOSA-N 1 2 346.452 3.880 20 5 EHBDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000301990679 1129505588 /nfs/dbraw/zinc/50/55/88/1129505588.db2.gz FSUPVMWTSDHOPC-LBPRGKRZSA-N 1 2 335.404 3.679 20 5 EHBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1c2ccccc2OC[C@@H]1F ZINC000922521454 1129560846 /nfs/dbraw/zinc/56/08/46/1129560846.db2.gz JWKKYPMOGUUHFB-MAUKXSAKSA-N 1 2 330.359 3.773 20 5 EHBDLO COCc1cc([N+](=O)[O-])ccc1NCc1ccccc1-n1cc[nH+]c1 ZINC000302676536 1129785370 /nfs/dbraw/zinc/78/53/70/1129785370.db2.gz QCNPCGAWFFFQGK-UHFFFAOYSA-N 1 2 338.367 3.539 20 5 EHBDLO CCS[C@@H](C)c1noc(-c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000351090634 1129799202 /nfs/dbraw/zinc/79/92/02/1129799202.db2.gz MBSLJOSOLVFFLA-JTQLQIEISA-N 1 2 345.384 3.645 20 5 EHBDLO C[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])c1nccs1 ZINC000162184338 1129811429 /nfs/dbraw/zinc/81/14/29/1129811429.db2.gz NTJDGFHHRVFYKC-QMMMGPOBSA-N 1 2 342.218 3.665 20 5 EHBDLO NS(=O)(=O)c1cccc(Nc2ccc3[nH+]c4ccccc4cc3c2)c1 ZINC001174243599 1132296655 /nfs/dbraw/zinc/29/66/55/1132296655.db2.gz FIUINFIDBBLUKB-UHFFFAOYSA-N 1 2 349.415 3.779 20 5 EHBDLO CCCCC[C@@H]1CCC[N@@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000767760848 1133049133 /nfs/dbraw/zinc/04/91/33/1133049133.db2.gz GRVXQYAGFFEPFZ-LLVKDONJSA-N 1 2 345.241 3.556 20 5 EHBDLO CCCCC[C@@H]1CCC[N@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000767760848 1133049139 /nfs/dbraw/zinc/04/91/39/1133049139.db2.gz GRVXQYAGFFEPFZ-LLVKDONJSA-N 1 2 345.241 3.556 20 5 EHBDLO NC(Cc1cccs1)=[NH+]OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768516457 1133154606 /nfs/dbraw/zinc/15/46/06/1133154606.db2.gz COHKMEVWOWGTBZ-UHFFFAOYSA-N 1 2 325.777 3.551 20 5 EHBDLO C[C@H]1C[NH+](Cc2c(Br)cccc2[N+](=O)[O-])C[C@H](C)S1 ZINC000769140160 1133231265 /nfs/dbraw/zinc/23/12/65/1133231265.db2.gz CTJIMUDJFWRKRI-UWVGGRQHSA-N 1 2 345.262 3.683 20 5 EHBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2cc(F)ncc2F)cc(C(F)(F)F)c1 ZINC001181419274 1133484872 /nfs/dbraw/zinc/48/48/72/1133484872.db2.gz YEFWNHLZYGMKLK-UHFFFAOYSA-N 1 2 347.243 3.577 20 5 EHBDLO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000788464508 1134127819 /nfs/dbraw/zinc/12/78/19/1134127819.db2.gz ROCGEFVPRHVZEL-UHFFFAOYSA-N 1 2 334.759 3.609 20 5 EHBDLO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000788464508 1134127821 /nfs/dbraw/zinc/12/78/21/1134127821.db2.gz ROCGEFVPRHVZEL-UHFFFAOYSA-N 1 2 334.759 3.609 20 5 EHBDLO CCc1[nH]c(CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)c[nH+]1 ZINC001187739583 1134378541 /nfs/dbraw/zinc/37/85/41/1134378541.db2.gz ASMVOJSKDNSZPU-UHFFFAOYSA-N 1 2 341.346 3.694 20 5 EHBDLO CCc1[nH]cc(CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)[nH+]1 ZINC001187739583 1134378544 /nfs/dbraw/zinc/37/85/44/1134378544.db2.gz ASMVOJSKDNSZPU-UHFFFAOYSA-N 1 2 341.346 3.694 20 5 EHBDLO CCC1(O)CC[NH+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000809949270 1135905520 /nfs/dbraw/zinc/90/55/20/1135905520.db2.gz HCNLKWFNJHCLRV-UHFFFAOYSA-N 1 2 333.215 3.639 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)cs1 ZINC000858014486 1136931625 /nfs/dbraw/zinc/93/16/25/1136931625.db2.gz MKCVTVLJHCQNQS-OAHLLOKOSA-N 1 2 345.424 3.582 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)cs1 ZINC000858014486 1136931626 /nfs/dbraw/zinc/93/16/26/1136931626.db2.gz MKCVTVLJHCQNQS-OAHLLOKOSA-N 1 2 345.424 3.582 20 5 EHBDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(N2CCCC2)c1 ZINC000339076709 1137383437 /nfs/dbraw/zinc/38/34/37/1137383437.db2.gz BDKCMUKXBCRSGC-CQSZACIVSA-N 1 2 341.411 3.751 20 5 EHBDLO COc1ccc(OC)c(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872018700 1137564863 /nfs/dbraw/zinc/56/48/63/1137564863.db2.gz ORAKQEKYEBDNSZ-LLVKDONJSA-N 1 2 334.347 3.602 20 5 EHBDLO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccn(C(C)C)n1 ZINC000872038023 1137566921 /nfs/dbraw/zinc/56/69/21/1137566921.db2.gz JVVXHBAMKIVNQE-GFCCVEGCSA-N 1 2 334.445 3.945 20 5 EHBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1nc(C)c2ccccc2n1 ZINC000873036509 1137588638 /nfs/dbraw/zinc/58/86/38/1137588638.db2.gz XXQJOQYBWZBXFW-UHFFFAOYSA-N 1 2 336.395 3.753 20 5 EHBDLO CO[C@@H](C)c1nc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)cs1 ZINC000873074978 1137589511 /nfs/dbraw/zinc/58/95/11/1137589511.db2.gz RMPURWIICKASRG-LBPRGKRZSA-N 1 2 335.429 3.665 20 5 EHBDLO CC(C)c1[nH+]c2c(n1C)CCN([C@@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC000332616926 1137949223 /nfs/dbraw/zinc/94/92/23/1137949223.db2.gz VWJAKYCGVLFJRQ-ZDUSSCGKSA-N 1 2 328.416 3.571 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000338196231 1138783448 /nfs/dbraw/zinc/78/34/48/1138783448.db2.gz NOKBSUOHIPIUID-KDOFPFPSSA-N 1 2 342.395 3.558 20 5 EHBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cccc(Cl)n3)CC2)cc1 ZINC000174245174 1139408613 /nfs/dbraw/zinc/40/86/13/1139408613.db2.gz DCYPVZFJMKGYFV-UHFFFAOYSA-N 1 2 347.802 3.687 20 5 EHBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H](C(F)(F)F)C3)nc2c1 ZINC000176985533 1139591736 /nfs/dbraw/zinc/59/17/36/1139591736.db2.gz QTUBVZFWUAAVOS-VIFPVBQESA-N 1 2 329.278 3.510 20 5 EHBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H](C(F)(F)F)C3)nc2c1 ZINC000176985533 1139591738 /nfs/dbraw/zinc/59/17/38/1139591738.db2.gz QTUBVZFWUAAVOS-VIFPVBQESA-N 1 2 329.278 3.510 20 5 EHBDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000180523681 1139841411 /nfs/dbraw/zinc/84/14/11/1139841411.db2.gz WGDARQQSHWNTGF-OAHLLOKOSA-N 1 2 334.807 3.925 20 5 EHBDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000180523681 1139841422 /nfs/dbraw/zinc/84/14/22/1139841422.db2.gz WGDARQQSHWNTGF-OAHLLOKOSA-N 1 2 334.807 3.925 20 5 EHBDLO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2nnc(C)s2)cc1[N+](=O)[O-] ZINC000274274164 1141492134 /nfs/dbraw/zinc/49/21/34/1141492134.db2.gz XFIKCPJFZLZEIW-ZJUUUORDSA-N 1 2 336.417 3.565 20 5 EHBDLO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339114373 1141501327 /nfs/dbraw/zinc/50/13/27/1141501327.db2.gz UGQIZSIWUUGMAK-UHFFFAOYSA-N 1 2 325.368 3.804 20 5 EHBDLO CC[N@@H+](Cc1c[nH]c2ccccc12)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339114373 1141501330 /nfs/dbraw/zinc/50/13/30/1141501330.db2.gz UGQIZSIWUUGMAK-UHFFFAOYSA-N 1 2 325.368 3.804 20 5 EHBDLO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000097213977 218997337 /nfs/dbraw/zinc/99/73/37/218997337.db2.gz HGAZXNWDIMQRKG-UHFFFAOYSA-N 1 2 331.397 3.889 20 5 EHBDLO C[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(O)c1 ZINC000181560261 1016929523 /nfs/dbraw/zinc/92/95/23/1016929523.db2.gz JXAVAAHCPRHHSW-GFCCVEGCSA-N 1 2 339.351 3.806 20 5 EHBDLO CSc1cccc([C@H]([NH2+]CC[N+](=O)[O-])c2ccc(F)c(F)c2)c1 ZINC000905134033 1032359379 /nfs/dbraw/zinc/35/93/79/1032359379.db2.gz IOMIFDDVOGSEIX-INIZCTEOSA-N 1 2 338.379 3.642 20 5 EHBDLO Cc1ncc([C@@H](C)[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c(C)n1 ZINC000602440186 1032888237 /nfs/dbraw/zinc/88/82/37/1032888237.db2.gz OJDBMJCSIGUABO-CYBMUJFWSA-N 1 2 326.400 3.727 20 5 EHBDLO Cc1ncc([C@@H](C)[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c(C)n1 ZINC000602440186 1032888255 /nfs/dbraw/zinc/88/82/55/1032888255.db2.gz OJDBMJCSIGUABO-CYBMUJFWSA-N 1 2 326.400 3.727 20 5 EHBDLO CC(C)Cn1nccc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000592497728 1032949850 /nfs/dbraw/zinc/94/98/50/1032949850.db2.gz ACKXLHDQDSXLEX-UHFFFAOYSA-N 1 2 328.416 3.612 20 5 EHBDLO CC(C)Cn1nccc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000592497728 1032949860 /nfs/dbraw/zinc/94/98/60/1032949860.db2.gz ACKXLHDQDSXLEX-UHFFFAOYSA-N 1 2 328.416 3.612 20 5 EHBDLO C[C@@]1([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)CCOc2ccccc21 ZINC000933371915 1021499894 /nfs/dbraw/zinc/49/98/94/1021499894.db2.gz STIZTBBSFFVXTR-QGZVFWFLSA-N 1 2 334.322 3.661 20 5 EHBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1c[nH]nc1-c1ccsc1)CC2 ZINC000438121106 1022419426 /nfs/dbraw/zinc/41/94/26/1022419426.db2.gz XNUVMUZMUCZXEK-UHFFFAOYSA-N 1 2 340.408 3.605 20 5 EHBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1c[nH]nc1-c1ccsc1)CC2 ZINC000438121106 1022419430 /nfs/dbraw/zinc/41/94/30/1022419430.db2.gz XNUVMUZMUCZXEK-UHFFFAOYSA-N 1 2 340.408 3.605 20 5 EHBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCc3ncsc3C2)o1 ZINC000438346882 1022584881 /nfs/dbraw/zinc/58/48/81/1022584881.db2.gz FCEZYYFDRFDGRX-UHFFFAOYSA-N 1 2 341.392 3.870 20 5 EHBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCc3ncsc3C2)o1 ZINC000438346882 1022584891 /nfs/dbraw/zinc/58/48/91/1022584891.db2.gz FCEZYYFDRFDGRX-UHFFFAOYSA-N 1 2 341.392 3.870 20 5 EHBDLO Cc1cc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c(C)c[nH+]1 ZINC000535747914 1023604617 /nfs/dbraw/zinc/60/46/17/1023604617.db2.gz TYWMFKLXGUZBIA-UHFFFAOYSA-N 1 2 327.384 3.578 20 5 EHBDLO O=[N+]([O-])c1ccc2ccnc(N3CCC(Nc4cccc[nH+]4)CC3)c2c1 ZINC000895351767 1024365879 /nfs/dbraw/zinc/36/58/79/1024365879.db2.gz ZXAPTXXSIHBKRB-UHFFFAOYSA-N 1 2 349.394 3.619 20 5 EHBDLO CC(C)Oc1cccc([C@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000515389554 1025200946 /nfs/dbraw/zinc/20/09/46/1025200946.db2.gz IDRVFDSIHXNVBD-ZDUSSCGKSA-N 1 2 330.384 3.938 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000546398336 1025291656 /nfs/dbraw/zinc/29/16/56/1025291656.db2.gz BYEXSHLSGNXITO-UHFFFAOYSA-N 1 2 347.334 3.806 20 5 EHBDLO Cc1cccc(NC(=O)C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2C)c1C ZINC000051537023 1025668523 /nfs/dbraw/zinc/66/85/23/1025668523.db2.gz ZMAMQMYJSMGWGB-UHFFFAOYSA-N 1 2 341.411 3.591 20 5 EHBDLO Cc1cccc(NC(=O)C[N@H+](C)Cc2cccc([N+](=O)[O-])c2C)c1C ZINC000051537023 1025668535 /nfs/dbraw/zinc/66/85/35/1025668535.db2.gz ZMAMQMYJSMGWGB-UHFFFAOYSA-N 1 2 341.411 3.591 20 5 EHBDLO Cc1cc(CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc(C)[nH+]1 ZINC000421059975 1028041456 /nfs/dbraw/zinc/04/14/56/1028041456.db2.gz CVCZKVJIDARUAC-UHFFFAOYSA-N 1 2 328.372 3.545 20 5 EHBDLO CC[C@@H]1Cc2ccccc2C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444681947 1028151654 /nfs/dbraw/zinc/15/16/54/1028151654.db2.gz XVGBKLBVLKPBKF-OAHLLOKOSA-N 1 2 336.395 3.808 20 5 EHBDLO CC[C@@H]1Cc2ccccc2C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444681947 1028151663 /nfs/dbraw/zinc/15/16/63/1028151663.db2.gz XVGBKLBVLKPBKF-OAHLLOKOSA-N 1 2 336.395 3.808 20 5 EHBDLO Cc1cc(F)ccc1C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444689383 1028163621 /nfs/dbraw/zinc/16/36/21/1028163621.db2.gz FPUWGDZJFBIKGS-UHFFFAOYSA-N 1 2 328.347 3.551 20 5 EHBDLO Cc1cc(F)ccc1C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444689383 1028163633 /nfs/dbraw/zinc/16/36/33/1028163633.db2.gz FPUWGDZJFBIKGS-UHFFFAOYSA-N 1 2 328.347 3.551 20 5 EHBDLO Cc1cc(C[N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)ccc1F ZINC000444743122 1028225260 /nfs/dbraw/zinc/22/52/60/1028225260.db2.gz HNPNJWGMNQANOA-UHFFFAOYSA-N 1 2 346.358 3.541 20 5 EHBDLO Cc1cc(C[N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)ccc1F ZINC000444743122 1028225279 /nfs/dbraw/zinc/22/52/79/1028225279.db2.gz HNPNJWGMNQANOA-UHFFFAOYSA-N 1 2 346.358 3.541 20 5 EHBDLO CCOc1cc(NCc2ccccc2-n2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000091506250 1028274892 /nfs/dbraw/zinc/27/48/92/1028274892.db2.gz CDWPVZMGKQQBJK-UHFFFAOYSA-N 1 2 338.367 3.791 20 5 EHBDLO O=[N+]([O-])c1cc(F)c(NCc2cccc(-n3cc[nH+]c3)c2)c(F)c1 ZINC000440592286 1028397509 /nfs/dbraw/zinc/39/75/09/1028397509.db2.gz VLCCUEHDPQNWIW-UHFFFAOYSA-N 1 2 330.294 3.671 20 5 EHBDLO CC(C)[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350821 1028488775 /nfs/dbraw/zinc/48/87/75/1028488775.db2.gz PKLKLRGTLZGMLD-UHFFFAOYSA-N 1 2 335.385 3.975 20 5 EHBDLO CC(C)[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350821 1028488785 /nfs/dbraw/zinc/48/87/85/1028488785.db2.gz PKLKLRGTLZGMLD-UHFFFAOYSA-N 1 2 335.385 3.975 20 5 EHBDLO COCC[N@H+](Cc1cncs1)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000448359232 1030982554 /nfs/dbraw/zinc/98/25/54/1030982554.db2.gz KYDJGISSILEHMH-UHFFFAOYSA-N 1 2 349.456 3.823 20 5 EHBDLO COCC[N@@H+](Cc1cncs1)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000448359232 1030982568 /nfs/dbraw/zinc/98/25/68/1030982568.db2.gz KYDJGISSILEHMH-UHFFFAOYSA-N 1 2 349.456 3.823 20 5 EHBDLO O=C(NCCNc1cccc[nH+]1)c1cc2ccccc2c2cccnc12 ZINC000063705031 1033618752 /nfs/dbraw/zinc/61/87/52/1033618752.db2.gz GMGHSMBSOJJPSL-UHFFFAOYSA-N 1 2 342.402 3.625 20 5 EHBDLO CC(C)[N@H+](Cc1cc2n(n1)CCCC2)Cc1ccc([N+](=O)[O-])cc1 ZINC000592998479 1033789841 /nfs/dbraw/zinc/78/98/41/1033789841.db2.gz AYRDVMCWFNVLEF-UHFFFAOYSA-N 1 2 328.416 3.538 20 5 EHBDLO CC(C)[N@@H+](Cc1cc2n(n1)CCCC2)Cc1ccc([N+](=O)[O-])cc1 ZINC000592998479 1033789849 /nfs/dbraw/zinc/78/98/49/1033789849.db2.gz AYRDVMCWFNVLEF-UHFFFAOYSA-N 1 2 328.416 3.538 20 5 EHBDLO Cc1noc(C[N@@H+](C)[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)c1[N+](=O)[O-] ZINC000595494437 1033831510 /nfs/dbraw/zinc/83/15/10/1033831510.db2.gz BMZWXAJAOBHNRM-JKSUJKDBSA-N 1 2 345.399 3.569 20 5 EHBDLO Cc1noc(C[N@H+](C)[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)c1[N+](=O)[O-] ZINC000595494437 1033831519 /nfs/dbraw/zinc/83/15/19/1033831519.db2.gz BMZWXAJAOBHNRM-JKSUJKDBSA-N 1 2 345.399 3.569 20 5 EHBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1cnc(-c3ccccc3)nc1)C2 ZINC000534514605 1034619081 /nfs/dbraw/zinc/61/90/81/1034619081.db2.gz HPNYZXUXVQYMKR-UHFFFAOYSA-N 1 2 346.390 3.610 20 5 EHBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1cnc(-c3ccccc3)nc1)C2 ZINC000534514605 1034619086 /nfs/dbraw/zinc/61/90/86/1034619086.db2.gz HPNYZXUXVQYMKR-UHFFFAOYSA-N 1 2 346.390 3.610 20 5 EHBDLO CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H](C)c1cccc(OC)c1 ZINC000581417141 1035489649 /nfs/dbraw/zinc/48/96/49/1035489649.db2.gz DFZBFGOPYYZOAU-CYBMUJFWSA-N 1 2 330.384 3.892 20 5 EHBDLO CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H](C)c1cccc(OC)c1 ZINC000581417141 1035489651 /nfs/dbraw/zinc/48/96/51/1035489651.db2.gz DFZBFGOPYYZOAU-CYBMUJFWSA-N 1 2 330.384 3.892 20 5 EHBDLO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000271728673 1037048173 /nfs/dbraw/zinc/04/81/73/1037048173.db2.gz YAIVKOVATWDYQW-LBPRGKRZSA-N 1 2 341.367 3.904 20 5 EHBDLO C[C@H](N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000552924224 1039621409 /nfs/dbraw/zinc/62/14/09/1039621409.db2.gz BEBYVFOQAHJUFA-FNHZYXHNSA-N 1 2 325.412 3.691 20 5 EHBDLO C[C@H](N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000552924224 1039621421 /nfs/dbraw/zinc/62/14/21/1039621421.db2.gz BEBYVFOQAHJUFA-FNHZYXHNSA-N 1 2 325.412 3.691 20 5 EHBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCCC(F)(F)CC2)c1 ZINC000600190307 1040799786 /nfs/dbraw/zinc/79/97/86/1040799786.db2.gz YWIIUBHXMBGEBE-UHFFFAOYSA-N 1 2 336.285 3.817 20 5 EHBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCCC(F)(F)CC2)c1 ZINC000600190307 1040799804 /nfs/dbraw/zinc/79/98/04/1040799804.db2.gz YWIIUBHXMBGEBE-UHFFFAOYSA-N 1 2 336.285 3.817 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000555685476 1041010372 /nfs/dbraw/zinc/01/03/72/1041010372.db2.gz CSGISAQXKAAVBT-MRXNPFEDSA-N 1 2 348.786 3.607 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000555685476 1041010390 /nfs/dbraw/zinc/01/03/90/1041010390.db2.gz CSGISAQXKAAVBT-MRXNPFEDSA-N 1 2 348.786 3.607 20 5 EHBDLO C[C@@H](C(=O)Nc1ccccc1-n1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000555722458 1041042742 /nfs/dbraw/zinc/04/27/42/1041042742.db2.gz XEEQKRTYBNRZJM-CYBMUJFWSA-N 1 2 336.351 3.523 20 5 EHBDLO COc1ccc(C[NH2+][C@@H](COCC(C)C)c2ccco2)cc1[N+](=O)[O-] ZINC000106468820 1041709227 /nfs/dbraw/zinc/70/92/27/1041709227.db2.gz GPUWFWWLPPEZPM-HNNXBMFYSA-N 1 2 348.399 3.700 20 5 EHBDLO CN(C)c1ccc([NH+]2CCC(Nc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000301417472 1127743058 /nfs/dbraw/zinc/74/30/58/1127743058.db2.gz AYSPVVLRULMIGL-UHFFFAOYSA-N 1 2 340.427 3.742 20 5 EHBDLO CCC1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000053376440 1120828294 /nfs/dbraw/zinc/82/82/94/1120828294.db2.gz CIFCNYXSBMNSGS-LLVKDONJSA-N 1 2 339.823 3.697 20 5 EHBDLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC000193968202 1121743540 /nfs/dbraw/zinc/74/35/40/1121743540.db2.gz WYRWVPAJAIRHFC-MRXNPFEDSA-N 1 2 342.355 3.544 20 5 EHBDLO Cc1cccc([C@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC000193968202 1121743546 /nfs/dbraw/zinc/74/35/46/1121743546.db2.gz WYRWVPAJAIRHFC-MRXNPFEDSA-N 1 2 342.355 3.544 20 5 EHBDLO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000069245497 1129435023 /nfs/dbraw/zinc/43/50/23/1129435023.db2.gz DFLRENYIRHAPAR-UHFFFAOYSA-N 1 2 341.411 3.591 20 5 EHBDLO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000069245497 1129435025 /nfs/dbraw/zinc/43/50/25/1129435025.db2.gz DFLRENYIRHAPAR-UHFFFAOYSA-N 1 2 341.411 3.591 20 5 EHBDLO O=[N+]([O-])/C=C/c1ccc(Nc2ccccc2C[NH+]2CCOCC2)cc1 ZINC001175902706 1132793799 /nfs/dbraw/zinc/79/37/99/1132793799.db2.gz UHZGCQDNBHSRBK-MDZDMXLPSA-N 1 2 339.395 3.510 20 5 EHBDLO Cc1cc(N2CC[NH+](C/C=C/c3ccccc3)CC2)c([N+](=O)[O-])s1 ZINC001185117385 1134038080 /nfs/dbraw/zinc/03/80/80/1134038080.db2.gz QCORQUUSFXCLSR-VMPITWQZSA-N 1 2 343.452 3.800 20 5 EHBDLO C[C@@H](Nc1nc2ccccc2n2c[nH+]cc12)c1ccc([N+](=O)[O-])cc1 ZINC001187574796 1134354270 /nfs/dbraw/zinc/35/42/70/1134354270.db2.gz BOJVEGIQIUXYCP-GFCCVEGCSA-N 1 2 333.351 3.964 20 5 EHBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000792877665 1134809711 /nfs/dbraw/zinc/80/97/11/1134809711.db2.gz VMHATUMJIMGJEF-VIFPVBQESA-N 1 2 337.282 3.632 20 5 EHBDLO C[C@]12CC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@H]1C2(Cl)Cl ZINC000792908810 1134820716 /nfs/dbraw/zinc/82/07/16/1134820716.db2.gz MQTPEFRSPPUGPW-OLZOCXBDSA-N 1 2 333.190 3.750 20 5 EHBDLO C[C@]12CC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@H]1C2(Cl)Cl ZINC000792908810 1134820724 /nfs/dbraw/zinc/82/07/24/1134820724.db2.gz MQTPEFRSPPUGPW-OLZOCXBDSA-N 1 2 333.190 3.750 20 5 EHBDLO C[N@@H+](Cc1c(F)cccc1Cl)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776272769 1136127317 /nfs/dbraw/zinc/12/73/17/1136127317.db2.gz VZVWAPKCZHKRNY-MRXNPFEDSA-N 1 2 338.766 3.553 20 5 EHBDLO C[N@H+](Cc1c(F)cccc1Cl)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776272769 1136127320 /nfs/dbraw/zinc/12/73/20/1136127320.db2.gz VZVWAPKCZHKRNY-MRXNPFEDSA-N 1 2 338.766 3.553 20 5 EHBDLO O=[N+]([O-])c1cc(-c2nc(CC3CCCC3)no2)ccc1-n1cc[nH+]c1 ZINC000815712965 1136631734 /nfs/dbraw/zinc/63/17/34/1136631734.db2.gz GDGCYGQNPYFLRT-UHFFFAOYSA-N 1 2 339.355 3.563 20 5 EHBDLO Cc1ccc2[nH+]cc(CN(C)Cc3cc([N+](=O)[O-])ccc3Cl)n2c1 ZINC000121878351 1137387710 /nfs/dbraw/zinc/38/77/10/1137387710.db2.gz KVNWBCRGPFWLIN-UHFFFAOYSA-N 1 2 344.802 3.836 20 5 EHBDLO C[N@H+](Cc1ccc(Cl)nc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000122667682 1137458187 /nfs/dbraw/zinc/45/81/87/1137458187.db2.gz DWYMFBMWHGTBKP-UHFFFAOYSA-N 1 2 326.183 3.929 20 5 EHBDLO C[N@@H+](Cc1ccc(Cl)nc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000122667682 1137458188 /nfs/dbraw/zinc/45/81/88/1137458188.db2.gz DWYMFBMWHGTBKP-UHFFFAOYSA-N 1 2 326.183 3.929 20 5 EHBDLO COc1cccc(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])c1OC ZINC000872026169 1137565912 /nfs/dbraw/zinc/56/59/12/1137565912.db2.gz YKQIRMAOFUSJER-LLVKDONJSA-N 1 2 334.347 3.602 20 5 EHBDLO C[C@H](N[C@@H]1C[N@H+](C)Cc2ccccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872050802 1137567878 /nfs/dbraw/zinc/56/78/78/1137567878.db2.gz FTKQCZVZMJMLDX-BLLLJJGKSA-N 1 2 329.375 3.571 20 5 EHBDLO C[C@H](N[C@@H]1C[N@@H+](C)Cc2ccccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872050802 1137567879 /nfs/dbraw/zinc/56/78/79/1137567879.db2.gz FTKQCZVZMJMLDX-BLLLJJGKSA-N 1 2 329.375 3.571 20 5 EHBDLO C[C@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872050802 1137567880 /nfs/dbraw/zinc/56/78/80/1137567880.db2.gz FTKQCZVZMJMLDX-BLLLJJGKSA-N 1 2 329.375 3.571 20 5 EHBDLO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1nnc(C(C)C)[nH]1 ZINC000872052437 1137568034 /nfs/dbraw/zinc/56/80/34/1137568034.db2.gz RXIHSPZPDLBDHE-GHMZBOCLSA-N 1 2 349.460 3.970 20 5 EHBDLO COC[C@@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000872084815 1137570433 /nfs/dbraw/zinc/57/04/33/1137570433.db2.gz IMMBTHWTZKMVPH-MLGOLLRUSA-N 1 2 348.374 3.781 20 5 EHBDLO Cc1nccnc1[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000880109168 1137768479 /nfs/dbraw/zinc/76/84/79/1137768479.db2.gz RZQZSWMAYWLWMU-VIFPVBQESA-N 1 2 341.198 3.851 20 5 EHBDLO CC(C)(C)C(C)(C)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000348464089 1138699879 /nfs/dbraw/zinc/69/98/79/1138699879.db2.gz JLWLUJHFYGGHJT-UHFFFAOYSA-N 1 2 344.415 3.583 20 5 EHBDLO Cc1c(C[NH2+][C@H](COCC(C)C)c2ccco2)cccc1[N+](=O)[O-] ZINC000184194687 1140086565 /nfs/dbraw/zinc/08/65/65/1140086565.db2.gz AADSGZXVEQJVKT-MRXNPFEDSA-N 1 2 332.400 4.000 20 5 EHBDLO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000274590381 1014286707 /nfs/dbraw/zinc/28/67/07/1014286707.db2.gz JYHTWVFKOXZIJP-MRVPVSSYSA-N 1 2 331.319 3.921 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+]C1(c2nc(C)cs2)CCC1 ZINC000430227586 1015119382 /nfs/dbraw/zinc/11/93/82/1015119382.db2.gz PZINFRUZWYLNIX-UHFFFAOYSA-N 1 2 333.413 3.537 20 5 EHBDLO O=[N+]([O-])c1ccc(NCCNc2cccc[nH+]2)cc1C(F)(F)F ZINC000339688058 1015524007 /nfs/dbraw/zinc/52/40/07/1015524007.db2.gz LHZQPKITKCAGOK-UHFFFAOYSA-N 1 2 326.278 3.533 20 5 EHBDLO C[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(O)c1 ZINC000181560243 1016928221 /nfs/dbraw/zinc/92/82/21/1016928221.db2.gz JXAVAAHCPRHHSW-LBPRGKRZSA-N 1 2 339.351 3.806 20 5 EHBDLO C[C@H](c1cccc(Cl)c1)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459514125 1032221811 /nfs/dbraw/zinc/22/18/11/1032221811.db2.gz SBBZNLBOVXHNGR-CYBMUJFWSA-N 1 2 346.818 3.526 20 5 EHBDLO CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449563151 1032813134 /nfs/dbraw/zinc/81/31/34/1032813134.db2.gz RVFGWHOVLIJTIR-ZDUSSCGKSA-N 1 2 340.383 3.922 20 5 EHBDLO Cc1ccc([C@H](C)[NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000182337354 1019327263 /nfs/dbraw/zinc/32/72/63/1019327263.db2.gz VLSGUMBBBKQVJP-ZDUSSCGKSA-N 1 2 338.367 3.804 20 5 EHBDLO Cc1cccc(C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000602469920 1032904474 /nfs/dbraw/zinc/90/44/74/1032904474.db2.gz ASNFZFTYGDQQAB-UHFFFAOYSA-N 1 2 339.317 3.949 20 5 EHBDLO Cc1cccc(C[N@H+](C)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000602469920 1032904484 /nfs/dbraw/zinc/90/44/84/1032904484.db2.gz ASNFZFTYGDQQAB-UHFFFAOYSA-N 1 2 339.317 3.949 20 5 EHBDLO CC(C)Oc1ccccc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602517508 1032928596 /nfs/dbraw/zinc/92/85/96/1032928596.db2.gz CRTMQMMOKDUZHS-UHFFFAOYSA-N 1 2 341.367 3.813 20 5 EHBDLO CCOc1cc(COc2ccccc2-n2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000518262004 1023171744 /nfs/dbraw/zinc/17/17/44/1023171744.db2.gz VNDKECDKSBUZLN-UHFFFAOYSA-N 1 2 339.351 3.758 20 5 EHBDLO CC[C@@H]1CCC[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000598458236 1033220332 /nfs/dbraw/zinc/22/03/32/1033220332.db2.gz WRAFGQZTHOSAAM-DZGCQCFKSA-N 1 2 342.399 3.574 20 5 EHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611580149 1025471281 /nfs/dbraw/zinc/47/12/81/1025471281.db2.gz RXPXZWULKSWZFM-AWEZNQCLSA-N 1 2 344.358 3.586 20 5 EHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611580149 1025471290 /nfs/dbraw/zinc/47/12/90/1025471290.db2.gz RXPXZWULKSWZFM-AWEZNQCLSA-N 1 2 344.358 3.586 20 5 EHBDLO CCOc1cc(N2CCC[C@H]2c2[nH]c(C)c(C)[nH+]2)ccc1[N+](=O)[O-] ZINC000895192170 1026084077 /nfs/dbraw/zinc/08/40/77/1026084077.db2.gz FXYDCKIBNCZOCM-HNNXBMFYSA-N 1 2 330.388 3.675 20 5 EHBDLO Cc1cc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)ncn1 ZINC000611520953 1027027373 /nfs/dbraw/zinc/02/73/73/1027027373.db2.gz JDAASRKKWNOGCR-LJQANCHMSA-N 1 2 334.379 3.572 20 5 EHBDLO Cc1ccc(C)c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000016020296 1027725057 /nfs/dbraw/zinc/72/50/57/1027725057.db2.gz XLQRLWZFBGSPTE-UHFFFAOYSA-N 1 2 336.351 3.650 20 5 EHBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(c4ccsc4)CC3)nc2c1 ZINC000444675849 1028146128 /nfs/dbraw/zinc/14/61/28/1028146128.db2.gz SMFCTEZTDXSZBP-UHFFFAOYSA-N 1 2 342.424 3.912 20 5 EHBDLO COc1ccc(C[N@@H+]2CCc3cccc(F)c3[C@@H]2C)cc1[N+](=O)[O-] ZINC000523451860 1028325408 /nfs/dbraw/zinc/32/54/08/1028325408.db2.gz UWRCUVGQPSQZEJ-LBPRGKRZSA-N 1 2 330.359 3.862 20 5 EHBDLO COc1ccc(C[N@H+]2CCc3cccc(F)c3[C@@H]2C)cc1[N+](=O)[O-] ZINC000523451860 1028325427 /nfs/dbraw/zinc/32/54/27/1028325427.db2.gz UWRCUVGQPSQZEJ-LBPRGKRZSA-N 1 2 330.359 3.862 20 5 EHBDLO Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000513761747 1028874823 /nfs/dbraw/zinc/87/48/23/1028874823.db2.gz OEVMLIBODNLMKU-DNVCBOLYSA-N 1 2 326.396 3.865 20 5 EHBDLO Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000513761747 1028874838 /nfs/dbraw/zinc/87/48/38/1028874838.db2.gz OEVMLIBODNLMKU-DNVCBOLYSA-N 1 2 326.396 3.865 20 5 EHBDLO C[C@@H](C(=O)Nc1cccc(-n2cc[nH+]c2)c1)c1cccc([N+](=O)[O-])c1 ZINC000572938842 1029487880 /nfs/dbraw/zinc/48/78/80/1029487880.db2.gz VRUBTXWXHWIEED-CYBMUJFWSA-N 1 2 336.351 3.523 20 5 EHBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccc(F)cc3Cl)nc2c1 ZINC000446848864 1029818654 /nfs/dbraw/zinc/81/86/54/1029818654.db2.gz JXACOCFGEIYCBM-UHFFFAOYSA-N 1 2 334.738 3.553 20 5 EHBDLO CCc1ccc([C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CCO2)cc1 ZINC000483434034 1031170216 /nfs/dbraw/zinc/17/02/16/1031170216.db2.gz OCRXCTUCKMREJA-LJQANCHMSA-N 1 2 326.396 3.731 20 5 EHBDLO CCc1ccc([C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CCO2)cc1 ZINC000483434034 1031170223 /nfs/dbraw/zinc/17/02/23/1031170223.db2.gz OCRXCTUCKMREJA-LJQANCHMSA-N 1 2 326.396 3.731 20 5 EHBDLO CCCc1nc(C)c(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)o1 ZINC000595040686 1033659816 /nfs/dbraw/zinc/65/98/16/1033659816.db2.gz ZHRRDBDRGGPQLO-NSHDSACASA-N 1 2 333.388 3.703 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](CCO)c1ccccc1F ZINC000595045421 1033662861 /nfs/dbraw/zinc/66/28/61/1033662861.db2.gz MYTAPBHFSOSKGU-SJKOYZFVSA-N 1 2 348.374 3.517 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](Cc1cccs1)C1CC1 ZINC000044898065 1035510388 /nfs/dbraw/zinc/51/03/88/1035510388.db2.gz CGAPBWONUQVNEK-UHFFFAOYSA-N 1 2 345.424 3.568 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](Cc1cccs1)C1CC1 ZINC000044898065 1035510397 /nfs/dbraw/zinc/51/03/97/1035510397.db2.gz CGAPBWONUQVNEK-UHFFFAOYSA-N 1 2 345.424 3.568 20 5 EHBDLO CCOc1cc(C[N@@H+]2CCc3ccc(F)cc3C2)ccc1[N+](=O)[O-] ZINC000492694186 1036181073 /nfs/dbraw/zinc/18/10/73/1036181073.db2.gz CVZORUAXIXPLSZ-UHFFFAOYSA-N 1 2 330.359 3.691 20 5 EHBDLO CCOc1cc(C[N@H+]2CCc3ccc(F)cc3C2)ccc1[N+](=O)[O-] ZINC000492694186 1036181084 /nfs/dbraw/zinc/18/10/84/1036181084.db2.gz CVZORUAXIXPLSZ-UHFFFAOYSA-N 1 2 330.359 3.691 20 5 EHBDLO Cc1cccc(-c2noc(-c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)n2)c1 ZINC000761397377 1036860006 /nfs/dbraw/zinc/86/00/06/1036860006.db2.gz KVFHPAXOMOEVQQ-UHFFFAOYSA-N 1 2 347.334 3.806 20 5 EHBDLO COCC[N@H+](Cc1ccc(C)cc1C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000609144658 1037026663 /nfs/dbraw/zinc/02/66/63/1037026663.db2.gz YXJNQCPVOSMLRZ-UHFFFAOYSA-N 1 2 346.402 3.999 20 5 EHBDLO COCC[N@@H+](Cc1ccc(C)cc1C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000609144658 1037026688 /nfs/dbraw/zinc/02/66/88/1037026688.db2.gz YXJNQCPVOSMLRZ-UHFFFAOYSA-N 1 2 346.402 3.999 20 5 EHBDLO COc1cc2c(cc1F)C[N@@H+]([C@@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000539736695 1037135578 /nfs/dbraw/zinc/13/55/78/1037135578.db2.gz CNVVYTLPVMBHMK-LBPRGKRZSA-N 1 2 330.359 3.862 20 5 EHBDLO COc1cc2c(cc1F)C[N@H+]([C@@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000539736695 1037135592 /nfs/dbraw/zinc/13/55/92/1037135592.db2.gz CNVVYTLPVMBHMK-LBPRGKRZSA-N 1 2 330.359 3.862 20 5 EHBDLO Cc1cc(-c2noc([C@@H](CC(C)C)n3cc[nH+]c3)n2)cc([N+](=O)[O-])c1 ZINC000924092255 1037603893 /nfs/dbraw/zinc/60/38/93/1037603893.db2.gz AKODBMDQNGPMGT-OAHLLOKOSA-N 1 2 341.371 3.785 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CO)c1c(F)cccc1F ZINC000540184148 1037667447 /nfs/dbraw/zinc/66/74/47/1037667447.db2.gz YAPYKFMKDRTDHZ-BDJLRTHQSA-N 1 2 336.338 3.566 20 5 EHBDLO CCc1nnc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000417354010 1039713350 /nfs/dbraw/zinc/71/33/50/1039713350.db2.gz YKHYJLGHOBCCRG-CQSZACIVSA-N 1 2 332.429 3.566 20 5 EHBDLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000600180372 1040789759 /nfs/dbraw/zinc/78/97/59/1040789759.db2.gz BVLKJYVIBHBDMH-UHFFFAOYSA-N 1 2 344.415 3.547 20 5 EHBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000029657612 1040798768 /nfs/dbraw/zinc/79/87/68/1040798768.db2.gz HBIUMTUZJBZEGN-FZKQIMNGSA-N 1 2 330.359 3.868 20 5 EHBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000029657612 1040798779 /nfs/dbraw/zinc/79/87/79/1040798779.db2.gz HBIUMTUZJBZEGN-FZKQIMNGSA-N 1 2 330.359 3.868 20 5 EHBDLO COc1c(O)ccc(C[N@H+](C)Cc2ccccc2SC)c1[N+](=O)[O-] ZINC000894140460 1041301906 /nfs/dbraw/zinc/30/19/06/1041301906.db2.gz FPXWWVPZVXJIQJ-UHFFFAOYSA-N 1 2 348.424 3.663 20 5 EHBDLO COc1c(O)ccc(C[N@@H+](C)Cc2ccccc2SC)c1[N+](=O)[O-] ZINC000894140460 1041301915 /nfs/dbraw/zinc/30/19/15/1041301915.db2.gz FPXWWVPZVXJIQJ-UHFFFAOYSA-N 1 2 348.424 3.663 20 5 EHBDLO COc1ccc([N+](=O)[O-])c(NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000338649756 1127982386 /nfs/dbraw/zinc/98/23/86/1127982386.db2.gz OOFBJIDMNMHQII-UHFFFAOYSA-N 1 2 342.399 3.601 20 5 EHBDLO CC[C@H]([NH2+][C@@H](C)c1nnc2n1CCCCC2)c1cccc([N+](=O)[O-])c1 ZINC000326926891 1128521861 /nfs/dbraw/zinc/52/18/61/1128521861.db2.gz TWJDZLCTRGVLSL-BBRMVZONSA-N 1 2 343.431 3.715 20 5 EHBDLO C[N@@H+](Cc1ccc(F)c(Cl)c1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000762121554 1121112521 /nfs/dbraw/zinc/11/25/21/1121112521.db2.gz RKQGNTXWQSYEHK-UHFFFAOYSA-N 1 2 348.765 3.827 20 5 EHBDLO C[N@H+](Cc1ccc(F)c(Cl)c1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000762121554 1121112523 /nfs/dbraw/zinc/11/25/23/1121112523.db2.gz RKQGNTXWQSYEHK-UHFFFAOYSA-N 1 2 348.765 3.827 20 5 EHBDLO O=[N+]([O-])c1cc(Cl)cnc1NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000301736489 1129011139 /nfs/dbraw/zinc/01/11/39/1129011139.db2.gz HQLRGXBPZCMTGH-UHFFFAOYSA-N 1 2 343.774 3.500 20 5 EHBDLO O=[N+]([O-])c1cc(F)c(NCc2cc[nH+]c(N3CCCCC3)c2)c(F)c1 ZINC000301769334 1129047888 /nfs/dbraw/zinc/04/78/88/1129047888.db2.gz FBKKIPJYEMTXRP-UHFFFAOYSA-N 1 2 348.353 3.870 20 5 EHBDLO Cc1cc(N(C)Cc2cc([N+](=O)[O-])ccc2Cl)nc(C2CC2)[nH+]1 ZINC000734835524 1131284502 /nfs/dbraw/zinc/28/45/02/1131284502.db2.gz XMNURTMCPQVSDX-UHFFFAOYSA-N 1 2 332.791 3.860 20 5 EHBDLO Cc1ccc([C@H](C)[NH2+]Cc2nc(-c3ccccc3)no2)cc1[N+](=O)[O-] ZINC000181826189 1125054293 /nfs/dbraw/zinc/05/42/93/1125054293.db2.gz KUUVTOSADGXBJH-ZDUSSCGKSA-N 1 2 338.367 3.804 20 5 EHBDLO COC[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccco1 ZINC000080240709 1129339985 /nfs/dbraw/zinc/33/99/85/1129339985.db2.gz BMFLOHXPKMPCHZ-HNNXBMFYSA-N 1 2 342.351 3.925 20 5 EHBDLO C[C@H]1SCC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)[C@@H]1C ZINC000735668831 1131371885 /nfs/dbraw/zinc/37/18/85/1131371885.db2.gz ZPQCXPHJLVZDKB-NXEZZACHSA-N 1 2 339.442 3.655 20 5 EHBDLO C[C@H]1SCC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)[C@@H]1C ZINC000735668831 1131371889 /nfs/dbraw/zinc/37/18/89/1131371889.db2.gz ZPQCXPHJLVZDKB-NXEZZACHSA-N 1 2 339.442 3.655 20 5 EHBDLO C[C@H]([NH2+]Cc1ccn(Cc2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000389926600 1129595861 /nfs/dbraw/zinc/59/58/61/1129595861.db2.gz DHRTYUMQHFVYTQ-HNNXBMFYSA-N 1 2 336.395 3.690 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@@H+](CCCO)Cc2cccc(Cl)c2)cs1 ZINC000134283405 1129989536 /nfs/dbraw/zinc/98/95/36/1129989536.db2.gz KIPRRGIZAQCCJS-UHFFFAOYSA-N 1 2 340.832 3.694 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@H+](CCCO)Cc2cccc(Cl)c2)cs1 ZINC000134283405 1129989538 /nfs/dbraw/zinc/98/95/38/1129989538.db2.gz KIPRRGIZAQCCJS-UHFFFAOYSA-N 1 2 340.832 3.694 20 5 EHBDLO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@@H](CF)C(F)(F)C1)CC2 ZINC001172909614 1131916182 /nfs/dbraw/zinc/91/61/82/1131916182.db2.gz UBINKBFAXYYCST-GJZGRUSLSA-N 1 2 342.361 3.769 20 5 EHBDLO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1CC[C@@H](CF)C(F)(F)C1)CC2 ZINC001172909614 1131916185 /nfs/dbraw/zinc/91/61/85/1131916185.db2.gz UBINKBFAXYYCST-GJZGRUSLSA-N 1 2 342.361 3.769 20 5 EHBDLO C[C@H]1SCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])[C@H]1C ZINC000769446767 1133292380 /nfs/dbraw/zinc/29/23/80/1133292380.db2.gz OYSLXZFLDQWOOL-VHSXEESVSA-N 1 2 345.262 3.683 20 5 EHBDLO C[C@H]1SCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])[C@H]1C ZINC000769446767 1133292383 /nfs/dbraw/zinc/29/23/83/1133292383.db2.gz OYSLXZFLDQWOOL-VHSXEESVSA-N 1 2 345.262 3.683 20 5 EHBDLO CC[C@H]1C[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])CCS1 ZINC000769447860 1133292642 /nfs/dbraw/zinc/29/26/42/1133292642.db2.gz ZABQPYHFPBCODI-JTQLQIEISA-N 1 2 345.262 3.685 20 5 EHBDLO CC[C@H]1C[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])CCS1 ZINC000769447860 1133292645 /nfs/dbraw/zinc/29/26/45/1133292645.db2.gz ZABQPYHFPBCODI-JTQLQIEISA-N 1 2 345.262 3.685 20 5 EHBDLO CC(C)([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1F ZINC001182055426 1133569873 /nfs/dbraw/zinc/56/98/73/1133569873.db2.gz ZWAJNPPJLZAJRG-UHFFFAOYSA-N 1 2 329.331 3.900 20 5 EHBDLO CC1(C[N@@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC1 ZINC000793615563 1134972661 /nfs/dbraw/zinc/97/26/61/1134972661.db2.gz TVSJTWGKIRLNFY-UHFFFAOYSA-N 1 2 325.206 3.516 20 5 EHBDLO CC1(C[N@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC1 ZINC000793615563 1134972666 /nfs/dbraw/zinc/97/26/66/1134972666.db2.gz TVSJTWGKIRLNFY-UHFFFAOYSA-N 1 2 325.206 3.516 20 5 EHBDLO CCc1ccc(OC(=O)c2ccc(-n3cc[nH+]c3)cc2)c([N+](=O)[O-])c1 ZINC000776089426 1135953316 /nfs/dbraw/zinc/95/33/16/1135953316.db2.gz CJVOOZWNCSCILA-UHFFFAOYSA-N 1 2 337.335 3.562 20 5 EHBDLO O=[N+]([O-])c1ccc(Cl)c(Cl)c1N1CCC(n2cc[nH+]c2)CC1 ZINC000865486481 1137288125 /nfs/dbraw/zinc/28/81/25/1137288125.db2.gz XRUNJRBICNYSOE-UHFFFAOYSA-N 1 2 341.198 3.940 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2cnc(Cl)c(F)c2)C2CC2)cc1 ZINC000846843144 1137371245 /nfs/dbraw/zinc/37/12/45/1137371245.db2.gz ZCKKBCHFCWLSLD-UHFFFAOYSA-N 1 2 335.766 3.947 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cnc(Cl)c(F)c2)C2CC2)cc1 ZINC000846843144 1137371246 /nfs/dbraw/zinc/37/12/46/1137371246.db2.gz ZCKKBCHFCWLSLD-UHFFFAOYSA-N 1 2 335.766 3.947 20 5 EHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC001171734734 1137510685 /nfs/dbraw/zinc/51/06/85/1137510685.db2.gz KJUWIIZPYNLJCD-OAHLLOKOSA-N 1 2 348.443 3.916 20 5 EHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC001171734734 1137510686 /nfs/dbraw/zinc/51/06/86/1137510686.db2.gz KJUWIIZPYNLJCD-OAHLLOKOSA-N 1 2 348.443 3.916 20 5 EHBDLO Cc1ncc2c(n1)CCC[C@@H]2[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872034123 1137566633 /nfs/dbraw/zinc/56/66/33/1137566633.db2.gz IADSNDMRGCESSC-HZMBPMFUSA-N 1 2 330.363 3.561 20 5 EHBDLO C[C@H](c1ccco1)[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000119147784 1137938544 /nfs/dbraw/zinc/93/85/44/1137938544.db2.gz YYRWMJMAZWKURT-GFCCVEGCSA-N 1 2 344.367 3.780 20 5 EHBDLO C[C@H](c1ccco1)[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000119147784 1137938545 /nfs/dbraw/zinc/93/85/45/1137938545.db2.gz YYRWMJMAZWKURT-GFCCVEGCSA-N 1 2 344.367 3.780 20 5 EHBDLO CC[C@](C)([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1nc(C)cs1 ZINC000173942007 1139388150 /nfs/dbraw/zinc/38/81/50/1139388150.db2.gz LVLMKMBYORDUON-INIZCTEOSA-N 1 2 335.429 3.783 20 5 EHBDLO Cc1[nH]c(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])s3)c2)[nH+]c1C ZINC000363378319 526592096 /nfs/dbraw/zinc/59/20/96/526592096.db2.gz UQADXJQZMYALLT-UHFFFAOYSA-N 1 2 342.380 3.916 20 5 EHBDLO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000157658122 1015158847 /nfs/dbraw/zinc/15/88/47/1015158847.db2.gz UHXDMEFLXCDLQQ-NSHDSACASA-N 1 2 334.395 3.845 20 5 EHBDLO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000157657971 1015159340 /nfs/dbraw/zinc/15/93/40/1015159340.db2.gz UHXDMEFLXCDLQQ-LLVKDONJSA-N 1 2 334.395 3.845 20 5 EHBDLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134733432 1015762974 /nfs/dbraw/zinc/76/29/74/1015762974.db2.gz VYFODDBUUBJOCT-UHFFFAOYSA-N 1 2 342.742 3.891 20 5 EHBDLO Cc1c([C@H](C)[NH2+][C@@H]2COc3cc(F)cc(F)c32)cccc1[N+](=O)[O-] ZINC000359868622 1015880011 /nfs/dbraw/zinc/88/00/11/1015880011.db2.gz KPDWLCIEISHINN-IINYFYTJSA-N 1 2 334.322 3.966 20 5 EHBDLO Cc1ccc(-c2noc(-c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)n2)cc1 ZINC000904572044 1032138455 /nfs/dbraw/zinc/13/84/55/1032138455.db2.gz NVIRJSWRSMBYSI-UHFFFAOYSA-N 1 2 347.334 3.806 20 5 EHBDLO COc1ccncc1C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000340402406 1017381613 /nfs/dbraw/zinc/38/16/13/1017381613.db2.gz FQYIYKWMIWBOEP-FQEVSTJZSA-N 1 2 349.390 3.878 20 5 EHBDLO C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)c2nccn21 ZINC000449568895 1032821028 /nfs/dbraw/zinc/82/10/28/1032821028.db2.gz DVRXBOGFYDHGEV-DOMZBBRYSA-N 1 2 338.367 3.847 20 5 EHBDLO O=[N+]([O-])c1cnc(N2CCC(CCCn3cc[nH+]c3)CC2)c(Cl)c1 ZINC000340774407 1019966997 /nfs/dbraw/zinc/96/69/97/1019966997.db2.gz HAZUYXZRXBBPBL-UHFFFAOYSA-N 1 2 349.822 3.537 20 5 EHBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2cc(C3CC3)no2)cc(C(F)(F)F)c1 ZINC000602641557 1033030819 /nfs/dbraw/zinc/03/08/19/1033030819.db2.gz STGICIJZIJPDFA-UHFFFAOYSA-N 1 2 341.289 3.769 20 5 EHBDLO Cc1noc(C[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)c1[N+](=O)[O-] ZINC000933818957 1023043626 /nfs/dbraw/zinc/04/36/26/1023043626.db2.gz MMRWAJKTKGTGOO-UHFFFAOYSA-N 1 2 338.367 3.662 20 5 EHBDLO Cc1noc(C[N@@H+]2CC=C(c3c[nH]c4ccccc43)CC2)c1[N+](=O)[O-] ZINC000933818957 1023043640 /nfs/dbraw/zinc/04/36/40/1023043640.db2.gz MMRWAJKTKGTGOO-UHFFFAOYSA-N 1 2 338.367 3.662 20 5 EHBDLO Cn1cc(C[N@@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)c([N+](=O)[O-])n1 ZINC000602793023 1033167250 /nfs/dbraw/zinc/16/72/50/1033167250.db2.gz UUPRQENBBHHBGG-KRWDZBQOSA-N 1 2 339.399 3.537 20 5 EHBDLO Cn1cc(C[N@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)c([N+](=O)[O-])n1 ZINC000602793023 1033167257 /nfs/dbraw/zinc/16/72/57/1033167257.db2.gz UUPRQENBBHHBGG-KRWDZBQOSA-N 1 2 339.399 3.537 20 5 EHBDLO Cc1ccccc1C[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000051380768 1025035196 /nfs/dbraw/zinc/03/51/96/1025035196.db2.gz JHDBMJMZIAHMAH-UHFFFAOYSA-N 1 2 338.367 3.585 20 5 EHBDLO Cc1ccccc1C[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000051380768 1025035207 /nfs/dbraw/zinc/03/52/07/1025035207.db2.gz JHDBMJMZIAHMAH-UHFFFAOYSA-N 1 2 338.367 3.585 20 5 EHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC=CCC2)cc1OC ZINC000611669001 1027213403 /nfs/dbraw/zinc/21/34/03/1027213403.db2.gz FVEMPWYOLSQSJE-AWEZNQCLSA-N 1 2 334.416 3.790 20 5 EHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC=CCC2)cc1OC ZINC000611669001 1027213409 /nfs/dbraw/zinc/21/34/09/1027213409.db2.gz FVEMPWYOLSQSJE-AWEZNQCLSA-N 1 2 334.416 3.790 20 5 EHBDLO Cc1noc(C)c1[C@H](C)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000612461671 1028122204 /nfs/dbraw/zinc/12/22/04/1028122204.db2.gz MQMGNHHCXFAQAN-JTQLQIEISA-N 1 2 342.355 3.705 20 5 EHBDLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000342924930 1028158125 /nfs/dbraw/zinc/15/81/25/1028158125.db2.gz LVMIRXDZGPINBB-UHFFFAOYSA-N 1 2 347.334 3.514 20 5 EHBDLO CC1(C)C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440549935 1028259191 /nfs/dbraw/zinc/25/91/91/1028259191.db2.gz QEVIWYJITSAVQU-IFIJOSMWSA-N 1 2 336.457 3.826 20 5 EHBDLO CC1(C)C[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440549935 1028259207 /nfs/dbraw/zinc/25/92/07/1028259207.db2.gz QEVIWYJITSAVQU-IFIJOSMWSA-N 1 2 336.457 3.826 20 5 EHBDLO Cc1cc(CNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC000421578042 1028571260 /nfs/dbraw/zinc/57/12/60/1028571260.db2.gz QLFPAGUMQCYBPB-UHFFFAOYSA-N 1 2 327.384 3.660 20 5 EHBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccc(Cl)cc3F)nc2c1 ZINC000446845539 1029826145 /nfs/dbraw/zinc/82/61/45/1029826145.db2.gz NTDMLTIKQHVTOQ-UHFFFAOYSA-N 1 2 334.738 3.553 20 5 EHBDLO CCc1ccc([C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])CCO2)cc1 ZINC000483439836 1031170950 /nfs/dbraw/zinc/17/09/50/1031170950.db2.gz FKZULLZDZPSSEW-LJQANCHMSA-N 1 2 326.396 3.731 20 5 EHBDLO CCc1ccc([C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])CCO2)cc1 ZINC000483439836 1031170959 /nfs/dbraw/zinc/17/09/59/1031170959.db2.gz FKZULLZDZPSSEW-LJQANCHMSA-N 1 2 326.396 3.731 20 5 EHBDLO COc1ccc(C[N@H+]2C[C@@H](c3ccccc3)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000063587614 1033477484 /nfs/dbraw/zinc/47/74/84/1033477484.db2.gz HZXUJHYGIPXKSH-LIRRHRJNSA-N 1 2 342.395 3.565 20 5 EHBDLO COc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000063587614 1033477492 /nfs/dbraw/zinc/47/74/92/1033477492.db2.gz HZXUJHYGIPXKSH-LIRRHRJNSA-N 1 2 342.395 3.565 20 5 EHBDLO COc1ccnc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1F ZINC000595081147 1033696841 /nfs/dbraw/zinc/69/68/41/1033696841.db2.gz QDSUTAQKTAQYMX-AWEZNQCLSA-N 1 2 345.374 3.650 20 5 EHBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(Nc3ccccn3)CC2)ccc1Cl ZINC000761117137 1033849501 /nfs/dbraw/zinc/84/95/01/1033849501.db2.gz IOEKHTOFZYKAMA-UHFFFAOYSA-N 1 2 346.818 3.720 20 5 EHBDLO O=[N+]([O-])c1c(Nc2ccc(NC3CCCC3)[nH+]c2)nc2sccn21 ZINC000608831188 1033906025 /nfs/dbraw/zinc/90/60/25/1033906025.db2.gz NRCWQPJDUWRFRP-UHFFFAOYSA-N 1 2 344.400 3.797 20 5 EHBDLO COc1cc(C[N@@H+]2CCc3ccc(Cl)cc3C2)ccc1[N+](=O)[O-] ZINC000492837587 1036354415 /nfs/dbraw/zinc/35/44/15/1036354415.db2.gz WLBOBDCFNGCVHL-UHFFFAOYSA-N 1 2 332.787 3.815 20 5 EHBDLO COc1cc(C[N@H+]2CCc3ccc(Cl)cc3C2)ccc1[N+](=O)[O-] ZINC000492837587 1036354434 /nfs/dbraw/zinc/35/44/34/1036354434.db2.gz WLBOBDCFNGCVHL-UHFFFAOYSA-N 1 2 332.787 3.815 20 5 EHBDLO Cc1ccc(C[N@@H+]2CCO[C@@](C)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000539830660 1037255289 /nfs/dbraw/zinc/25/52/89/1037255289.db2.gz OOGCAGFEQYKMMU-LJQANCHMSA-N 1 2 326.396 3.651 20 5 EHBDLO Cc1ccc(C[N@H+]2CCO[C@@](C)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000539830660 1037255307 /nfs/dbraw/zinc/25/53/07/1037255307.db2.gz OOGCAGFEQYKMMU-LJQANCHMSA-N 1 2 326.396 3.651 20 5 EHBDLO CC(C)(C)OC(=O)C1(C)CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000592156794 1037897722 /nfs/dbraw/zinc/89/77/22/1037897722.db2.gz ACVQPMFDZRYLKU-UHFFFAOYSA-N 1 2 340.445 3.600 20 5 EHBDLO CN(C)c1cccc(C[N@H+](C)Cc2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000492051674 1037908133 /nfs/dbraw/zinc/90/81/33/1037908133.db2.gz WXKFPDDQFCFATR-UHFFFAOYSA-N 1 2 333.819 3.946 20 5 EHBDLO CN(C)c1cccc(C[N@@H+](C)Cc2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000492051674 1037908146 /nfs/dbraw/zinc/90/81/46/1037908146.db2.gz WXKFPDDQFCFATR-UHFFFAOYSA-N 1 2 333.819 3.946 20 5 EHBDLO Cc1cc(NCCNc2cccc[nH+]2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461723743 1038586711 /nfs/dbraw/zinc/58/67/11/1038586711.db2.gz FDZKCBMZAOMJMR-UHFFFAOYSA-N 1 2 340.305 3.841 20 5 EHBDLO Cc1cc([C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3C)CCO2)ccc1F ZINC000491142059 1040926066 /nfs/dbraw/zinc/92/60/66/1040926066.db2.gz YCVUVUDLXBMBLK-IBGZPJMESA-N 1 2 344.386 3.924 20 5 EHBDLO Cc1cc([C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3C)CCO2)ccc1F ZINC000491142059 1040926084 /nfs/dbraw/zinc/92/60/84/1040926084.db2.gz YCVUVUDLXBMBLK-IBGZPJMESA-N 1 2 344.386 3.924 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2nc3cccnc3s2)C2CC2)cc1 ZINC000343949566 1042921446 /nfs/dbraw/zinc/92/14/46/1042921446.db2.gz JOPKCKXZLKMFLC-UHFFFAOYSA-N 1 2 340.408 3.764 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2nc3cccnc3s2)C2CC2)cc1 ZINC000343949566 1042921448 /nfs/dbraw/zinc/92/14/48/1042921448.db2.gz JOPKCKXZLKMFLC-UHFFFAOYSA-N 1 2 340.408 3.764 20 5 EHBDLO Cc1cc(C)c(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c(C)[nH+]1 ZINC000344067418 1043195596 /nfs/dbraw/zinc/19/55/96/1043195596.db2.gz URSXWTBGVOSAOI-UHFFFAOYSA-N 1 2 338.367 3.508 20 5 EHBDLO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(Br)cn1 ZINC000279869025 1044774240 /nfs/dbraw/zinc/77/42/40/1044774240.db2.gz TUTCUQMHWYBZHE-MRVPVSSYSA-N 1 2 342.218 3.665 20 5 EHBDLO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1nc2ccc(Cl)cc2n1C ZINC000091372536 1128654007 /nfs/dbraw/zinc/65/40/07/1128654007.db2.gz YGJLUENZYLTGBW-NSHDSACASA-N 1 2 344.802 3.986 20 5 EHBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCOc1ccc3ccccc3c1)CC2 ZINC000542546777 1121034341 /nfs/dbraw/zinc/03/43/41/1121034341.db2.gz HINZYASIGDLMDM-UHFFFAOYSA-N 1 2 349.390 3.580 20 5 EHBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCOc1ccc3ccccc3c1)CC2 ZINC000542546777 1121034345 /nfs/dbraw/zinc/03/43/45/1121034345.db2.gz HINZYASIGDLMDM-UHFFFAOYSA-N 1 2 349.390 3.580 20 5 EHBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)OCCCn1cc[nH+]c1 ZINC000784540890 1121072478 /nfs/dbraw/zinc/07/24/78/1121072478.db2.gz YFVVDLPFSUTRQQ-UHFFFAOYSA-N 1 2 349.412 3.539 20 5 EHBDLO C[C@H](c1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1)C(C)(C)C ZINC000762146924 1121125984 /nfs/dbraw/zinc/12/59/84/1121125984.db2.gz LKBREMBWMLOWGM-LLVKDONJSA-N 1 2 341.371 3.980 20 5 EHBDLO O=[N+]([O-])c1c(F)cccc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000919962529 1123247875 /nfs/dbraw/zinc/24/78/75/1123247875.db2.gz JBFGTCOOFNEIMW-UHFFFAOYSA-N 1 2 349.793 3.710 20 5 EHBDLO Cn1cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c(C(C)(C)C)n1 ZINC000179695571 1123826899 /nfs/dbraw/zinc/82/68/99/1123826899.db2.gz IJZDZUCCVHETMR-UHFFFAOYSA-N 1 2 342.443 3.790 20 5 EHBDLO Cn1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c(C(C)(C)C)n1 ZINC000179695571 1123826903 /nfs/dbraw/zinc/82/69/03/1123826903.db2.gz IJZDZUCCVHETMR-UHFFFAOYSA-N 1 2 342.443 3.790 20 5 EHBDLO C[C@@H]([NH2+][C@@H](CO)c1cccc(Cl)c1F)c1ccccc1[N+](=O)[O-] ZINC000499947235 1129587254 /nfs/dbraw/zinc/58/72/54/1129587254.db2.gz MQQJJVIUCBYRJT-YGRLFVJLSA-N 1 2 338.766 3.772 20 5 EHBDLO Cc1cc(N[C@H]2CCN(c3cccc[nH+]3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302027976 1129764056 /nfs/dbraw/zinc/76/40/56/1129764056.db2.gz RBQWVFZYVBYHEY-AWEZNQCLSA-N 1 2 349.394 3.537 20 5 EHBDLO CCCC[C@@H](CC)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032160857 1129978425 /nfs/dbraw/zinc/97/84/25/1129978425.db2.gz ODLURQMKHDLBIR-CQSZACIVSA-N 1 2 344.415 3.727 20 5 EHBDLO CC(C)[N@@H+](Cc1cccc(C(F)(F)F)c1)Cn1nccc1[N+](=O)[O-] ZINC000746045620 1132354110 /nfs/dbraw/zinc/35/41/10/1132354110.db2.gz XNMJNBIDURAGIO-UHFFFAOYSA-N 1 2 342.321 3.678 20 5 EHBDLO CC(C)[N@H+](Cc1cccc(C(F)(F)F)c1)Cn1nccc1[N+](=O)[O-] ZINC000746045620 1132354116 /nfs/dbraw/zinc/35/41/16/1132354116.db2.gz XNMJNBIDURAGIO-UHFFFAOYSA-N 1 2 342.321 3.678 20 5 EHBDLO C[C@@H]([NH2+]Cc1csc(-c2ccccn2)n1)c1ccc([N+](=O)[O-])cc1 ZINC001176028877 1132824950 /nfs/dbraw/zinc/82/49/50/1132824950.db2.gz QVFVXLIBUSILNP-GFCCVEGCSA-N 1 2 340.408 3.964 20 5 EHBDLO C[C@H]1SCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])[C@@H]1C ZINC000769446765 1133291013 /nfs/dbraw/zinc/29/10/13/1133291013.db2.gz OYSLXZFLDQWOOL-NXEZZACHSA-N 1 2 345.262 3.683 20 5 EHBDLO C[C@H]1SCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])[C@@H]1C ZINC000769446765 1133291019 /nfs/dbraw/zinc/29/10/19/1133291019.db2.gz OYSLXZFLDQWOOL-NXEZZACHSA-N 1 2 345.262 3.683 20 5 EHBDLO CCn1nc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)c2ccccc21 ZINC000769918150 1133359340 /nfs/dbraw/zinc/35/93/40/1133359340.db2.gz UOYNRUWISPBJDW-UHFFFAOYSA-N 1 2 344.802 3.908 20 5 EHBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](CCCCCF)CC2 ZINC000792901159 1134816665 /nfs/dbraw/zinc/81/66/65/1134816665.db2.gz YCWIANPOOVYCTL-UHFFFAOYSA-N 1 2 345.212 3.855 20 5 EHBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](CCCCCF)CC2 ZINC000792901159 1134816673 /nfs/dbraw/zinc/81/66/73/1134816673.db2.gz YCWIANPOOVYCTL-UHFFFAOYSA-N 1 2 345.212 3.855 20 5 EHBDLO C[C@H](Nc1ccc([NH+]2CCCC2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815601756 1136617109 /nfs/dbraw/zinc/61/71/09/1136617109.db2.gz DZDSQANJDURONJ-ZDUSSCGKSA-N 1 2 326.400 3.950 20 5 EHBDLO COC(=O)c1cc([N+](=O)[O-])c(NCc2cc(C)[nH+]c(C)c2)cc1Cl ZINC000817123782 1136780931 /nfs/dbraw/zinc/78/09/31/1136780931.db2.gz MXOUKQKSOJKECZ-UHFFFAOYSA-N 1 2 349.774 3.659 20 5 EHBDLO C[C@H](NC[C@H](c1ccco1)[NH+]1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872017254 1137564796 /nfs/dbraw/zinc/56/47/96/1137564796.db2.gz XROCXGTWDHKWFH-XJKSGUPXSA-N 1 2 347.390 3.815 20 5 EHBDLO CC(C)(C)c1ccc([N+](=O)[O-])cc1NC(=O)CCCn1cc[nH+]c1 ZINC000876339492 1137649153 /nfs/dbraw/zinc/64/91/53/1137649153.db2.gz BHMPQFZSXXBZGI-UHFFFAOYSA-N 1 2 330.388 3.508 20 5 EHBDLO C[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1C(C)(C)C)n1cc[nH+]c1 ZINC000876343112 1137649360 /nfs/dbraw/zinc/64/93/60/1137649360.db2.gz MDBCANDQQIPRTI-LBPRGKRZSA-N 1 2 330.388 3.679 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cc(O)ccc1Cl ZINC000883326449 1137855026 /nfs/dbraw/zinc/85/50/26/1137855026.db2.gz BHBKUWFTFRXRHW-SNVBAGLBSA-N 1 2 336.775 3.813 20 5 EHBDLO COc1cc(C[N@H+](Cc2csc([N+](=O)[O-])c2)C2CC2)ccc1O ZINC000089973168 1138207637 /nfs/dbraw/zinc/20/76/37/1138207637.db2.gz RIUDMYSFFRHILW-UHFFFAOYSA-N 1 2 334.397 3.535 20 5 EHBDLO COc1cc(C[N@@H+](Cc2csc([N+](=O)[O-])c2)C2CC2)ccc1O ZINC000089973168 1138207639 /nfs/dbraw/zinc/20/76/39/1138207639.db2.gz RIUDMYSFFRHILW-UHFFFAOYSA-N 1 2 334.397 3.535 20 5 EHBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ncc(C(F)(F)F)s1 ZINC000282976188 1138244243 /nfs/dbraw/zinc/24/42/43/1138244243.db2.gz IZPWWAZWRFMGEO-UHFFFAOYSA-N 1 2 345.346 3.745 20 5 EHBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ncc(C(F)(F)F)s1 ZINC000282976188 1138244244 /nfs/dbraw/zinc/24/42/44/1138244244.db2.gz IZPWWAZWRFMGEO-UHFFFAOYSA-N 1 2 345.346 3.745 20 5 EHBDLO CCc1ccc([C@H](COC)[NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000174482209 1139423561 /nfs/dbraw/zinc/42/35/61/1139423561.db2.gz UWNWIPRDYSUTDM-AWEZNQCLSA-N 1 2 338.791 3.881 20 5 EHBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000267451714 1140793307 /nfs/dbraw/zinc/79/33/07/1140793307.db2.gz ROTYTYAIVJZMGG-ZLOXQWCVSA-N 1 2 332.425 3.525 20 5 EHBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000267451714 1140793312 /nfs/dbraw/zinc/79/33/12/1140793312.db2.gz ROTYTYAIVJZMGG-ZLOXQWCVSA-N 1 2 332.425 3.525 20 5 EHBDLO COC(=O)[C@H](C)Sc1nc2ccccc2c2[nH+]c3ccccc3n21 ZINC000004246587 210151144 /nfs/dbraw/zinc/15/11/44/210151144.db2.gz KTJAYSAVHWEEIL-NSHDSACASA-N 1 2 337.404 3.689 20 5 EHBDLO CCC[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@H]1CCCCO1 ZINC000509341369 1015235369 /nfs/dbraw/zinc/23/53/69/1015235369.db2.gz FMZHXPUYAMQNEX-CYBMUJFWSA-N 1 2 328.359 3.654 20 5 EHBDLO CCC[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@H]1CCCCO1 ZINC000509341369 1015235379 /nfs/dbraw/zinc/23/53/79/1015235379.db2.gz FMZHXPUYAMQNEX-CYBMUJFWSA-N 1 2 328.359 3.654 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000183272623 1125498235 /nfs/dbraw/zinc/49/82/35/1125498235.db2.gz GDZGFIIAHZIVAZ-SFHVURJKSA-N 1 2 330.359 3.616 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000183272623 1125498238 /nfs/dbraw/zinc/49/82/38/1125498238.db2.gz GDZGFIIAHZIVAZ-SFHVURJKSA-N 1 2 330.359 3.616 20 5 EHBDLO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000593054096 1032687098 /nfs/dbraw/zinc/68/70/98/1032687098.db2.gz FWYCMXYZVLLXOW-UHFFFAOYSA-N 1 2 336.260 3.600 20 5 EHBDLO CC(=O)c1ccc(NCc2ccccc2-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000091506301 1032706497 /nfs/dbraw/zinc/70/64/97/1032706497.db2.gz MRFNLFAVWIOKLX-UHFFFAOYSA-N 1 2 336.351 3.595 20 5 EHBDLO Cc1cc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc[nH+]1 ZINC000126402238 1020646140 /nfs/dbraw/zinc/64/61/40/1020646140.db2.gz VFGAWYAVKLWZEZ-UHFFFAOYSA-N 1 2 340.364 3.674 20 5 EHBDLO Cc1c(C[N@@H+]2[C@@H](C)COC[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000501081099 1020697782 /nfs/dbraw/zinc/69/77/82/1020697782.db2.gz OMRNBJKWHTZVOF-IFXJQAMLSA-N 1 2 326.396 3.865 20 5 EHBDLO Cc1c(C[N@H+]2[C@@H](C)COC[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000501081099 1020697784 /nfs/dbraw/zinc/69/77/84/1020697784.db2.gz OMRNBJKWHTZVOF-IFXJQAMLSA-N 1 2 326.396 3.865 20 5 EHBDLO Cc1c(C[N@@H+]2[C@H](C)COC[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000501081097 1020698275 /nfs/dbraw/zinc/69/82/75/1020698275.db2.gz OMRNBJKWHTZVOF-AUUYWEPGSA-N 1 2 326.396 3.865 20 5 EHBDLO Cc1c(C[N@H+]2[C@H](C)COC[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000501081097 1020698283 /nfs/dbraw/zinc/69/82/83/1020698283.db2.gz OMRNBJKWHTZVOF-AUUYWEPGSA-N 1 2 326.396 3.865 20 5 EHBDLO Cc1ccc(-c2nnc(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000341577640 1022365987 /nfs/dbraw/zinc/36/59/87/1022365987.db2.gz WUJDVYVEYGXTFT-CYBMUJFWSA-N 1 2 338.367 3.804 20 5 EHBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCc4ncsc4C3)o2)cc1 ZINC000438364868 1022596151 /nfs/dbraw/zinc/59/61/51/1022596151.db2.gz AEUMMBCCVLLQIX-UHFFFAOYSA-N 1 2 341.392 3.870 20 5 EHBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCc4ncsc4C3)o2)cc1 ZINC000438364868 1022596158 /nfs/dbraw/zinc/59/61/58/1022596158.db2.gz AEUMMBCCVLLQIX-UHFFFAOYSA-N 1 2 341.392 3.870 20 5 EHBDLO COCC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000505779164 1025496927 /nfs/dbraw/zinc/49/69/27/1025496927.db2.gz YNROWMHNXYOIQY-AWEZNQCLSA-N 1 2 332.375 3.944 20 5 EHBDLO COCC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000505779164 1025496937 /nfs/dbraw/zinc/49/69/37/1025496937.db2.gz YNROWMHNXYOIQY-AWEZNQCLSA-N 1 2 332.375 3.944 20 5 EHBDLO CC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(F)cc1F ZINC000444691410 1028163402 /nfs/dbraw/zinc/16/34/02/1028163402.db2.gz YQNPPMQRHODEIX-AWEZNQCLSA-N 1 2 346.337 3.990 20 5 EHBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)c2c(Cl)cccc2Cl)cc1 ZINC000475629484 1028889548 /nfs/dbraw/zinc/88/95/48/1028889548.db2.gz VFZBKMZCPVJZPQ-CQSZACIVSA-N 1 2 341.194 3.725 20 5 EHBDLO COC(=O)C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(C)C ZINC000508767504 1029916388 /nfs/dbraw/zinc/91/63/88/1029916388.db2.gz ZANUYTLBHRLDNA-UHFFFAOYSA-N 1 2 348.424 3.707 20 5 EHBDLO COC(=O)C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(C)C ZINC000508767504 1029916403 /nfs/dbraw/zinc/91/64/03/1029916403.db2.gz ZANUYTLBHRLDNA-UHFFFAOYSA-N 1 2 348.424 3.707 20 5 EHBDLO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000525786189 1030124651 /nfs/dbraw/zinc/12/46/51/1030124651.db2.gz UYJUEEZOVWQCJV-KXBFYZLASA-N 1 2 326.396 3.865 20 5 EHBDLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000525786189 1030124658 /nfs/dbraw/zinc/12/46/58/1030124658.db2.gz UYJUEEZOVWQCJV-KXBFYZLASA-N 1 2 326.396 3.865 20 5 EHBDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000611787926 1030750827 /nfs/dbraw/zinc/75/08/27/1030750827.db2.gz KKCMNEODBHNJGZ-INIZCTEOSA-N 1 2 334.807 3.627 20 5 EHBDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000611787926 1030750835 /nfs/dbraw/zinc/75/08/35/1030750835.db2.gz KKCMNEODBHNJGZ-INIZCTEOSA-N 1 2 334.807 3.627 20 5 EHBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CCCCCC1 ZINC000448647350 1031379827 /nfs/dbraw/zinc/37/98/27/1031379827.db2.gz LXJJLTJAXOCMGP-UHFFFAOYSA-N 1 2 342.399 3.575 20 5 EHBDLO Cc1cc(N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)ncc1[N+](=O)[O-] ZINC000573165705 1032032713 /nfs/dbraw/zinc/03/27/13/1032032713.db2.gz NRZZDOMDGSVCPK-HDJSIYSDSA-N 1 2 327.388 3.528 20 5 EHBDLO CC(C)O[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000593658737 1033635952 /nfs/dbraw/zinc/63/59/52/1033635952.db2.gz HRDJYKGEVDNQQP-AWEZNQCLSA-N 1 2 344.358 3.586 20 5 EHBDLO CC(C)O[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000593658737 1033635958 /nfs/dbraw/zinc/63/59/58/1033635958.db2.gz HRDJYKGEVDNQQP-AWEZNQCLSA-N 1 2 344.358 3.586 20 5 EHBDLO CCOc1ccc(C[N@H+](Cc2onc(C)c2[N+](=O)[O-])C(C)C)cc1 ZINC000595296735 1033721968 /nfs/dbraw/zinc/72/19/68/1033721968.db2.gz IBZHCXSRTFOYOD-UHFFFAOYSA-N 1 2 333.388 3.701 20 5 EHBDLO CCOc1ccc(C[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C(C)C)cc1 ZINC000595296735 1033721984 /nfs/dbraw/zinc/72/19/84/1033721984.db2.gz IBZHCXSRTFOYOD-UHFFFAOYSA-N 1 2 333.388 3.701 20 5 EHBDLO COc1cc(NCCCNc2cccc[nH+]2)c(Cl)cc1[N+](=O)[O-] ZINC000596081506 1034072977 /nfs/dbraw/zinc/07/29/77/1034072977.db2.gz VDRQPPFNYIVBQK-UHFFFAOYSA-N 1 2 336.779 3.566 20 5 EHBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411928039 1035077518 /nfs/dbraw/zinc/07/75/18/1035077518.db2.gz UDQKYXPRLWHCSM-SUMWQHHRSA-N 1 2 332.787 3.556 20 5 EHBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411928039 1035077521 /nfs/dbraw/zinc/07/75/21/1035077521.db2.gz UDQKYXPRLWHCSM-SUMWQHHRSA-N 1 2 332.787 3.556 20 5 EHBDLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000414081568 1035459872 /nfs/dbraw/zinc/45/98/72/1035459872.db2.gz BMCYPTSHMOMKLG-WDEREUQCSA-N 1 2 349.412 3.558 20 5 EHBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)c1 ZINC000590169345 1036784248 /nfs/dbraw/zinc/78/42/48/1036784248.db2.gz UFJLJVUDWXGAPR-SECBINFHSA-N 1 2 342.239 3.998 20 5 EHBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@@H](C(F)(F)F)C2)c1 ZINC000590169345 1036784269 /nfs/dbraw/zinc/78/42/69/1036784269.db2.gz UFJLJVUDWXGAPR-SECBINFHSA-N 1 2 342.239 3.998 20 5 EHBDLO COc1cc2c(cc1F)C[N@@H+]([C@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000539736693 1037135711 /nfs/dbraw/zinc/13/57/11/1037135711.db2.gz CNVVYTLPVMBHMK-GFCCVEGCSA-N 1 2 330.359 3.862 20 5 EHBDLO COc1cc2c(cc1F)C[N@H+]([C@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000539736693 1037135725 /nfs/dbraw/zinc/13/57/25/1037135725.db2.gz CNVVYTLPVMBHMK-GFCCVEGCSA-N 1 2 330.359 3.862 20 5 EHBDLO CCOc1cc(C[N@@H+]2Cc3ccccc3OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000491800961 1037681558 /nfs/dbraw/zinc/68/15/58/1037681558.db2.gz CPIUTDPUEJNUSZ-CQSZACIVSA-N 1 2 342.395 3.777 20 5 EHBDLO CCOc1cc(C[N@H+]2Cc3ccccc3OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000491800961 1037681568 /nfs/dbraw/zinc/68/15/68/1037681568.db2.gz CPIUTDPUEJNUSZ-CQSZACIVSA-N 1 2 342.395 3.777 20 5 EHBDLO COc1cc(C[N@@H+]2CCc3c(Cl)cccc3C2)ccc1[N+](=O)[O-] ZINC000490043084 1040317634 /nfs/dbraw/zinc/31/76/34/1040317634.db2.gz XQVAMJXPKBQWEE-UHFFFAOYSA-N 1 2 332.787 3.815 20 5 EHBDLO COc1cc(C[N@H+]2CCc3c(Cl)cccc3C2)ccc1[N+](=O)[O-] ZINC000490043084 1040317649 /nfs/dbraw/zinc/31/76/49/1040317649.db2.gz XQVAMJXPKBQWEE-UHFFFAOYSA-N 1 2 332.787 3.815 20 5 EHBDLO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)[nH]1 ZINC000278835063 1041072099 /nfs/dbraw/zinc/07/20/99/1041072099.db2.gz UKEPNYZAFWXCBD-OZVIIMIRSA-N 1 2 343.431 3.955 20 5 EHBDLO O=[N+]([O-])c1ccc(Cn2nc(C(F)(F)F)c3c[nH+]ccc32)c(F)c1 ZINC000092918324 1041395902 /nfs/dbraw/zinc/39/59/02/1041395902.db2.gz KISGKRNDVGCCDM-UHFFFAOYSA-N 1 2 340.236 3.546 20 5 EHBDLO Cc1nn(C)c(Nc2ccc([NH+]3CCC(C)CC3)cc2)c1[N+](=O)[O-] ZINC000301300215 1127735649 /nfs/dbraw/zinc/73/56/49/1127735649.db2.gz ULJRVSPPZFGBRN-UHFFFAOYSA-N 1 2 329.404 3.617 20 5 EHBDLO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2nnc3n2CCCCC3)cc1[N+](=O)[O-] ZINC000326815552 1128450798 /nfs/dbraw/zinc/45/07/98/1128450798.db2.gz WLAHNLCSRQYTOM-ZIAGYGMSSA-N 1 2 343.431 3.633 20 5 EHBDLO CC[C@@H]([NH2+][C@H](C)c1nnc2n1CCCCC2)c1cccc([N+](=O)[O-])c1 ZINC000326926905 1128522060 /nfs/dbraw/zinc/52/20/60/1128522060.db2.gz TWJDZLCTRGVLSL-CZUORRHYSA-N 1 2 343.431 3.715 20 5 EHBDLO Cc1cc(NCc2cc[nH+]c(N3CCCCC3)c2)ccc1[N+](=O)[O-] ZINC000301092752 1121584397 /nfs/dbraw/zinc/58/43/97/1121584397.db2.gz LQJMUXVNDOPZEF-UHFFFAOYSA-N 1 2 326.400 3.901 20 5 EHBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000544530205 1122319981 /nfs/dbraw/zinc/31/99/81/1122319981.db2.gz SGMZOVDWBHBDGJ-OXQOHEQNSA-N 1 2 340.423 3.989 20 5 EHBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000544530205 1122319992 /nfs/dbraw/zinc/31/99/92/1122319992.db2.gz SGMZOVDWBHBDGJ-OXQOHEQNSA-N 1 2 340.423 3.989 20 5 EHBDLO O=[N+]([O-])c1cc(F)c(NCc2cccc(Cn3cc[nH+]c3)c2)c(F)c1 ZINC000301779055 1129064094 /nfs/dbraw/zinc/06/40/94/1129064094.db2.gz IQGKCXJXFPQOML-UHFFFAOYSA-N 1 2 344.321 3.730 20 5 EHBDLO NC(Cc1cccs1)=[NH+]OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000734834626 1131283455 /nfs/dbraw/zinc/28/34/55/1131283455.db2.gz ZSZXTIFNXMYARF-UHFFFAOYSA-N 1 2 325.777 3.551 20 5 EHBDLO COc1ccc2c(c1)OCC[N@H+]([C@@H](C)c1cc([N+](=O)[O-])ccc1C)C2 ZINC000619810763 1125414705 /nfs/dbraw/zinc/41/47/05/1125414705.db2.gz VILLABDKYUPMQA-AWEZNQCLSA-N 1 2 342.395 3.867 20 5 EHBDLO COc1ccc2c(c1)OCC[N@@H+]([C@@H](C)c1cc([N+](=O)[O-])ccc1C)C2 ZINC000619810763 1125414707 /nfs/dbraw/zinc/41/47/07/1125414707.db2.gz VILLABDKYUPMQA-AWEZNQCLSA-N 1 2 342.395 3.867 20 5 EHBDLO COc1ccc(C2([NH2+]Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)cc1 ZINC000509008609 1129642194 /nfs/dbraw/zinc/64/21/94/1129642194.db2.gz ZMGKCJBYZCODMF-UHFFFAOYSA-N 1 2 334.322 3.661 20 5 EHBDLO COc1ccc([N+](=O)[O-])cc1CNc1cc[nH+]c2c(OC)cccc12 ZINC000302432290 1129778800 /nfs/dbraw/zinc/77/88/00/1129778800.db2.gz LKHSPVGLCVUQAM-UHFFFAOYSA-N 1 2 339.351 3.772 20 5 EHBDLO NS(=O)(=O)c1ccc(Nc2ccc3[nH+]c4ccccc4cc3c2)cc1 ZINC001174241377 1132294842 /nfs/dbraw/zinc/29/48/42/1132294842.db2.gz QYTZQPYTBSQXBJ-UHFFFAOYSA-N 1 2 349.415 3.779 20 5 EHBDLO CN(Cc1c2ccccc2cc2ccccc21)C(=O)Cc1c[nH+]c[nH]1 ZINC001176831760 1133004740 /nfs/dbraw/zinc/00/47/40/1133004740.db2.gz WTMFWILDKSCUSI-UHFFFAOYSA-N 1 2 329.403 3.917 20 5 EHBDLO Cc1ccc2c(c1)nc(C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])n2C ZINC000769556236 1133314513 /nfs/dbraw/zinc/31/45/13/1133314513.db2.gz PKOJBXNLVGGQDY-UHFFFAOYSA-N 1 2 344.802 3.733 20 5 EHBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1COc2ccccc2O1 ZINC000788464411 1134127787 /nfs/dbraw/zinc/12/77/87/1134127787.db2.gz QMHHYYINQUUICN-AWEZNQCLSA-N 1 2 348.786 3.520 20 5 EHBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1COc2ccccc2O1 ZINC000788464411 1134127790 /nfs/dbraw/zinc/12/77/90/1134127790.db2.gz QMHHYYINQUUICN-AWEZNQCLSA-N 1 2 348.786 3.520 20 5 EHBDLO CC(C)C[N@H+](Cc1ccccn1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001198001058 1135760005 /nfs/dbraw/zinc/76/00/05/1135760005.db2.gz MAOYIWSSWOZWGG-UHFFFAOYSA-N 1 2 344.371 3.556 20 5 EHBDLO CC(C)C[N@@H+](Cc1ccccn1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001198001058 1135760007 /nfs/dbraw/zinc/76/00/07/1135760007.db2.gz MAOYIWSSWOZWGG-UHFFFAOYSA-N 1 2 344.371 3.556 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1Cl ZINC000811518095 1136098133 /nfs/dbraw/zinc/09/81/33/1136098133.db2.gz GLCNEUZUEHBGDX-JKSUJKDBSA-N 1 2 336.819 3.782 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1Cl ZINC000811518095 1136098136 /nfs/dbraw/zinc/09/81/36/1136098136.db2.gz GLCNEUZUEHBGDX-JKSUJKDBSA-N 1 2 336.819 3.782 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cc(F)cnc1Cl ZINC000850470393 1136265191 /nfs/dbraw/zinc/26/51/91/1136265191.db2.gz AFCFVZOJIKJRIF-SECBINFHSA-N 1 2 339.754 3.642 20 5 EHBDLO COc1ccncc1C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000816618972 1136742597 /nfs/dbraw/zinc/74/25/97/1136742597.db2.gz OOUOHSFDCQXMNB-UHFFFAOYSA-N 1 2 342.182 3.595 20 5 EHBDLO C[C@@H]1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000820675851 1137000567 /nfs/dbraw/zinc/00/05/67/1137000567.db2.gz KPDMGMKRBSPYKP-MEBBXXQBSA-N 1 2 338.770 3.671 20 5 EHBDLO Cc1c(CNc2ccc(-n3cc[nH+]c3)c(F)c2)cccc1[N+](=O)[O-] ZINC000864006712 1137211312 /nfs/dbraw/zinc/21/13/12/1137211312.db2.gz PGQHPTKWFNUPSR-UHFFFAOYSA-N 1 2 326.331 3.840 20 5 EHBDLO CCOc1ccc([C@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])cc1OC ZINC000339065993 1137217370 /nfs/dbraw/zinc/21/73/70/1137217370.db2.gz DIIPLWWPMGGKCH-LBPRGKRZSA-N 1 2 346.383 3.559 20 5 EHBDLO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccn(C(C)C)n1 ZINC000872038024 1137566895 /nfs/dbraw/zinc/56/68/95/1137566895.db2.gz JVVXHBAMKIVNQE-LBPRGKRZSA-N 1 2 334.445 3.945 20 5 EHBDLO CC[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)Cc1occc1C ZINC000878710390 1137725820 /nfs/dbraw/zinc/72/58/20/1137725820.db2.gz CSRZVJBCGOVTQS-UHFFFAOYSA-N 1 2 342.355 3.568 20 5 EHBDLO CC[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)Cc1occc1C ZINC000878710390 1137725821 /nfs/dbraw/zinc/72/58/21/1137725821.db2.gz CSRZVJBCGOVTQS-UHFFFAOYSA-N 1 2 342.355 3.568 20 5 EHBDLO Cc1ccc(C[N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)s1 ZINC000076342217 1138130918 /nfs/dbraw/zinc/13/09/18/1138130918.db2.gz GCMRGIHXQYLHOB-UHFFFAOYSA-N 1 2 344.396 3.647 20 5 EHBDLO Cc1ccc(C[N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)s1 ZINC000076342217 1138130920 /nfs/dbraw/zinc/13/09/20/1138130920.db2.gz GCMRGIHXQYLHOB-UHFFFAOYSA-N 1 2 344.396 3.647 20 5 EHBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1nc2c(s1)CCCC2 ZINC000179424125 1139756430 /nfs/dbraw/zinc/75/64/30/1139756430.db2.gz ZXEASGQCXLDTDZ-LLVKDONJSA-N 1 2 347.440 3.790 20 5 EHBDLO Cc1nc([C@H]2CCC[N@@H+]2CCOc2ccccc2[N+](=O)[O-])cs1 ZINC000189774719 1140363466 /nfs/dbraw/zinc/36/34/66/1140363466.db2.gz CFCHUZXYNVVBRG-CQSZACIVSA-N 1 2 333.413 3.576 20 5 EHBDLO Cc1nc([C@H]2CCC[N@H+]2CCOc2ccccc2[N+](=O)[O-])cs1 ZINC000189774719 1140363471 /nfs/dbraw/zinc/36/34/71/1140363471.db2.gz CFCHUZXYNVVBRG-CQSZACIVSA-N 1 2 333.413 3.576 20 5 EHBDLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000023667040 212388853 /nfs/dbraw/zinc/38/88/53/212388853.db2.gz WZLUVDCRXBREHF-LLVKDONJSA-N 1 2 349.337 3.505 20 5 EHBDLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000023667040 212388855 /nfs/dbraw/zinc/38/88/55/212388855.db2.gz WZLUVDCRXBREHF-LLVKDONJSA-N 1 2 349.337 3.505 20 5 EHBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000016564497 518203117 /nfs/dbraw/zinc/20/31/17/518203117.db2.gz HXTJKJRCHYXHPL-UHFFFAOYSA-N 1 2 349.793 3.710 20 5 EHBDLO Cc1c(C[NH2+]Cc2csc(-c3ccccn3)n2)cccc1[N+](=O)[O-] ZINC000336878981 1015974350 /nfs/dbraw/zinc/97/43/50/1015974350.db2.gz KIMMFGHKYSEBEP-UHFFFAOYSA-N 1 2 340.408 3.712 20 5 EHBDLO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3nccn3C(F)F)C2)cc1 ZINC000449498468 1032670101 /nfs/dbraw/zinc/67/01/01/1032670101.db2.gz KQHRRWYLIXNTAK-CYBMUJFWSA-N 1 2 336.342 3.566 20 5 EHBDLO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3nccn3C(F)F)C2)cc1 ZINC000449498468 1032670109 /nfs/dbraw/zinc/67/01/09/1032670109.db2.gz KQHRRWYLIXNTAK-CYBMUJFWSA-N 1 2 336.342 3.566 20 5 EHBDLO Cc1ccc(C[N@H+](CCO)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000783029564 1017918557 /nfs/dbraw/zinc/91/85/57/1017918557.db2.gz ANXZQQYOYKRYKX-UHFFFAOYSA-N 1 2 334.803 3.551 20 5 EHBDLO Cc1ccc(C[N@@H+](CCO)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000783029564 1017918574 /nfs/dbraw/zinc/91/85/74/1017918574.db2.gz ANXZQQYOYKRYKX-UHFFFAOYSA-N 1 2 334.803 3.551 20 5 EHBDLO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)cc1[N+](=O)[O-] ZINC000167958799 1019066526 /nfs/dbraw/zinc/06/65/26/1019066526.db2.gz LZZMVBAYGLEORF-HIFRSBDPSA-N 1 2 343.431 3.804 20 5 EHBDLO Cc1nc2[nH]ccc2c(NCCCCc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000433784329 1019610886 /nfs/dbraw/zinc/61/08/86/1019610886.db2.gz CKUOULMLILVOIT-UHFFFAOYSA-N 1 2 325.372 3.561 20 5 EHBDLO O=[N+]([O-])c1cc(F)ccc1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000340769561 1019971238 /nfs/dbraw/zinc/97/12/38/1019971238.db2.gz CQRMFFUVLVYFGJ-UHFFFAOYSA-N 1 2 332.379 3.627 20 5 EHBDLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175972226 1020237997 /nfs/dbraw/zinc/23/79/97/1020237997.db2.gz ZVYRTYFECYPVTG-UHFFFAOYSA-N 1 2 342.742 3.891 20 5 EHBDLO C[C@H]1c2ccsc2CC[N@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000023854488 1021091348 /nfs/dbraw/zinc/09/13/48/1021091348.db2.gz BFSGMKKOCLFJPE-NSHDSACASA-N 1 2 328.397 3.583 20 5 EHBDLO C[C@H]1c2ccsc2CC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000023854488 1021091355 /nfs/dbraw/zinc/09/13/55/1021091355.db2.gz BFSGMKKOCLFJPE-NSHDSACASA-N 1 2 328.397 3.583 20 5 EHBDLO CC(C)([NH2+][C@@H](c1nnc[nH]1)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000602611882 1033027139 /nfs/dbraw/zinc/02/71/39/1033027139.db2.gz MGTURRKXHWAKMT-MRXNPFEDSA-N 1 2 343.431 3.859 20 5 EHBDLO COc1c(O)ccc(C[NH+]2CC(c3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC000894742295 1022840667 /nfs/dbraw/zinc/84/06/67/1022840667.db2.gz CLBSIXWQEWVTCB-UHFFFAOYSA-N 1 2 348.786 3.562 20 5 EHBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2cc(F)ccc2F)CC1 ZINC000426843187 1023075710 /nfs/dbraw/zinc/07/57/10/1023075710.db2.gz NNJLPLZMVSQMTD-ZDUSSCGKSA-N 1 2 347.365 3.756 20 5 EHBDLO C[N@H+](Cc1cnc(-c2ccccn2)s1)Cc1ccccc1[N+](=O)[O-] ZINC000507155205 1023162336 /nfs/dbraw/zinc/16/23/36/1023162336.db2.gz NMHSRBTZQWKERM-UHFFFAOYSA-N 1 2 340.408 3.745 20 5 EHBDLO C[N@@H+](Cc1cnc(-c2ccccn2)s1)Cc1ccccc1[N+](=O)[O-] ZINC000507155205 1023162338 /nfs/dbraw/zinc/16/23/38/1023162338.db2.gz NMHSRBTZQWKERM-UHFFFAOYSA-N 1 2 340.408 3.745 20 5 EHBDLO CCOc1cc(C[NH2+][C@@H](C)c2csc(CC)n2)ccc1[N+](=O)[O-] ZINC000276870429 1023265600 /nfs/dbraw/zinc/26/56/00/1023265600.db2.gz HLTXLPHFRUKGLW-NSHDSACASA-N 1 2 335.429 3.863 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCn2nc(C(C)C)nc21 ZINC000167974124 1033136435 /nfs/dbraw/zinc/13/64/35/1033136435.db2.gz YZYSAPHMQVNYPT-XJKSGUPXSA-N 1 2 343.431 3.804 20 5 EHBDLO CCn1ccnc1[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000280997799 1024508588 /nfs/dbraw/zinc/50/85/88/1024508588.db2.gz MIKWTBXXQCRXRV-QGZVFWFLSA-N 1 2 328.416 3.847 20 5 EHBDLO CCn1ccnc1[C@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000280997799 1024508597 /nfs/dbraw/zinc/50/85/97/1024508597.db2.gz MIKWTBXXQCRXRV-QGZVFWFLSA-N 1 2 328.416 3.847 20 5 EHBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC000451161082 1025620036 /nfs/dbraw/zinc/62/00/36/1025620036.db2.gz WRNSOMHIBYWUKA-UHFFFAOYSA-N 1 2 348.406 3.554 20 5 EHBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC000451161082 1025620051 /nfs/dbraw/zinc/62/00/51/1025620051.db2.gz WRNSOMHIBYWUKA-UHFFFAOYSA-N 1 2 348.406 3.554 20 5 EHBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@](F)(c4ccccc4)C3)nc2c1 ZINC000516196546 1026106914 /nfs/dbraw/zinc/10/69/14/1026106914.db2.gz ZJZBRQXAPFXRLM-SFHVURJKSA-N 1 2 341.342 3.807 20 5 EHBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@](F)(c4ccccc4)C3)nc2c1 ZINC000516196546 1026106925 /nfs/dbraw/zinc/10/69/25/1026106925.db2.gz ZJZBRQXAPFXRLM-SFHVURJKSA-N 1 2 341.342 3.807 20 5 EHBDLO CCN(C(=O)[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000501841737 1027611842 /nfs/dbraw/zinc/61/18/42/1027611842.db2.gz JJCQGHYWVWMKKY-HNNXBMFYSA-N 1 2 347.459 3.596 20 5 EHBDLO CCN(C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000501841737 1027611850 /nfs/dbraw/zinc/61/18/50/1027611850.db2.gz JJCQGHYWVWMKKY-HNNXBMFYSA-N 1 2 347.459 3.596 20 5 EHBDLO COc1cc(C[N@H+](C)Cc2ccc(F)c(C)c2)c([N+](=O)[O-])cc1F ZINC000444742987 1028227394 /nfs/dbraw/zinc/22/73/94/1028227394.db2.gz XRTOSAPJYDSUGM-UHFFFAOYSA-N 1 2 336.338 3.822 20 5 EHBDLO COc1cc(C[N@@H+](C)Cc2ccc(F)c(C)c2)c([N+](=O)[O-])cc1F ZINC000444742987 1028227409 /nfs/dbraw/zinc/22/74/09/1028227409.db2.gz XRTOSAPJYDSUGM-UHFFFAOYSA-N 1 2 336.338 3.822 20 5 EHBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000502771752 1028655991 /nfs/dbraw/zinc/65/59/91/1028655991.db2.gz YSQSWBFZLIOXRQ-HNNXBMFYSA-N 1 2 343.402 3.613 20 5 EHBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC000502771752 1028655996 /nfs/dbraw/zinc/65/59/96/1028655996.db2.gz YSQSWBFZLIOXRQ-HNNXBMFYSA-N 1 2 343.402 3.613 20 5 EHBDLO COc1ccccc1CC[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509657618 1030378244 /nfs/dbraw/zinc/37/82/44/1030378244.db2.gz KXIHLKCDGOOOCG-UHFFFAOYSA-N 1 2 336.338 3.556 20 5 EHBDLO COc1ccccc1CC[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509657618 1030378263 /nfs/dbraw/zinc/37/82/63/1030378263.db2.gz KXIHLKCDGOOOCG-UHFFFAOYSA-N 1 2 336.338 3.556 20 5 EHBDLO Cc1c(C[N@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)cccc1[N+](=O)[O-] ZINC000246337901 1030452211 /nfs/dbraw/zinc/45/22/11/1030452211.db2.gz DXQPYPRKCVLYDQ-SJKOYZFVSA-N 1 2 332.425 3.927 20 5 EHBDLO Cc1c(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)cccc1[N+](=O)[O-] ZINC000246337901 1030452218 /nfs/dbraw/zinc/45/22/18/1030452218.db2.gz DXQPYPRKCVLYDQ-SJKOYZFVSA-N 1 2 332.425 3.927 20 5 EHBDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000340450359 1030492509 /nfs/dbraw/zinc/49/25/09/1030492509.db2.gz XSGKQTRSSCXVEO-MNOVXSKESA-N 1 2 349.337 3.551 20 5 EHBDLO COCc1cc[nH+]c(N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000593724676 1033865669 /nfs/dbraw/zinc/86/56/69/1033865669.db2.gz GHQOCLPICHDGTD-MRXNPFEDSA-N 1 2 327.384 3.971 20 5 EHBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411936060 1035080535 /nfs/dbraw/zinc/08/05/35/1035080535.db2.gz IITMXRRKPGEREX-HOTGVXAUSA-N 1 2 332.787 3.556 20 5 EHBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411936060 1035080543 /nfs/dbraw/zinc/08/05/43/1035080543.db2.gz IITMXRRKPGEREX-HOTGVXAUSA-N 1 2 332.787 3.556 20 5 EHBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CCC(n2cc[nH+]c2)CC1 ZINC000580988478 1035469416 /nfs/dbraw/zinc/46/94/16/1035469416.db2.gz OLOZZZOBPUXYRO-UHFFFAOYSA-N 1 2 341.198 3.940 20 5 EHBDLO CCOc1cc(C[N@H+](C)Cc2cc(Cl)cn2C)ccc1[N+](=O)[O-] ZINC000492654934 1036115176 /nfs/dbraw/zinc/11/51/76/1036115176.db2.gz OSJQFJLTWSADJP-UHFFFAOYSA-N 1 2 337.807 3.617 20 5 EHBDLO CCOc1cc(C[N@@H+](C)Cc2cc(Cl)cn2C)ccc1[N+](=O)[O-] ZINC000492654934 1036115183 /nfs/dbraw/zinc/11/51/83/1036115183.db2.gz OSJQFJLTWSADJP-UHFFFAOYSA-N 1 2 337.807 3.617 20 5 EHBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000572804025 1036501345 /nfs/dbraw/zinc/50/13/45/1036501345.db2.gz MXCOGPZLTQRZQP-HZPDHXFCSA-N 1 2 336.819 3.782 20 5 EHBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000572804025 1036501361 /nfs/dbraw/zinc/50/13/61/1036501361.db2.gz MXCOGPZLTQRZQP-HZPDHXFCSA-N 1 2 336.819 3.782 20 5 EHBDLO COc1cc(C[N@@H+]2C[C@H](C)[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000464680031 1036654264 /nfs/dbraw/zinc/65/42/64/1036654264.db2.gz YSOMDBLQDICXDY-KPZWWZAWSA-N 1 2 330.359 3.936 20 5 EHBDLO COc1cc(C[N@H+]2C[C@H](C)[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000464680031 1036654271 /nfs/dbraw/zinc/65/42/71/1036654271.db2.gz YSOMDBLQDICXDY-KPZWWZAWSA-N 1 2 330.359 3.936 20 5 EHBDLO COc1ccc2c(c1)CCC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000609145690 1037056892 /nfs/dbraw/zinc/05/68/92/1037056892.db2.gz CHNXYBRCLWGLIS-UHFFFAOYSA-N 1 2 330.359 3.691 20 5 EHBDLO COc1ccc2c(c1)CCC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000609145690 1037056908 /nfs/dbraw/zinc/05/69/08/1037056908.db2.gz CHNXYBRCLWGLIS-UHFFFAOYSA-N 1 2 330.359 3.691 20 5 EHBDLO C[C@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1cccc([N+](=O)[O-])c1 ZINC000090401085 1038048957 /nfs/dbraw/zinc/04/89/57/1038048957.db2.gz KEBMTOIZMYYDLO-LBPRGKRZSA-N 1 2 340.408 3.964 20 5 EHBDLO C[C@@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)c1cscn1 ZINC000697869596 1039620018 /nfs/dbraw/zinc/62/00/18/1039620018.db2.gz AJZGVUZBDYZDDM-MRVPVSSYSA-N 1 2 342.218 3.665 20 5 EHBDLO COc1cc(C[N@@H+]2CCOC3(C2)CCCCCC3)ccc1[N+](=O)[O-] ZINC000489977703 1040284638 /nfs/dbraw/zinc/28/46/38/1040284638.db2.gz KKYYXGRTQZANPL-UHFFFAOYSA-N 1 2 334.416 3.529 20 5 EHBDLO COc1cc(C[N@H+]2CCOC3(C2)CCCCCC3)ccc1[N+](=O)[O-] ZINC000489977703 1040284647 /nfs/dbraw/zinc/28/46/47/1040284647.db2.gz KKYYXGRTQZANPL-UHFFFAOYSA-N 1 2 334.416 3.529 20 5 EHBDLO C[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000614226169 1040761066 /nfs/dbraw/zinc/76/10/66/1040761066.db2.gz ZSMZLKNTNZNNPK-MWLCHTKSSA-N 1 2 343.305 3.899 20 5 EHBDLO C[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000614226169 1040761082 /nfs/dbraw/zinc/76/10/82/1040761082.db2.gz ZSMZLKNTNZNNPK-MWLCHTKSSA-N 1 2 343.305 3.899 20 5 EHBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CC3(C2)CCCO3)s1 ZINC000600189484 1040799458 /nfs/dbraw/zinc/79/94/58/1040799458.db2.gz KGOLLWCSFNFUHW-UHFFFAOYSA-N 1 2 330.409 3.688 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000301433720 1127889374 /nfs/dbraw/zinc/88/93/74/1127889374.db2.gz IERVCHSREOQLAL-UHFFFAOYSA-N 1 2 326.331 3.840 20 5 EHBDLO COC[C@@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000494826135 1120870341 /nfs/dbraw/zinc/87/03/41/1120870341.db2.gz VCYCCTMGXRMROX-OAHLLOKOSA-N 1 2 338.766 3.865 20 5 EHBDLO C[N@@H+](Cc1ccc(F)c(Cl)c1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000762104440 1121109354 /nfs/dbraw/zinc/10/93/54/1121109354.db2.gz DGKLELQWJYWYAN-UHFFFAOYSA-N 1 2 348.765 3.827 20 5 EHBDLO C[N@H+](Cc1ccc(F)c(Cl)c1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000762104440 1121109359 /nfs/dbraw/zinc/10/93/59/1121109359.db2.gz DGKLELQWJYWYAN-UHFFFAOYSA-N 1 2 348.765 3.827 20 5 EHBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCCC(C)(C)C1 ZINC000497415773 1122545047 /nfs/dbraw/zinc/54/50/47/1122545047.db2.gz HSYWWNXUMPVTMN-LLVKDONJSA-N 1 2 339.823 3.697 20 5 EHBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCCC(C)(C)C1 ZINC000497415773 1122545052 /nfs/dbraw/zinc/54/50/52/1122545052.db2.gz HSYWWNXUMPVTMN-LLVKDONJSA-N 1 2 339.823 3.697 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000763433563 1122992265 /nfs/dbraw/zinc/99/22/65/1122992265.db2.gz KYFKVWZLSQFJHP-LJQANCHMSA-N 1 2 342.395 3.558 20 5 EHBDLO Cc1cccn2cc(CCNc3ccc([N+](=O)[O-])c4cnccc34)[nH+]c12 ZINC000080675838 1124982209 /nfs/dbraw/zinc/98/22/09/1124982209.db2.gz AJMPBWPNJPKUQI-UHFFFAOYSA-N 1 2 347.378 3.754 20 5 EHBDLO Cc1cc(C)c(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c(C)[nH+]1 ZINC000182498027 1125316018 /nfs/dbraw/zinc/31/60/18/1125316018.db2.gz CASDQMHUQCYMMY-LLVKDONJSA-N 1 2 331.347 3.796 20 5 EHBDLO Cn1c2ccc(Nc3ncccc3[N+](=O)[O-])cc2[nH+]c1C(C)(C)C ZINC000301841059 1129190410 /nfs/dbraw/zinc/19/04/10/1129190410.db2.gz BKONNAWRAOYRNH-UHFFFAOYSA-N 1 2 325.372 3.918 20 5 EHBDLO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1nc(-c2ccncc2)cs1 ZINC000124079017 1129579082 /nfs/dbraw/zinc/57/90/82/1129579082.db2.gz MXUHEJORYASVER-LBPRGKRZSA-N 1 2 340.408 3.964 20 5 EHBDLO CC(C)c1ccc(C[NH2+][C@@H](c2ncccn2)C2CC2)cc1[N+](=O)[O-] ZINC000922583493 1129583221 /nfs/dbraw/zinc/58/32/21/1129583221.db2.gz UAGXWNAVGKGKAM-QGZVFWFLSA-N 1 2 326.400 3.749 20 5 EHBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)Cc1cccs1 ZINC000038407013 1130057415 /nfs/dbraw/zinc/05/74/15/1130057415.db2.gz FNCOQCMPUIROKW-NSHDSACASA-N 1 2 344.396 3.899 20 5 EHBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)Cc1cccs1 ZINC000038407013 1130057418 /nfs/dbraw/zinc/05/74/18/1130057418.db2.gz FNCOQCMPUIROKW-NSHDSACASA-N 1 2 344.396 3.899 20 5 EHBDLO CN(C)c1ccc([N@@H+]2c3ccccc3C=C3C(=O)C(N)=CC=C32)cc1 ZINC001174879515 1132494035 /nfs/dbraw/zinc/49/40/35/1132494035.db2.gz XCVXPPRDXULPIM-UHFFFAOYSA-N 1 2 329.403 3.744 20 5 EHBDLO CN(C)c1ccc([N@H+]2c3ccccc3C=C3C(=O)C(N)=CC=C32)cc1 ZINC001174879515 1132494042 /nfs/dbraw/zinc/49/40/42/1132494042.db2.gz XCVXPPRDXULPIM-UHFFFAOYSA-N 1 2 329.403 3.744 20 5 EHBDLO O=[N+]([O-])c1cccc(Br)c1C[NH2+]Cc1ccc(F)cc1 ZINC001177093890 1133031365 /nfs/dbraw/zinc/03/13/65/1133031365.db2.gz VEDUDOXWNTZSRY-UHFFFAOYSA-N 1 2 339.164 3.786 20 5 EHBDLO O=[N+]([O-])c1cc(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)ccc1Cl ZINC000768548396 1133159089 /nfs/dbraw/zinc/15/90/89/1133159089.db2.gz BLKNTTKBCUSCCX-UHFFFAOYSA-N 1 2 342.786 3.724 20 5 EHBDLO O=[N+]([O-])c1cccc(Br)c1C[NH+]1CCC(C(F)F)CC1 ZINC000769445801 1133291417 /nfs/dbraw/zinc/29/14/17/1133291417.db2.gz JXUBKTCGJUCNQS-UHFFFAOYSA-N 1 2 349.175 3.834 20 5 EHBDLO CC(=O)c1cc(NCc2ccc(-n3cc[nH+]c3)cc2)ccc1[N+](=O)[O-] ZINC000786804038 1133908633 /nfs/dbraw/zinc/90/86/33/1133908633.db2.gz DZJMQPHHQWRVCW-UHFFFAOYSA-N 1 2 336.351 3.595 20 5 EHBDLO Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)cc1 ZINC001193932697 1135201424 /nfs/dbraw/zinc/20/14/24/1135201424.db2.gz RLJPSAMBSKZFRR-GDBMZVCRSA-N 1 2 326.396 3.987 20 5 EHBDLO Cc1ccc([C@@H]2C[C@@H](C)[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)cc1 ZINC001193932697 1135201430 /nfs/dbraw/zinc/20/14/30/1135201430.db2.gz RLJPSAMBSKZFRR-GDBMZVCRSA-N 1 2 326.396 3.987 20 5 EHBDLO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(-n2cc[nH+]c2)c(C)c1 ZINC001136625152 1137073166 /nfs/dbraw/zinc/07/31/66/1137073166.db2.gz ZMUZASJFHCPWKO-UHFFFAOYSA-N 1 2 336.351 3.650 20 5 EHBDLO O=[N+]([O-])c1cc(F)c(NCc2ccccc2Cn2cc[nH+]c2)c(F)c1 ZINC000348189608 1137452100 /nfs/dbraw/zinc/45/21/00/1137452100.db2.gz XCEGQPROCFXGMO-UHFFFAOYSA-N 1 2 344.321 3.730 20 5 EHBDLO COc1cc(C[N@@H+]2CCC[C@@H]2c2cncc(C)c2)c([N+](=O)[O-])cc1F ZINC000879750536 1137757875 /nfs/dbraw/zinc/75/78/75/1137757875.db2.gz WNYDAHLOQPRDAK-MRXNPFEDSA-N 1 2 345.374 3.783 20 5 EHBDLO COc1cc(C[N@H+]2CCC[C@@H]2c2cncc(C)c2)c([N+](=O)[O-])cc1F ZINC000879750536 1137757876 /nfs/dbraw/zinc/75/78/76/1137757876.db2.gz WNYDAHLOQPRDAK-MRXNPFEDSA-N 1 2 345.374 3.783 20 5 EHBDLO COc1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2F)cc1[N+](=O)[O-] ZINC000883383377 1137858539 /nfs/dbraw/zinc/85/85/39/1137858539.db2.gz XKPDHMHZLKMNMT-CRAIPNDOSA-N 1 2 330.359 3.719 20 5 EHBDLO Cc1nc(N2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)sc1C ZINC000332475042 1137944912 /nfs/dbraw/zinc/94/49/12/1137944912.db2.gz UTKSLQQNROMNJA-CYBMUJFWSA-N 1 2 346.456 3.551 20 5 EHBDLO Cc1ccc(C[N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)s1 ZINC000076342185 1138130879 /nfs/dbraw/zinc/13/08/79/1138130879.db2.gz BZEYBHRDIRPKAX-UHFFFAOYSA-N 1 2 344.396 3.647 20 5 EHBDLO Cc1ccc(C[N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)s1 ZINC000076342185 1138130880 /nfs/dbraw/zinc/13/08/80/1138130880.db2.gz BZEYBHRDIRPKAX-UHFFFAOYSA-N 1 2 344.396 3.647 20 5 EHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccncc1F ZINC000338358744 1138854568 /nfs/dbraw/zinc/85/45/68/1138854568.db2.gz TVNZKWBFPKLUEZ-GFCCVEGCSA-N 1 2 333.363 3.767 20 5 EHBDLO Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000179653673 1139772595 /nfs/dbraw/zinc/77/25/95/1139772595.db2.gz MUZWIJUYMRQKMH-UHFFFAOYSA-N 1 2 341.411 3.591 20 5 EHBDLO Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000179653673 1139772602 /nfs/dbraw/zinc/77/26/02/1139772602.db2.gz MUZWIJUYMRQKMH-UHFFFAOYSA-N 1 2 341.411 3.591 20 5 EHBDLO COc1cc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1F ZINC000184225040 1140088211 /nfs/dbraw/zinc/08/82/11/1140088211.db2.gz HERKUGNWXPGBFC-SNVBAGLBSA-N 1 2 336.285 3.517 20 5 EHBDLO COc1cc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1F ZINC000184225040 1140088218 /nfs/dbraw/zinc/08/82/18/1140088218.db2.gz HERKUGNWXPGBFC-SNVBAGLBSA-N 1 2 336.285 3.517 20 5 EHBDLO CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1nnc2n1CCCCC2 ZINC000266838992 1140728307 /nfs/dbraw/zinc/72/83/07/1140728307.db2.gz GGBBYGCSVIDVAA-CZUORRHYSA-N 1 2 343.431 3.715 20 5 EHBDLO Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2C)c1C ZINC000183236309 1125480969 /nfs/dbraw/zinc/48/09/69/1125480969.db2.gz FNXMAFAAUPPVAU-UHFFFAOYSA-N 1 2 341.411 3.591 20 5 EHBDLO Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)c1C ZINC000183236309 1125480973 /nfs/dbraw/zinc/48/09/73/1125480973.db2.gz FNXMAFAAUPPVAU-UHFFFAOYSA-N 1 2 341.411 3.591 20 5 EHBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1nc(C(F)(F)F)cs1 ZINC000274611386 1014325461 /nfs/dbraw/zinc/32/54/61/1014325461.db2.gz NMNSOCGWXLFPRO-QMMMGPOBSA-N 1 2 331.319 3.921 20 5 EHBDLO C[C@]1(c2ccccc2)C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000536673621 1032106260 /nfs/dbraw/zinc/10/62/60/1032106260.db2.gz RNPNAYHKQYJOTI-FHVRUZERSA-N 1 2 338.407 3.856 20 5 EHBDLO C[C@]1(c2ccccc2)C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000536673621 1032106269 /nfs/dbraw/zinc/10/62/69/1032106269.db2.gz RNPNAYHKQYJOTI-FHVRUZERSA-N 1 2 338.407 3.856 20 5 EHBDLO CC[N@H+](Cc1occc1C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000414555223 1016973233 /nfs/dbraw/zinc/97/32/33/1016973233.db2.gz WLYPZQMWXNTQLI-UHFFFAOYSA-N 1 2 334.372 3.536 20 5 EHBDLO CC[N@@H+](Cc1occc1C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000414555223 1016973246 /nfs/dbraw/zinc/97/32/46/1016973246.db2.gz WLYPZQMWXNTQLI-UHFFFAOYSA-N 1 2 334.372 3.536 20 5 EHBDLO Cc1nc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])nc2ccccc12 ZINC000516313887 1021291470 /nfs/dbraw/zinc/29/14/70/1021291470.db2.gz YRIHTXRKWJHOQM-MRXNPFEDSA-N 1 2 334.379 3.624 20 5 EHBDLO CC(C)N(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCCC1 ZINC000171441496 1022405981 /nfs/dbraw/zinc/40/59/81/1022405981.db2.gz PZFDULZJPLLZMH-UHFFFAOYSA-N 1 2 342.399 3.574 20 5 EHBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC(C(F)F)CC2)c1 ZINC000539837453 1025376519 /nfs/dbraw/zinc/37/65/19/1025376519.db2.gz DGBQGQODGUZSPP-UHFFFAOYSA-N 1 2 336.285 3.673 20 5 EHBDLO CSc1cccc(C(=O)Nc2c(C)cc(C)[nH+]c2C)c1[N+](=O)[O-] ZINC000186052054 1026192357 /nfs/dbraw/zinc/19/23/57/1026192357.db2.gz ROXSUCVKCDDHMO-UHFFFAOYSA-N 1 2 331.397 3.889 20 5 EHBDLO Cc1ccccc1C[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000025916826 1026456132 /nfs/dbraw/zinc/45/61/32/1026456132.db2.gz FFCMCCUWPSAXPC-UHFFFAOYSA-N 1 2 338.367 3.585 20 5 EHBDLO Cc1ccccc1C[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000025916826 1026456145 /nfs/dbraw/zinc/45/61/45/1026456145.db2.gz FFCMCCUWPSAXPC-UHFFFAOYSA-N 1 2 338.367 3.585 20 5 EHBDLO C[C@@H]1c2ccsc2CC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000016420616 1028436513 /nfs/dbraw/zinc/43/65/13/1028436513.db2.gz ZNKWAIWACRBHHW-LLVKDONJSA-N 1 2 346.408 3.642 20 5 EHBDLO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000016420616 1028436519 /nfs/dbraw/zinc/43/65/19/1028436519.db2.gz ZNKWAIWACRBHHW-LLVKDONJSA-N 1 2 346.408 3.642 20 5 EHBDLO CC(C)c1nnc([C@H](C)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)[nH]1 ZINC000278610979 1031636989 /nfs/dbraw/zinc/63/69/89/1031636989.db2.gz FPTGUAMYFAPEHT-XHDPSFHLSA-N 1 2 329.404 3.565 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1nc(C2CC2)cs1 ZINC000595021736 1033614544 /nfs/dbraw/zinc/61/45/44/1033614544.db2.gz FOEKEOFAZZRJCH-JTQLQIEISA-N 1 2 333.413 3.788 20 5 EHBDLO Cc1noc(C[NH2+][C@@H](C)c2ccc(OCC3CC3)c(F)c2)c1[N+](=O)[O-] ZINC000595420114 1033793015 /nfs/dbraw/zinc/79/30/15/1033793015.db2.gz NTAQDJHPFDTSDP-JTQLQIEISA-N 1 2 349.362 3.670 20 5 EHBDLO Cc1noc(C[N@@H+](C)[C@H]2C[C@H](Oc3ccccc3)C2(C)C)c1[N+](=O)[O-] ZINC000595494432 1033831642 /nfs/dbraw/zinc/83/16/42/1033831642.db2.gz BMZWXAJAOBHNRM-HOTGVXAUSA-N 1 2 345.399 3.569 20 5 EHBDLO Cc1noc(C[N@H+](C)[C@H]2C[C@H](Oc3ccccc3)C2(C)C)c1[N+](=O)[O-] ZINC000595494432 1033831653 /nfs/dbraw/zinc/83/16/53/1033831653.db2.gz BMZWXAJAOBHNRM-HOTGVXAUSA-N 1 2 345.399 3.569 20 5 EHBDLO Cc1noc(C[N@@H+]2CC3(CC=CC3)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595570909 1033846169 /nfs/dbraw/zinc/84/61/69/1033846169.db2.gz ZXLXKOMZXIOJKA-KRWDZBQOSA-N 1 2 325.368 3.785 20 5 EHBDLO Cc1noc(C[N@H+]2CC3(CC=CC3)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595570909 1033846187 /nfs/dbraw/zinc/84/61/87/1033846187.db2.gz ZXLXKOMZXIOJKA-KRWDZBQOSA-N 1 2 325.368 3.785 20 5 EHBDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000603847281 1033971812 /nfs/dbraw/zinc/97/18/12/1033971812.db2.gz NMSRWLWRHNLBPE-ZDUSSCGKSA-N 1 2 346.818 3.526 20 5 EHBDLO Cc1[nH+]cc(CN(C)Cc2ccccc2[N+](=O)[O-])n1-c1ccccc1 ZINC000179315871 1034107864 /nfs/dbraw/zinc/10/78/64/1034107864.db2.gz YVHIIQOUAWWOQE-UHFFFAOYSA-N 1 2 336.395 3.721 20 5 EHBDLO CC(C)(C)c1ccc(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)cc1[N+](=O)[O-] ZINC000375941908 1034968215 /nfs/dbraw/zinc/96/82/15/1034968215.db2.gz QHFVVYUISRVEGD-LBPRGKRZSA-N 1 2 342.399 3.674 20 5 EHBDLO O=[N+]([O-])c1c(NCc2ccc(-n3cc[nH+]c3)cc2)ccc2ncccc21 ZINC000066372268 1035424150 /nfs/dbraw/zinc/42/41/50/1035424150.db2.gz ZOFUDHURIWHXGJ-UHFFFAOYSA-N 1 2 345.362 3.941 20 5 EHBDLO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000595557359 1036006504 /nfs/dbraw/zinc/00/65/04/1036006504.db2.gz HNRIKGRIXJRPQD-UHFFFAOYSA-N 1 2 336.260 3.600 20 5 EHBDLO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1cccc(O)c1 ZINC000535556560 1036647521 /nfs/dbraw/zinc/64/75/21/1036647521.db2.gz XFRBGVPDPAFUJK-UHFFFAOYSA-N 1 2 339.351 3.587 20 5 EHBDLO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1cccc(O)c1 ZINC000535556560 1036647540 /nfs/dbraw/zinc/64/75/40/1036647540.db2.gz XFRBGVPDPAFUJK-UHFFFAOYSA-N 1 2 339.351 3.587 20 5 EHBDLO COc1ccc[nH+]c1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000539564284 1036923778 /nfs/dbraw/zinc/92/37/78/1036923778.db2.gz RRGVXTLUHWFVFV-UHFFFAOYSA-N 1 2 342.380 3.734 20 5 EHBDLO C[N@@H+](Cc1ccon1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000539818792 1037238210 /nfs/dbraw/zinc/23/82/10/1037238210.db2.gz AEWNHKLXGRQBII-UHFFFAOYSA-N 1 2 329.381 3.943 20 5 EHBDLO C[N@H+](Cc1ccon1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000539818792 1037238221 /nfs/dbraw/zinc/23/82/21/1037238221.db2.gz AEWNHKLXGRQBII-UHFFFAOYSA-N 1 2 329.381 3.943 20 5 EHBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000477867125 1038975783 /nfs/dbraw/zinc/97/57/83/1038975783.db2.gz UCLYAVFFGZLFPM-UHFFFAOYSA-N 1 2 334.416 3.529 20 5 EHBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOC2(C1)CCCCCC2 ZINC000477867125 1038975795 /nfs/dbraw/zinc/97/57/95/1038975795.db2.gz UCLYAVFFGZLFPM-UHFFFAOYSA-N 1 2 334.416 3.529 20 5 EHBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000015377409 1039302692 /nfs/dbraw/zinc/30/26/92/1039302692.db2.gz YGJSJRAYGULSIU-CQSZACIVSA-N 1 2 329.375 3.617 20 5 EHBDLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000015441327 1039536474 /nfs/dbraw/zinc/53/64/74/1039536474.db2.gz YCZUBGZDERFZCW-OAHLLOKOSA-N 1 2 341.411 3.843 20 5 EHBDLO Cc1cccc(C)c1NC(=O)C[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000015441327 1039536492 /nfs/dbraw/zinc/53/64/92/1039536492.db2.gz YCZUBGZDERFZCW-OAHLLOKOSA-N 1 2 341.411 3.843 20 5 EHBDLO C[C@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000614226167 1040760075 /nfs/dbraw/zinc/76/00/75/1040760075.db2.gz ZSMZLKNTNZNNPK-GXSJLCMTSA-N 1 2 343.305 3.899 20 5 EHBDLO C[C@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000614226167 1040760087 /nfs/dbraw/zinc/76/00/87/1040760087.db2.gz ZSMZLKNTNZNNPK-GXSJLCMTSA-N 1 2 343.305 3.899 20 5 EHBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000024864294 1040828886 /nfs/dbraw/zinc/82/88/86/1040828886.db2.gz IRHXPXBSRRLUMO-NSHDSACASA-N 1 2 349.337 3.505 20 5 EHBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000024864294 1040828899 /nfs/dbraw/zinc/82/88/99/1040828899.db2.gz IRHXPXBSRRLUMO-NSHDSACASA-N 1 2 349.337 3.505 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)cs1 ZINC000047265023 1041101262 /nfs/dbraw/zinc/10/12/62/1041101262.db2.gz QGEUEOZXMWCTTJ-CYBMUJFWSA-N 1 2 338.454 3.899 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@H+](Cc2cccs2)C[C@H]2CCCO2)cs1 ZINC000047265023 1041101271 /nfs/dbraw/zinc/10/12/71/1041101271.db2.gz QGEUEOZXMWCTTJ-CYBMUJFWSA-N 1 2 338.454 3.899 20 5 EHBDLO COCC[N@H+](Cc1cccs1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000541995013 1043002713 /nfs/dbraw/zinc/00/27/13/1043002713.db2.gz BWEGQXDYVFKCHP-UHFFFAOYSA-N 1 2 340.832 3.958 20 5 EHBDLO COCC[N@@H+](Cc1cccs1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000541995013 1043002719 /nfs/dbraw/zinc/00/27/19/1043002719.db2.gz BWEGQXDYVFKCHP-UHFFFAOYSA-N 1 2 340.832 3.958 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1 ZINC000076180785 1125599479 /nfs/dbraw/zinc/59/94/79/1125599479.db2.gz QSBCCTVEPFXNIG-PHIMTYICSA-N 1 2 342.239 3.767 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1 ZINC000076180785 1125599485 /nfs/dbraw/zinc/59/94/85/1125599485.db2.gz QSBCCTVEPFXNIG-PHIMTYICSA-N 1 2 342.239 3.767 20 5 EHBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](c1ncc(C)s1)C1CC1 ZINC000185285273 1126853212 /nfs/dbraw/zinc/85/32/12/1126853212.db2.gz ZVAGJAWOHVPEMQ-HNNXBMFYSA-N 1 2 333.413 3.609 20 5 EHBDLO CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(C[N@H+](C)CC(C)C)c1=S ZINC000764930614 1127553912 /nfs/dbraw/zinc/55/39/12/1127553912.db2.gz OMCXZVITTNOJEG-UHFFFAOYSA-N 1 2 349.460 3.554 20 5 EHBDLO CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(C[N@@H+](C)CC(C)C)c1=S ZINC000764930614 1127553915 /nfs/dbraw/zinc/55/39/15/1127553915.db2.gz OMCXZVITTNOJEG-UHFFFAOYSA-N 1 2 349.460 3.554 20 5 EHBDLO COCc1ccc([C@H]2CCC[N@@H+]2Cc2c(F)cccc2[N+](=O)[O-])o1 ZINC000131298999 1127566038 /nfs/dbraw/zinc/56/60/38/1127566038.db2.gz IWSMVEROTYZCTJ-MRXNPFEDSA-N 1 2 334.347 3.810 20 5 EHBDLO COCc1ccc([C@H]2CCC[N@H+]2Cc2c(F)cccc2[N+](=O)[O-])o1 ZINC000131298999 1127566041 /nfs/dbraw/zinc/56/60/41/1127566041.db2.gz IWSMVEROTYZCTJ-MRXNPFEDSA-N 1 2 334.347 3.810 20 5 EHBDLO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000347644230 1128510362 /nfs/dbraw/zinc/51/03/62/1128510362.db2.gz FHKONTFDKRZZEV-HNNXBMFYSA-N 1 2 338.766 3.601 20 5 EHBDLO C[C@@H](c1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1)C(C)(C)C ZINC000762146925 1121126186 /nfs/dbraw/zinc/12/61/86/1121126186.db2.gz LKBREMBWMLOWGM-NSHDSACASA-N 1 2 341.371 3.980 20 5 EHBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000916151297 1122081253 /nfs/dbraw/zinc/08/12/53/1122081253.db2.gz FFUAZCCWMZXTJZ-UONOGXRCSA-N 1 2 339.395 3.541 20 5 EHBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000916151297 1122081258 /nfs/dbraw/zinc/08/12/58/1122081258.db2.gz FFUAZCCWMZXTJZ-UONOGXRCSA-N 1 2 339.395 3.541 20 5 EHBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCCC(C)(C)C1 ZINC000497415776 1122545671 /nfs/dbraw/zinc/54/56/71/1122545671.db2.gz HSYWWNXUMPVTMN-NSHDSACASA-N 1 2 339.823 3.697 20 5 EHBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCCC(C)(C)C1 ZINC000497415776 1122545675 /nfs/dbraw/zinc/54/56/75/1122545675.db2.gz HSYWWNXUMPVTMN-NSHDSACASA-N 1 2 339.823 3.697 20 5 EHBDLO Cn1ccnc1[C@H]([NH2+]C/C=C/c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000556885640 1123166095 /nfs/dbraw/zinc/16/60/95/1123166095.db2.gz QHRCKSSRBCHOQD-MBNRZODZSA-N 1 2 348.406 3.721 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)cs1 ZINC000079503413 1123698907 /nfs/dbraw/zinc/69/89/07/1123698907.db2.gz PLUFXRUHHWXNQL-QGZVFWFLSA-N 1 2 346.452 3.880 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)cs1 ZINC000079503413 1123698909 /nfs/dbraw/zinc/69/89/09/1123698909.db2.gz PLUFXRUHHWXNQL-QGZVFWFLSA-N 1 2 346.452 3.880 20 5 EHBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000610003890 1123711348 /nfs/dbraw/zinc/71/13/48/1123711348.db2.gz MZNXMBKVPSNFGI-GFCCVEGCSA-N 1 2 330.359 3.862 20 5 EHBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000610003890 1123711350 /nfs/dbraw/zinc/71/13/50/1123711350.db2.gz MZNXMBKVPSNFGI-GFCCVEGCSA-N 1 2 330.359 3.862 20 5 EHBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3ccccc3)o2)cc1[N+](=O)[O-] ZINC000181831439 1125054349 /nfs/dbraw/zinc/05/43/49/1125054349.db2.gz LJXZQQAUUDHYOL-CYBMUJFWSA-N 1 2 338.367 3.804 20 5 EHBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@@H](COc3ccccc3)C2)c(F)c1 ZINC000508993683 1129624804 /nfs/dbraw/zinc/62/48/04/1129624804.db2.gz ZTJHUXUECOCCOP-CYBMUJFWSA-N 1 2 348.349 3.774 20 5 EHBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@@H](COc3ccccc3)C2)c(F)c1 ZINC000508993683 1129624806 /nfs/dbraw/zinc/62/48/06/1129624806.db2.gz ZTJHUXUECOCCOP-CYBMUJFWSA-N 1 2 348.349 3.774 20 5 EHBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)c(F)c1 ZINC000508990334 1129625230 /nfs/dbraw/zinc/62/52/30/1129625230.db2.gz JTGULZVCEJPSLD-AWEZNQCLSA-N 1 2 347.365 3.950 20 5 EHBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)c(F)c1 ZINC000508990334 1129625233 /nfs/dbraw/zinc/62/52/33/1129625233.db2.gz JTGULZVCEJPSLD-AWEZNQCLSA-N 1 2 347.365 3.950 20 5 EHBDLO C[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1nc(C(C)(C)C)no1 ZINC000174661698 1130375431 /nfs/dbraw/zinc/37/54/31/1130375431.db2.gz IKPKWODTNKJFHK-YPUOHESYSA-N 1 2 330.388 3.639 20 5 EHBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1 ZINC001176797594 1132998897 /nfs/dbraw/zinc/99/88/97/1132998897.db2.gz AUTGHWMPIWCNDV-XQQFMLRXSA-N 1 2 345.365 3.613 20 5 EHBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1 ZINC001176797594 1132998901 /nfs/dbraw/zinc/99/89/01/1132998901.db2.gz AUTGHWMPIWCNDV-XQQFMLRXSA-N 1 2 345.365 3.613 20 5 EHBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cscc3Cl)CC2)cc1 ZINC000768152683 1133101834 /nfs/dbraw/zinc/10/18/34/1133101834.db2.gz SQZLFWFKYLPSEM-UHFFFAOYSA-N 1 2 337.832 3.632 20 5 EHBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2ccc(F)c(F)c2F)c1 ZINC001178175837 1133139019 /nfs/dbraw/zinc/13/90/19/1133139019.db2.gz BIVMTVHJKYZPJP-UHFFFAOYSA-N 1 2 330.693 3.955 20 5 EHBDLO CC[C@@H]1C[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])CCS1 ZINC000769447861 1133292457 /nfs/dbraw/zinc/29/24/57/1133292457.db2.gz ZABQPYHFPBCODI-SNVBAGLBSA-N 1 2 345.262 3.685 20 5 EHBDLO CC[C@@H]1C[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])CCS1 ZINC000769447861 1133292460 /nfs/dbraw/zinc/29/24/60/1133292460.db2.gz ZABQPYHFPBCODI-SNVBAGLBSA-N 1 2 345.262 3.685 20 5 EHBDLO C[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccc2[nH]c(=O)oc2c1 ZINC001196574068 1135585125 /nfs/dbraw/zinc/58/51/25/1135585125.db2.gz MQHCIMUKZUQTRH-MRVPVSSYSA-N 1 2 349.293 3.571 20 5 EHBDLO CC[C@@]1(O)CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001196833932 1135616333 /nfs/dbraw/zinc/61/63/33/1135616333.db2.gz VLBVANBDWRDLBX-CQSZACIVSA-N 1 2 333.215 3.639 20 5 EHBDLO CC[C@@]1(O)CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001196833932 1135616336 /nfs/dbraw/zinc/61/63/36/1135616336.db2.gz VLBVANBDWRDLBX-CQSZACIVSA-N 1 2 333.215 3.639 20 5 EHBDLO Cc1[nH]c([C@H]2CCCN2Cc2c(F)cc([N+](=O)[O-])cc2F)[nH+]c1C ZINC001197710241 1135728191 /nfs/dbraw/zinc/72/81/91/1135728191.db2.gz GGHLSZAIAKXMDS-OAHLLOKOSA-N 1 2 336.342 3.550 20 5 EHBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH+]1CCC(CCCO)CC1 ZINC000809974658 1135907269 /nfs/dbraw/zinc/90/72/69/1135907269.db2.gz HBYWDBCPLAQQEM-UHFFFAOYSA-N 1 2 347.242 3.886 20 5 EHBDLO CO[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[C@H]1C ZINC000809984857 1135908576 /nfs/dbraw/zinc/90/85/76/1135908576.db2.gz AYXNAZUUHMNPBW-RNCFNFMXSA-N 1 2 333.215 3.758 20 5 EHBDLO CO[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[C@H]1C ZINC000809984857 1135908579 /nfs/dbraw/zinc/90/85/79/1135908579.db2.gz AYXNAZUUHMNPBW-RNCFNFMXSA-N 1 2 333.215 3.758 20 5 EHBDLO C[C@H]([NH2+]Cc1nc(C(F)(F)F)cs1)c1cccc([N+](=O)[O-])c1 ZINC000173436383 1137114010 /nfs/dbraw/zinc/11/40/10/1137114010.db2.gz DGMFFVKZNOJOCN-QMMMGPOBSA-N 1 2 331.319 3.921 20 5 EHBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000825133922 1137166858 /nfs/dbraw/zinc/16/68/58/1137166858.db2.gz QERDCVMOQORGFV-HNNXBMFYSA-N 1 2 345.226 3.904 20 5 EHBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000825133922 1137166859 /nfs/dbraw/zinc/16/68/59/1137166859.db2.gz QERDCVMOQORGFV-HNNXBMFYSA-N 1 2 345.226 3.904 20 5 EHBDLO Cc1cccn2c(CN(C)Cc3cc([N+](=O)[O-])ccc3Cl)c[nH+]c12 ZINC000121874743 1137387677 /nfs/dbraw/zinc/38/76/77/1137387677.db2.gz UONIDOKMAODJPF-UHFFFAOYSA-N 1 2 344.802 3.836 20 5 EHBDLO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])CCO2 ZINC000872063639 1137569127 /nfs/dbraw/zinc/56/91/27/1137569127.db2.gz RAYXFLRIFWRZPJ-NHYWBVRUSA-N 1 2 346.358 3.917 20 5 EHBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@H](O)C[C@H]2c2ccccc2)c1 ZINC000877674965 1137685385 /nfs/dbraw/zinc/68/53/85/1137685385.db2.gz YCHUWRWITYDSGB-WMZOPIPTSA-N 1 2 346.814 3.946 20 5 EHBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H](O)C[C@H]2c2ccccc2)c1 ZINC000877674965 1137685386 /nfs/dbraw/zinc/68/53/86/1137685386.db2.gz YCHUWRWITYDSGB-WMZOPIPTSA-N 1 2 346.814 3.946 20 5 EHBDLO C[C@@H]1c2sccc2CC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000880378219 1137777291 /nfs/dbraw/zinc/77/72/91/1137777291.db2.gz QOCUVJVXZVGLIG-LLVKDONJSA-N 1 2 346.408 3.642 20 5 EHBDLO C[C@@H]1c2sccc2CC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000880378219 1137777292 /nfs/dbraw/zinc/77/72/92/1137777292.db2.gz QOCUVJVXZVGLIG-LLVKDONJSA-N 1 2 346.408 3.642 20 5 EHBDLO CC(C)COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccco1 ZINC000282996277 1138416036 /nfs/dbraw/zinc/41/60/36/1138416036.db2.gz FGOYONNEEUTUHN-HNNXBMFYSA-N 1 2 336.363 3.830 20 5 EHBDLO O=C(Nc1ccsc1Cl)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000186954171 1014627203 /nfs/dbraw/zinc/62/72/03/1014627203.db2.gz VWKXZOMNUSKMIK-UHFFFAOYSA-N 1 2 348.771 3.748 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+]C1(c2nccs2)CCCC1 ZINC000430193624 1014755741 /nfs/dbraw/zinc/75/57/41/1014755741.db2.gz GVESIKGIMBDSGR-UHFFFAOYSA-N 1 2 333.413 3.619 20 5 EHBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000459763220 1032468363 /nfs/dbraw/zinc/46/83/63/1032468363.db2.gz YJHAAYYLSZUTRK-QGZVFWFLSA-N 1 2 340.427 3.836 20 5 EHBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000459763220 1032468368 /nfs/dbraw/zinc/46/83/68/1032468368.db2.gz YJHAAYYLSZUTRK-QGZVFWFLSA-N 1 2 340.427 3.836 20 5 EHBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000513371167 1019589908 /nfs/dbraw/zinc/58/99/08/1019589908.db2.gz MMZVUPCSSVKYHD-UHFFFAOYSA-N 1 2 347.365 3.585 20 5 EHBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000513371167 1019589923 /nfs/dbraw/zinc/58/99/23/1019589923.db2.gz MMZVUPCSSVKYHD-UHFFFAOYSA-N 1 2 347.365 3.585 20 5 EHBDLO O=[N+]([O-])c1cccc(Cl)c1N1CC[NH+](Cc2ccccc2)CC1 ZINC000309714708 1020862047 /nfs/dbraw/zinc/86/20/47/1020862047.db2.gz KJMRMGPWYAEEDD-UHFFFAOYSA-N 1 2 331.803 3.570 20 5 EHBDLO Cc1csc(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000602508990 1032942834 /nfs/dbraw/zinc/94/28/34/1032942834.db2.gz DWTGNAGFNXJGOJ-UHFFFAOYSA-N 1 2 331.319 3.668 20 5 EHBDLO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCc4ncsc4C3)o2)c1 ZINC000438365295 1022595930 /nfs/dbraw/zinc/59/59/30/1022595930.db2.gz BFRHQMLWTQZYPY-UHFFFAOYSA-N 1 2 341.392 3.870 20 5 EHBDLO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCc4ncsc4C3)o2)c1 ZINC000438365295 1022595938 /nfs/dbraw/zinc/59/59/38/1022595938.db2.gz BFRHQMLWTQZYPY-UHFFFAOYSA-N 1 2 341.392 3.870 20 5 EHBDLO COCc1ccc([C@H]2CCC[N@@H+]2Cc2cc([N+](=O)[O-])ccc2OC)o1 ZINC000131141629 1022601035 /nfs/dbraw/zinc/60/10/35/1022601035.db2.gz LHCHBVNNJMFUBD-MRXNPFEDSA-N 1 2 346.383 3.680 20 5 EHBDLO COCc1ccc([C@H]2CCC[N@H+]2Cc2cc([N+](=O)[O-])ccc2OC)o1 ZINC000131141629 1022601041 /nfs/dbraw/zinc/60/10/41/1022601041.db2.gz LHCHBVNNJMFUBD-MRXNPFEDSA-N 1 2 346.383 3.680 20 5 EHBDLO Cn1c[nH+]c(CCNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000840327219 1024972632 /nfs/dbraw/zinc/97/26/32/1024972632.db2.gz NQCAACPESKEDBO-UHFFFAOYSA-N 1 2 348.712 3.655 20 5 EHBDLO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3nnc(C4CC4)s3)C2)cc1 ZINC000451548478 1026100387 /nfs/dbraw/zinc/10/03/87/1026100387.db2.gz NOGYRJJOMUHJGE-AWEZNQCLSA-N 1 2 344.440 3.703 20 5 EHBDLO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3nnc(C4CC4)s3)C2)cc1 ZINC000451548478 1026100394 /nfs/dbraw/zinc/10/03/94/1026100394.db2.gz NOGYRJJOMUHJGE-AWEZNQCLSA-N 1 2 344.440 3.703 20 5 EHBDLO CCOc1cc(C[N@H+](C)Cc2cnc(C(C)C)nc2)ccc1[N+](=O)[O-] ZINC000440464345 1028058561 /nfs/dbraw/zinc/05/85/61/1028058561.db2.gz HNEWIJOULBCKHX-UHFFFAOYSA-N 1 2 344.415 3.539 20 5 EHBDLO CCOc1cc(C[N@@H+](C)Cc2cnc(C(C)C)nc2)ccc1[N+](=O)[O-] ZINC000440464345 1028058583 /nfs/dbraw/zinc/05/85/83/1028058583.db2.gz HNEWIJOULBCKHX-UHFFFAOYSA-N 1 2 344.415 3.539 20 5 EHBDLO CSc1ccc(C(=O)Nc2c(C)cc(C)[nH+]c2C)cc1[N+](=O)[O-] ZINC000192679946 1031133064 /nfs/dbraw/zinc/13/30/64/1031133064.db2.gz JLOABXBHUFITKN-UHFFFAOYSA-N 1 2 331.397 3.889 20 5 EHBDLO CCOc1ccc(C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000052689942 1031160112 /nfs/dbraw/zinc/16/01/12/1031160112.db2.gz SDLQMPXZEVBVGW-UHFFFAOYSA-N 1 2 340.383 3.502 20 5 EHBDLO CCOc1ccc(C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000052689942 1031160132 /nfs/dbraw/zinc/16/01/32/1031160132.db2.gz SDLQMPXZEVBVGW-UHFFFAOYSA-N 1 2 340.383 3.502 20 5 EHBDLO C[C@H]([NH2+]Cc1ncc(C(F)(F)F)s1)c1cccc([N+](=O)[O-])c1 ZINC000278612092 1031642463 /nfs/dbraw/zinc/64/24/63/1031642463.db2.gz ITJWGOLTHILWKS-QMMMGPOBSA-N 1 2 331.319 3.921 20 5 EHBDLO Cc1cc(Nc2ncc([N+](=O)[O-])s2)c[nH+]c1N1CCCC[C@@H]1C ZINC000409733094 1033454378 /nfs/dbraw/zinc/45/43/78/1033454378.db2.gz IIQMOSSPWKKNMZ-NSHDSACASA-N 1 2 333.417 3.877 20 5 EHBDLO Cc1noc(C[N@H+]2CCS[C@@H](C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595320153 1033741351 /nfs/dbraw/zinc/74/13/51/1033741351.db2.gz DVDHSQGHVBNXPC-LRDDRELGSA-N 1 2 333.413 3.570 20 5 EHBDLO Cc1noc(C[N@@H+]2CCS[C@@H](C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595320153 1033741365 /nfs/dbraw/zinc/74/13/65/1033741365.db2.gz DVDHSQGHVBNXPC-LRDDRELGSA-N 1 2 333.413 3.570 20 5 EHBDLO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC000697652357 1033930954 /nfs/dbraw/zinc/93/09/54/1033930954.db2.gz RIGCCQHHQWGKQD-SECBINFHSA-N 1 2 349.175 3.977 20 5 EHBDLO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC000697652357 1033930961 /nfs/dbraw/zinc/93/09/61/1033930961.db2.gz RIGCCQHHQWGKQD-SECBINFHSA-N 1 2 349.175 3.977 20 5 EHBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccco2)c1 ZINC000595718535 1033962259 /nfs/dbraw/zinc/96/22/59/1033962259.db2.gz UOHDURSVHABBLX-KRWDZBQOSA-N 1 2 328.368 3.542 20 5 EHBDLO O=[N+]([O-])c1cccc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccco2)c1 ZINC000595718535 1033962272 /nfs/dbraw/zinc/96/22/72/1033962272.db2.gz UOHDURSVHABBLX-KRWDZBQOSA-N 1 2 328.368 3.542 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000595913197 1034028362 /nfs/dbraw/zinc/02/83/62/1034028362.db2.gz CSGKLQZGAHOAET-BFQNTYOBSA-N 1 2 328.359 3.709 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000595913197 1034028379 /nfs/dbraw/zinc/02/83/79/1034028379.db2.gz CSGKLQZGAHOAET-BFQNTYOBSA-N 1 2 328.359 3.709 20 5 EHBDLO Cn1ccnc1[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000580844561 1035458431 /nfs/dbraw/zinc/45/84/31/1035458431.db2.gz QNPJRONRJCKDQF-HKUYNNGSSA-N 1 2 348.406 3.695 20 5 EHBDLO CCn1c(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])nc2c1cccc2F ZINC000271708245 1036958745 /nfs/dbraw/zinc/95/87/45/1036958745.db2.gz ISQQOEMGEVSPEK-GFCCVEGCSA-N 1 2 342.374 3.954 20 5 EHBDLO COc1cccc2c1CC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC000761532564 1037109759 /nfs/dbraw/zinc/10/97/59/1037109759.db2.gz LBUGZLSNHXIZMF-UHFFFAOYSA-N 1 2 332.787 3.815 20 5 EHBDLO COc1cccc2c1CC[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC000761532564 1037109766 /nfs/dbraw/zinc/10/97/66/1037109766.db2.gz LBUGZLSNHXIZMF-UHFFFAOYSA-N 1 2 332.787 3.815 20 5 EHBDLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000130112141 1037267425 /nfs/dbraw/zinc/26/74/25/1037267425.db2.gz NBAHFJFMTSMHOO-UHFFFAOYSA-N 1 2 347.334 3.514 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN([C@H](C)c2ccsc2)CC1 ZINC000463051947 1037704128 /nfs/dbraw/zinc/70/41/28/1037704128.db2.gz GEIYGLTWTPCUBT-OAHLLOKOSA-N 1 2 345.468 3.844 20 5 EHBDLO CC[N@H+](C)CCN[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000481245375 1040544480 /nfs/dbraw/zinc/54/44/80/1040544480.db2.gz IHYVTQOTWFBEHF-CYBMUJFWSA-N 1 2 333.457 3.926 20 5 EHBDLO CC[N@@H+](C)CCN[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000481245375 1040544484 /nfs/dbraw/zinc/54/44/84/1040544484.db2.gz IHYVTQOTWFBEHF-CYBMUJFWSA-N 1 2 333.457 3.926 20 5 EHBDLO C[N@H+](CCCOc1ccccc1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509853699 1041209019 /nfs/dbraw/zinc/20/90/19/1041209019.db2.gz MHNMAATVNIJMFL-UHFFFAOYSA-N 1 2 336.338 3.774 20 5 EHBDLO C[N@@H+](CCCOc1ccccc1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509853699 1041209031 /nfs/dbraw/zinc/20/90/31/1041209031.db2.gz MHNMAATVNIJMFL-UHFFFAOYSA-N 1 2 336.338 3.774 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000183381310 1125541395 /nfs/dbraw/zinc/54/13/95/1125541395.db2.gz MBTWCLVYGLKWIZ-GUYCJALGSA-N 1 2 332.425 3.927 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000183381310 1125541402 /nfs/dbraw/zinc/54/14/02/1125541402.db2.gz MBTWCLVYGLKWIZ-GUYCJALGSA-N 1 2 332.425 3.927 20 5 EHBDLO CC(C)C[C@H](c1nc(-c2ccc([N+](=O)[O-])s2)no1)n1cc[nH+]c1 ZINC000924005014 1121166716 /nfs/dbraw/zinc/16/67/16/1121166716.db2.gz JROLBFVZMMNYGK-SNVBAGLBSA-N 1 2 333.373 3.538 20 5 EHBDLO Cn1ccnc1[C@@H]([NH2+]C/C=C/c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000556885637 1123165952 /nfs/dbraw/zinc/16/59/52/1123165952.db2.gz QHRCKSSRBCHOQD-AIADIJKESA-N 1 2 348.406 3.721 20 5 EHBDLO Cc1occc1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000609598812 1123619243 /nfs/dbraw/zinc/61/92/43/1123619243.db2.gz SUJHZNSQYPJSEG-UHFFFAOYSA-N 1 2 329.381 3.910 20 5 EHBDLO CC[C@@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000609625672 1123628187 /nfs/dbraw/zinc/62/81/87/1123628187.db2.gz MXDKQSNTEFKMLX-QGZVFWFLSA-N 1 2 339.395 3.543 20 5 EHBDLO CC[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000609625672 1123628189 /nfs/dbraw/zinc/62/81/89/1123628189.db2.gz MXDKQSNTEFKMLX-QGZVFWFLSA-N 1 2 339.395 3.543 20 5 EHBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@H](COc3ccccc3)C2)c(F)c1 ZINC000508993686 1129624748 /nfs/dbraw/zinc/62/47/48/1129624748.db2.gz ZTJHUXUECOCCOP-ZDUSSCGKSA-N 1 2 348.349 3.774 20 5 EHBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@H](COc3ccccc3)C2)c(F)c1 ZINC000508993686 1129624749 /nfs/dbraw/zinc/62/47/49/1129624749.db2.gz ZTJHUXUECOCCOP-ZDUSSCGKSA-N 1 2 348.349 3.774 20 5 EHBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000057450258 1129902664 /nfs/dbraw/zinc/90/26/64/1129902664.db2.gz QJKPWBIVXDZNIK-UHFFFAOYSA-N 1 2 331.803 3.570 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1cccc(Cl)c1 ZINC000008120087 1130018382 /nfs/dbraw/zinc/01/83/82/1130018382.db2.gz FFJIMSZOXRMPIF-UHFFFAOYSA-N 1 2 347.802 3.627 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1cccc(Cl)c1 ZINC000008120087 1130018389 /nfs/dbraw/zinc/01/83/89/1130018389.db2.gz FFJIMSZOXRMPIF-UHFFFAOYSA-N 1 2 347.802 3.627 20 5 EHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1CO[NH+]=C(N)Cc1cccs1 ZINC000731029613 1130762438 /nfs/dbraw/zinc/76/24/38/1130762438.db2.gz YZCRLVMQJMIGMJ-UHFFFAOYSA-N 1 2 349.412 3.685 20 5 EHBDLO CC(C)C[C@@H]1CC(=O)N(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000744433096 1132097040 /nfs/dbraw/zinc/09/70/40/1132097040.db2.gz UHRSGCSEYSDMDG-QGZVFWFLSA-N 1 2 347.459 3.657 20 5 EHBDLO CC(C)C[C@@H]1CC(=O)N(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000744433096 1132097046 /nfs/dbraw/zinc/09/70/46/1132097046.db2.gz UHRSGCSEYSDMDG-QGZVFWFLSA-N 1 2 347.459 3.657 20 5 EHBDLO CN(C)c1ccc(Nc2cc3nc4ccccc4nc3cc2N)c[nH+]1 ZINC001175344106 1132627187 /nfs/dbraw/zinc/62/71/87/1132627187.db2.gz UNUSNVPIELXVHY-UHFFFAOYSA-N 1 2 330.395 3.570 20 5 EHBDLO C[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1cc2cnccc2o1 ZINC001175637869 1132719761 /nfs/dbraw/zinc/71/97/61/1132719761.db2.gz DFOYBYQGMPLSLA-VIFPVBQESA-N 1 2 333.294 3.865 20 5 EHBDLO C[N@H+](CCOC(C)(C)C)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000767772979 1133051483 /nfs/dbraw/zinc/05/14/83/1133051483.db2.gz UMZPNAGJZWRFIS-UHFFFAOYSA-N 1 2 339.417 3.576 20 5 EHBDLO C[N@@H+](CCOC(C)(C)C)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000767772979 1133051487 /nfs/dbraw/zinc/05/14/87/1133051487.db2.gz UMZPNAGJZWRFIS-UHFFFAOYSA-N 1 2 339.417 3.576 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000769390145 1133275551 /nfs/dbraw/zinc/27/55/51/1133275551.db2.gz QUCYEKXXYOTHSJ-UHFFFAOYSA-N 1 2 330.359 3.819 20 5 EHBDLO O=[N+]([O-])c1cc(Cl)c(N2CCC[C@@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000772041560 1133632063 /nfs/dbraw/zinc/63/20/63/1133632063.db2.gz KHSQHHMGTUWYME-SNVBAGLBSA-N 1 2 341.198 3.940 20 5 EHBDLO COC(=O)c1ccc(C[N@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000746655322 1133963118 /nfs/dbraw/zinc/96/31/18/1133963118.db2.gz ORJAKGHVJSDTMO-UHFFFAOYSA-N 1 2 348.786 3.667 20 5 EHBDLO COC(=O)c1ccc(C[N@@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000746655322 1133963126 /nfs/dbraw/zinc/96/31/26/1133963126.db2.gz ORJAKGHVJSDTMO-UHFFFAOYSA-N 1 2 348.786 3.667 20 5 EHBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])Cc2ccccc21 ZINC000774819445 1134029682 /nfs/dbraw/zinc/02/96/82/1134029682.db2.gz LQQHNZYAGRQSEX-LBPRGKRZSA-N 1 2 327.340 3.622 20 5 EHBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])Cc2ccccc21 ZINC000774819445 1134029690 /nfs/dbraw/zinc/02/96/90/1134029690.db2.gz LQQHNZYAGRQSEX-LBPRGKRZSA-N 1 2 327.340 3.622 20 5 EHBDLO O=[N+]([O-])c1ncccc1C[N@H+](CCc1ccccc1)Cc1cccnc1 ZINC001194083138 1135227566 /nfs/dbraw/zinc/22/75/66/1135227566.db2.gz PUCSISOPHQQZOT-UHFFFAOYSA-N 1 2 348.406 3.630 20 5 EHBDLO O=[N+]([O-])c1ncccc1C[N@@H+](CCc1ccccc1)Cc1cccnc1 ZINC001194083138 1135227568 /nfs/dbraw/zinc/22/75/68/1135227568.db2.gz PUCSISOPHQQZOT-UHFFFAOYSA-N 1 2 348.406 3.630 20 5 EHBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CCCC[C@@H]1CCO ZINC000809942950 1135903088 /nfs/dbraw/zinc/90/30/88/1135903088.db2.gz QNZXHQMNIKIYJB-GFCCVEGCSA-N 1 2 333.215 3.639 20 5 EHBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CCCC[C@@H]1CCO ZINC000809942950 1135903090 /nfs/dbraw/zinc/90/30/90/1135903090.db2.gz QNZXHQMNIKIYJB-GFCCVEGCSA-N 1 2 333.215 3.639 20 5 EHBDLO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809986132 1135909229 /nfs/dbraw/zinc/90/92/29/1135909229.db2.gz ZICUABJOWSWSTN-RULNRJAQSA-N 1 2 347.242 3.883 20 5 EHBDLO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809986132 1135909232 /nfs/dbraw/zinc/90/92/32/1135909232.db2.gz ZICUABJOWSWSTN-RULNRJAQSA-N 1 2 347.242 3.883 20 5 EHBDLO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809986129 1135909235 /nfs/dbraw/zinc/90/92/35/1135909235.db2.gz ZICUABJOWSWSTN-BFVZDQMLSA-N 1 2 347.242 3.883 20 5 EHBDLO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809986129 1135909237 /nfs/dbraw/zinc/90/92/37/1135909237.db2.gz ZICUABJOWSWSTN-BFVZDQMLSA-N 1 2 347.242 3.883 20 5 EHBDLO COc1ccc([C@@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C2CC2)cc1 ZINC000339074618 1137358568 /nfs/dbraw/zinc/35/85/68/1137358568.db2.gz HWSCUZIRHYZHJC-SFHVURJKSA-N 1 2 328.368 3.550 20 5 EHBDLO C[C@@H]([NH2+]Cc1ncc(Br)s1)c1ccc([N+](=O)[O-])cc1 ZINC000714926218 1137474378 /nfs/dbraw/zinc/47/43/78/1137474378.db2.gz VMYDLGCQYSIROL-MRVPVSSYSA-N 1 2 342.218 3.665 20 5 EHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC001171734733 1137510606 /nfs/dbraw/zinc/51/06/06/1137510606.db2.gz KJUWIIZPYNLJCD-HNNXBMFYSA-N 1 2 348.443 3.916 20 5 EHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC001171734733 1137510607 /nfs/dbraw/zinc/51/06/07/1137510607.db2.gz KJUWIIZPYNLJCD-HNNXBMFYSA-N 1 2 348.443 3.916 20 5 EHBDLO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000872075464 1137569880 /nfs/dbraw/zinc/56/98/80/1137569880.db2.gz CTZJCPJXJDBJIT-COPLHBTASA-N 1 2 332.429 3.870 20 5 EHBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1nnc(C(C)(C)C)s1 ZINC000873076495 1137589565 /nfs/dbraw/zinc/58/95/65/1137589565.db2.gz NWXZYHNYZSCPSY-UHFFFAOYSA-N 1 2 334.445 3.650 20 5 EHBDLO C[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1C(C)(C)C)n1cc[nH+]c1 ZINC000876343110 1137649329 /nfs/dbraw/zinc/64/93/29/1137649329.db2.gz MDBCANDQQIPRTI-GFCCVEGCSA-N 1 2 330.388 3.679 20 5 EHBDLO CCC[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000282909571 1137941055 /nfs/dbraw/zinc/94/10/55/1137941055.db2.gz XGCCVHMAMJHSJP-OAHLLOKOSA-N 1 2 331.420 3.572 20 5 EHBDLO O=[N+]([O-])c1ncccc1C[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000886138507 1138051241 /nfs/dbraw/zinc/05/12/41/1138051241.db2.gz LXOCHRBGICGLAC-UHFFFAOYSA-N 1 2 345.349 3.947 20 5 EHBDLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184288966 1140092891 /nfs/dbraw/zinc/09/28/91/1140092891.db2.gz BXSKTINBDPPDGL-HNNXBMFYSA-N 1 2 333.363 3.721 20 5 EHBDLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184288966 1140092895 /nfs/dbraw/zinc/09/28/95/1140092895.db2.gz BXSKTINBDPPDGL-HNNXBMFYSA-N 1 2 333.363 3.721 20 5 EHBDLO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000271071858 1141304266 /nfs/dbraw/zinc/30/42/66/1141304266.db2.gz MHBAAAVEZVJJGB-UHFFFAOYSA-N 1 2 330.432 3.795 20 5 EHBDLO Cc1nn(C(C)(C)C)c(C)c1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000271071858 1141304273 /nfs/dbraw/zinc/30/42/73/1141304273.db2.gz MHBAAAVEZVJJGB-UHFFFAOYSA-N 1 2 330.432 3.795 20 5 EHBDLO Cc1ccc([C@@H](C)NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000602115180 1032658655 /nfs/dbraw/zinc/65/86/55/1032658655.db2.gz GOXCFISICBENQK-RHSMWYFYSA-N 1 2 344.415 3.564 20 5 EHBDLO COC[C@@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccco1 ZINC000177573028 1017693234 /nfs/dbraw/zinc/69/32/34/1017693234.db2.gz OKTQDCFUWXNDKT-MRXNPFEDSA-N 1 2 342.351 3.925 20 5 EHBDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000366389346 1020657241 /nfs/dbraw/zinc/65/72/41/1020657241.db2.gz PJXQTFWDILMIGF-OAHLLOKOSA-N 1 2 334.807 3.627 20 5 EHBDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000366389346 1020657246 /nfs/dbraw/zinc/65/72/46/1020657246.db2.gz PJXQTFWDILMIGF-OAHLLOKOSA-N 1 2 334.807 3.627 20 5 EHBDLO Cc1ccc(-c2noc([C@H](CC(C)C)n3cc[nH+]c3)n2)cc1[N+](=O)[O-] ZINC000923822372 1032970213 /nfs/dbraw/zinc/97/02/13/1032970213.db2.gz VJKVSXLCLQYNMK-HNNXBMFYSA-N 1 2 341.371 3.785 20 5 EHBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCOC[C@H]1Cc1ccccc1 ZINC000507685693 1021434132 /nfs/dbraw/zinc/43/41/32/1021434132.db2.gz ULEVWCKOYIUJQE-ZAOIQFLMSA-N 1 2 338.407 3.552 20 5 EHBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCOC[C@H]1Cc1ccccc1 ZINC000507685693 1021434138 /nfs/dbraw/zinc/43/41/38/1021434138.db2.gz ULEVWCKOYIUJQE-ZAOIQFLMSA-N 1 2 338.407 3.552 20 5 EHBDLO Cc1cccc2c1OCC[C@H]2[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602645019 1033035969 /nfs/dbraw/zinc/03/59/69/1033035969.db2.gz NVCORLXAXPXHTE-CQSZACIVSA-N 1 2 339.351 3.658 20 5 EHBDLO Cc1ccc2c(ccnc2N(C(N)=[NH2+])c2ccc(F)cc2)c1[N+](=O)[O-] ZINC001167990406 1022261304 /nfs/dbraw/zinc/26/13/04/1022261304.db2.gz SWGLMMMOCOOODB-UHFFFAOYSA-N 1 2 339.330 3.622 20 5 EHBDLO CCO[C@@H]1C[C@@H]1[NH2+][C@@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000517675273 1022538255 /nfs/dbraw/zinc/53/82/55/1022538255.db2.gz KJFFZTVCTFFGLT-CGTJXYLNSA-N 1 2 330.384 3.607 20 5 EHBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2cc(F)ccc2F)CC1 ZINC000426876656 1023094416 /nfs/dbraw/zinc/09/44/16/1023094416.db2.gz VDZCDJHTVZOUQO-CYBMUJFWSA-N 1 2 347.365 3.756 20 5 EHBDLO O=[N+]([O-])c1cccc(F)c1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000341723055 1023161717 /nfs/dbraw/zinc/16/17/17/1023161717.db2.gz QBAHMQWXFKJQRW-UHFFFAOYSA-N 1 2 330.363 3.731 20 5 EHBDLO O=C(Nc1cccc2[nH]ccc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000338875868 1026231172 /nfs/dbraw/zinc/23/11/72/1026231172.db2.gz ZLWAMCLTSYGVJR-UHFFFAOYSA-N 1 2 347.334 3.514 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000339097950 1026375167 /nfs/dbraw/zinc/37/51/67/1026375167.db2.gz YAQWVQGZCJAXLB-NSHDSACASA-N 1 2 334.322 3.568 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000339097950 1026375178 /nfs/dbraw/zinc/37/51/78/1026375178.db2.gz YAQWVQGZCJAXLB-NSHDSACASA-N 1 2 334.322 3.568 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000339125829 1026388650 /nfs/dbraw/zinc/38/86/50/1026388650.db2.gz YEZBELUWKXEAKN-RDJZCZTQSA-N 1 2 348.786 3.574 20 5 EHBDLO CCO[C@@H]1C[C@H]([N@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)C1(C)C ZINC000509670494 1028734681 /nfs/dbraw/zinc/73/46/81/1028734681.db2.gz JTKQXWLZDZRZEB-LSDHHAIUSA-N 1 2 328.359 3.508 20 5 EHBDLO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)C1(C)C ZINC000509670494 1028734695 /nfs/dbraw/zinc/73/46/95/1028734695.db2.gz JTKQXWLZDZRZEB-LSDHHAIUSA-N 1 2 328.359 3.508 20 5 EHBDLO Cc1ccc(C)c(N2CC[NH+](Cc3ccc(F)cc3[N+](=O)[O-])CC2)c1 ZINC001167653083 1028902725 /nfs/dbraw/zinc/90/27/25/1028902725.db2.gz FFRBDOHVUNADSL-UHFFFAOYSA-N 1 2 343.402 3.673 20 5 EHBDLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000340444194 1030375895 /nfs/dbraw/zinc/37/58/95/1030375895.db2.gz GXBKNPKOZFICBI-QWRGUYRKSA-N 1 2 349.337 3.551 20 5 EHBDLO CCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CCCCC1 ZINC000448659694 1031424435 /nfs/dbraw/zinc/42/44/35/1031424435.db2.gz WJMOWDLPTQKDIS-UHFFFAOYSA-N 1 2 342.399 3.575 20 5 EHBDLO CC(C)Oc1ccnc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000593020916 1033824258 /nfs/dbraw/zinc/82/42/58/1033824258.db2.gz SRNRNRKQTSOVEP-UHFFFAOYSA-N 1 2 341.411 3.942 20 5 EHBDLO CC(C)Oc1ccnc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000593020916 1033824275 /nfs/dbraw/zinc/82/42/75/1033824275.db2.gz SRNRNRKQTSOVEP-UHFFFAOYSA-N 1 2 341.411 3.942 20 5 EHBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]Cc2ccc(Cl)o2)c1 ZINC000604532166 1034413876 /nfs/dbraw/zinc/41/38/76/1034413876.db2.gz CBLKVLJYRCUERO-UHFFFAOYSA-N 1 2 332.690 3.732 20 5 EHBDLO COc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C2CC2)cc1 ZINC000491902238 1037758353 /nfs/dbraw/zinc/75/83/53/1037758353.db2.gz QVTOVSIXDGRUJW-UHFFFAOYSA-N 1 2 330.359 3.907 20 5 EHBDLO COc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C2CC2)cc1 ZINC000491902238 1037758365 /nfs/dbraw/zinc/75/83/65/1037758365.db2.gz QVTOVSIXDGRUJW-UHFFFAOYSA-N 1 2 330.359 3.907 20 5 EHBDLO O=[N+]([O-])c1ccc(NCc2cccc(Cn3cc[nH+]c3)c2)c(F)c1 ZINC000029585216 1040731969 /nfs/dbraw/zinc/73/19/69/1040731969.db2.gz FFMBUALLVZWKHM-UHFFFAOYSA-N 1 2 326.331 3.591 20 5 EHBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)c(F)c1 ZINC000586763187 1041003607 /nfs/dbraw/zinc/00/36/07/1041003607.db2.gz APLAWYSPFKLWEK-GOSISDBHSA-N 1 2 348.349 3.837 20 5 EHBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)c(F)c1 ZINC000586763187 1041003622 /nfs/dbraw/zinc/00/36/22/1041003622.db2.gz APLAWYSPFKLWEK-GOSISDBHSA-N 1 2 348.349 3.837 20 5 EHBDLO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H](CO)c1c(F)cccc1F)CCC2 ZINC000278877598 1042810090 /nfs/dbraw/zinc/81/00/90/1042810090.db2.gz XMRMGWIFYRBOLW-DLBZAZTESA-N 1 2 348.349 3.574 20 5 EHBDLO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1nc2ccc(Cl)cc2n1C ZINC000091372537 1128653900 /nfs/dbraw/zinc/65/39/00/1128653900.db2.gz YGJLUENZYLTGBW-LLVKDONJSA-N 1 2 344.802 3.986 20 5 EHBDLO CCn1nc(C)c(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1C ZINC000154308176 1122542901 /nfs/dbraw/zinc/54/29/01/1122542901.db2.gz ZLKMJDYHVWNSDB-UHFFFAOYSA-N 1 2 328.416 3.593 20 5 EHBDLO CCn1nc(C)c(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1C ZINC000154308176 1122542905 /nfs/dbraw/zinc/54/29/05/1122542905.db2.gz ZLKMJDYHVWNSDB-UHFFFAOYSA-N 1 2 328.416 3.593 20 5 EHBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3ncc[nH]3)o2)c(Cl)c1 ZINC000610150917 1123736830 /nfs/dbraw/zinc/73/68/30/1123736830.db2.gz KWEFOQSSPZQXAD-UHFFFAOYSA-N 1 2 332.747 3.521 20 5 EHBDLO O=[N+]([O-])c1ccc(NCCCCNc2cccc[nH+]2)c2ncccc12 ZINC000078615944 1129172287 /nfs/dbraw/zinc/17/22/87/1129172287.db2.gz GZTPPAXDEFVXOK-UHFFFAOYSA-N 1 2 337.383 3.842 20 5 EHBDLO Cc1cccc(NCc2cc[nH+]c(N3CCCCC3)c2)c1[N+](=O)[O-] ZINC000302501902 1129780463 /nfs/dbraw/zinc/78/04/63/1129780463.db2.gz OYZKYLDHAMINSD-UHFFFAOYSA-N 1 2 326.400 3.901 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000245443390 1130208916 /nfs/dbraw/zinc/20/89/16/1130208916.db2.gz XCOIRLPZFSWKNE-LIRRHRJNSA-N 1 2 339.395 3.535 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000245443390 1130208920 /nfs/dbraw/zinc/20/89/20/1130208920.db2.gz XCOIRLPZFSWKNE-LIRRHRJNSA-N 1 2 339.395 3.535 20 5 EHBDLO C[C@H](Cn1cc[nH+]c1)Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000774516149 1133695468 /nfs/dbraw/zinc/69/54/68/1133695468.db2.gz QBWOIQJCUHJBFZ-MRVPVSSYSA-N 1 2 348.712 3.964 20 5 EHBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(F)c1F ZINC000792875789 1134809587 /nfs/dbraw/zinc/80/95/87/1134809587.db2.gz KBCGAPHSMJYCGE-SECBINFHSA-N 1 2 337.282 3.632 20 5 EHBDLO O=C(Oc1cccc(C2CC2)c1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001130129977 1135249240 /nfs/dbraw/zinc/24/92/40/1135249240.db2.gz GMQPQAHWUXYZNC-UHFFFAOYSA-N 1 2 349.346 3.877 20 5 EHBDLO CC1(C)C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])Cc2ccccc2O1 ZINC001194816712 1135325830 /nfs/dbraw/zinc/32/58/30/1135325830.db2.gz FEOCFMCROOGMKQ-UHFFFAOYSA-N 1 2 330.359 3.907 20 5 EHBDLO CC1(C)C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])Cc2ccccc2O1 ZINC001194816712 1135325837 /nfs/dbraw/zinc/32/58/37/1135325837.db2.gz FEOCFMCROOGMKQ-UHFFFAOYSA-N 1 2 330.359 3.907 20 5 EHBDLO Cc1cc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cs1 ZINC000806022430 1135369358 /nfs/dbraw/zinc/36/93/58/1135369358.db2.gz XEAYHMAMDOHKSE-UHFFFAOYSA-N 1 2 343.364 3.507 20 5 EHBDLO C[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccc2[nH]c(=O)oc2c1 ZINC001196574073 1135584949 /nfs/dbraw/zinc/58/49/49/1135584949.db2.gz MQHCIMUKZUQTRH-QMMMGPOBSA-N 1 2 349.293 3.571 20 5 EHBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000810093372 1135920409 /nfs/dbraw/zinc/92/04/09/1135920409.db2.gz NHOHCOODRRVCHO-HOTGVXAUSA-N 1 2 336.819 3.782 20 5 EHBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000810093372 1135920411 /nfs/dbraw/zinc/92/04/11/1135920411.db2.gz NHOHCOODRRVCHO-HOTGVXAUSA-N 1 2 336.819 3.782 20 5 EHBDLO C[C@@H](Nc1ccc(N2CCCCC2)[nH+]c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815614641 1136618989 /nfs/dbraw/zinc/61/89/89/1136618989.db2.gz WYTYCTXNUFBZIP-CYBMUJFWSA-N 1 2 341.415 3.735 20 5 EHBDLO Cc1cc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC001135145292 1136623694 /nfs/dbraw/zinc/62/36/94/1136623694.db2.gz NZGVZNSCMPBOEY-INIZCTEOSA-N 1 2 347.802 3.798 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000339097948 1137477035 /nfs/dbraw/zinc/47/70/35/1137477035.db2.gz YAQWVQGZCJAXLB-LLVKDONJSA-N 1 2 334.322 3.568 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000339097948 1137477036 /nfs/dbraw/zinc/47/70/36/1137477036.db2.gz YAQWVQGZCJAXLB-LLVKDONJSA-N 1 2 334.322 3.568 20 5 EHBDLO C[C@H]([NH2+]Cc1ccnc(C(F)(F)F)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872075085 1137569899 /nfs/dbraw/zinc/56/98/99/1137569899.db2.gz NSIUDYIBXZKASU-VIFPVBQESA-N 1 2 343.280 3.999 20 5 EHBDLO COc1cccnc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872079138 1137570184 /nfs/dbraw/zinc/57/01/84/1137570184.db2.gz VFRNPXBURBSHFP-LLVKDONJSA-N 1 2 333.413 3.571 20 5 EHBDLO CC(C)c1c[nH]c(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000883105425 1137844680 /nfs/dbraw/zinc/84/46/80/1137844680.db2.gz JRUKZGBNXOXDFC-UHFFFAOYSA-N 1 2 342.321 3.750 20 5 EHBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cccnc3Cl)CC2)cc1 ZINC000174243015 1139408901 /nfs/dbraw/zinc/40/89/01/1139408901.db2.gz RGJHIKCGUPHLPB-UHFFFAOYSA-N 1 2 347.802 3.687 20 5 EHBDLO CCc1ccc([C@@H](COC)[NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000174482194 1139423424 /nfs/dbraw/zinc/42/34/24/1139423424.db2.gz UWNWIPRDYSUTDM-CQSZACIVSA-N 1 2 338.791 3.881 20 5 EHBDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000175410669 1139489062 /nfs/dbraw/zinc/48/90/62/1139489062.db2.gz HZKPQBBQDVNODM-NPMABZOXSA-N 1 2 332.425 3.525 20 5 EHBDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000175410669 1139489065 /nfs/dbraw/zinc/48/90/65/1139489065.db2.gz HZKPQBBQDVNODM-NPMABZOXSA-N 1 2 332.425 3.525 20 5 EHBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H](CO)c1ccc(Cl)cc1 ZINC000449452106 1032570137 /nfs/dbraw/zinc/57/01/37/1032570137.db2.gz KAHBJCHCJBDRPN-INIZCTEOSA-N 1 2 338.766 3.553 20 5 EHBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H](CO)c1ccc(Cl)cc1 ZINC000449452106 1032570141 /nfs/dbraw/zinc/57/01/41/1032570141.db2.gz KAHBJCHCJBDRPN-INIZCTEOSA-N 1 2 338.766 3.553 20 5 EHBDLO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3ccn(C(F)F)n3)C2)cc1 ZINC000449498436 1032669837 /nfs/dbraw/zinc/66/98/37/1032669837.db2.gz KPGZTILTFIQCMJ-ZDUSSCGKSA-N 1 2 336.342 3.566 20 5 EHBDLO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3ccn(C(F)F)n3)C2)cc1 ZINC000449498436 1032669849 /nfs/dbraw/zinc/66/98/49/1032669849.db2.gz KPGZTILTFIQCMJ-ZDUSSCGKSA-N 1 2 336.342 3.566 20 5 EHBDLO C[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc(OC(F)F)cc1 ZINC000054152751 1019060007 /nfs/dbraw/zinc/06/00/07/1019060007.db2.gz NRYYOUSPQZEEKN-UHFFFAOYSA-N 1 2 328.340 3.890 20 5 EHBDLO C[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc(OC(F)F)cc1 ZINC000054152751 1019060024 /nfs/dbraw/zinc/06/00/24/1019060024.db2.gz NRYYOUSPQZEEKN-UHFFFAOYSA-N 1 2 328.340 3.890 20 5 EHBDLO Cn1ccnc1[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000580844567 1020135855 /nfs/dbraw/zinc/13/58/55/1020135855.db2.gz QNPJRONRJCKDQF-MJGOQNOKSA-N 1 2 348.406 3.695 20 5 EHBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2ccsc2Br)cs1 ZINC000337857667 1022866586 /nfs/dbraw/zinc/86/65/86/1022866586.db2.gz LMQMSWDCDLMTPV-UHFFFAOYSA-N 1 2 333.232 3.770 20 5 EHBDLO Cc1ccoc1C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000430111660 1024381534 /nfs/dbraw/zinc/38/15/34/1024381534.db2.gz SULRJDNLHZUICN-UHFFFAOYSA-N 1 2 326.299 3.730 20 5 EHBDLO Cc1ccoc1C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000430111660 1024381548 /nfs/dbraw/zinc/38/15/48/1024381548.db2.gz SULRJDNLHZUICN-UHFFFAOYSA-N 1 2 326.299 3.730 20 5 EHBDLO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)cs1 ZINC000449584388 1024497428 /nfs/dbraw/zinc/49/74/28/1024497428.db2.gz JSEHOPYSTRHGTC-JTQLQIEISA-N 1 2 328.315 3.851 20 5 EHBDLO CC(=O)c1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000142333094 1025516075 /nfs/dbraw/zinc/51/60/75/1025516075.db2.gz HSKKULNAVSYUPF-UHFFFAOYSA-N 1 2 340.383 3.926 20 5 EHBDLO CCO[C@@H](C)c1nc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000451102551 1025562968 /nfs/dbraw/zinc/56/29/68/1025562968.db2.gz DDUSNDKZCHPZPH-RYUDHWBXSA-N 1 2 335.429 4.000 20 5 EHBDLO Cn1c[nH+]c2cc(Nc3ccc(Br)cc3[N+](=O)[O-])ccc21 ZINC000439701737 1025685700 /nfs/dbraw/zinc/68/57/00/1025685700.db2.gz BAGMRESDQKVDER-UHFFFAOYSA-N 1 2 347.172 3.988 20 5 EHBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425546126 1025717445 /nfs/dbraw/zinc/71/74/45/1025717445.db2.gz GSGIUTLQYSQFTQ-IAGOWNOFSA-N 1 2 332.787 3.556 20 5 EHBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425546126 1025717461 /nfs/dbraw/zinc/71/74/61/1025717461.db2.gz GSGIUTLQYSQFTQ-IAGOWNOFSA-N 1 2 332.787 3.556 20 5 EHBDLO CC(C)C1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000444216549 1025929041 /nfs/dbraw/zinc/92/90/41/1025929041.db2.gz UQRHPTLTRMINQH-UHFFFAOYSA-N 1 2 339.823 3.555 20 5 EHBDLO CCOc1cc(N2CCC[C@@H]2c2[nH]c(C)c(C)[nH+]2)ccc1[N+](=O)[O-] ZINC000895192172 1026083397 /nfs/dbraw/zinc/08/33/97/1026083397.db2.gz FXYDCKIBNCZOCM-OAHLLOKOSA-N 1 2 330.388 3.675 20 5 EHBDLO O=C(C[N@@H+]1CCCCC[C@@H]1c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000121268125 1026488946 /nfs/dbraw/zinc/48/89/46/1026488946.db2.gz GENNLUZCAIJYBH-MRXNPFEDSA-N 1 2 343.383 3.744 20 5 EHBDLO O=C(C[N@H+]1CCCCC[C@@H]1c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000121268125 1026488952 /nfs/dbraw/zinc/48/89/52/1026488952.db2.gz GENNLUZCAIJYBH-MRXNPFEDSA-N 1 2 343.383 3.744 20 5 EHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000127812484 1026528578 /nfs/dbraw/zinc/52/85/78/1026528578.db2.gz RNDHHCQBMOGGBL-AWEZNQCLSA-N 1 2 329.400 3.970 20 5 EHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000127812484 1026528583 /nfs/dbraw/zinc/52/85/83/1026528583.db2.gz RNDHHCQBMOGGBL-AWEZNQCLSA-N 1 2 329.400 3.970 20 5 EHBDLO CO[C@@H](C)c1nc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cs1 ZINC000531721634 1027269932 /nfs/dbraw/zinc/26/99/32/1027269932.db2.gz JWCHFAYKRRBHOE-NEPJUHHUSA-N 1 2 335.429 3.918 20 5 EHBDLO CC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(F)cc1F ZINC000444691411 1028167387 /nfs/dbraw/zinc/16/73/87/1028167387.db2.gz YQNPPMQRHODEIX-CQSZACIVSA-N 1 2 346.337 3.990 20 5 EHBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)c2c(Cl)cccc2Cl)cc1 ZINC000475629483 1028890381 /nfs/dbraw/zinc/89/03/81/1028890381.db2.gz VFZBKMZCPVJZPQ-AWEZNQCLSA-N 1 2 341.194 3.725 20 5 EHBDLO O=[N+]([O-])c1c(NC2CCN(c3cccc[nH+]3)CC2)ccc2ncccc21 ZINC000052185495 1029280799 /nfs/dbraw/zinc/28/07/99/1029280799.db2.gz JGSFCBGNBTZYDG-UHFFFAOYSA-N 1 2 349.394 3.619 20 5 EHBDLO O=[N+]([O-])c1cccc(-c2nc(CNc3cc[nH+]cc3F)cs2)c1 ZINC000192151003 1029604722 /nfs/dbraw/zinc/60/47/22/1029604722.db2.gz PRNQYQXPRMRMDP-UHFFFAOYSA-N 1 2 330.344 3.865 20 5 EHBDLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000340444192 1030374583 /nfs/dbraw/zinc/37/45/83/1030374583.db2.gz GXBKNPKOZFICBI-GHMZBOCLSA-N 1 2 349.337 3.551 20 5 EHBDLO C[C@H](CNC(=O)c1cc2ccccc2c2cccnc12)Cn1cc[nH+]c1 ZINC000172622221 1030977177 /nfs/dbraw/zinc/97/71/77/1030977177.db2.gz YMUGILXYJUYKRQ-OAHLLOKOSA-N 1 2 344.418 3.651 20 5 EHBDLO O=[N+]([O-])c1ccc(-c2nc(-c3cccs3)no2)cc1-n1cc[nH+]c1 ZINC000904278510 1031915348 /nfs/dbraw/zinc/91/53/48/1031915348.db2.gz ARHAOVCAJVVZST-UHFFFAOYSA-N 1 2 339.336 3.559 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1nc(C2CC2)cs1 ZINC000595021738 1033613741 /nfs/dbraw/zinc/61/37/41/1033613741.db2.gz FOEKEOFAZZRJCH-SNVBAGLBSA-N 1 2 333.413 3.788 20 5 EHBDLO CC(C)O[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000593658740 1033634682 /nfs/dbraw/zinc/63/46/82/1033634682.db2.gz HRDJYKGEVDNQQP-CQSZACIVSA-N 1 2 344.358 3.586 20 5 EHBDLO CC(C)O[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000593658740 1033634690 /nfs/dbraw/zinc/63/46/90/1033634690.db2.gz HRDJYKGEVDNQQP-CQSZACIVSA-N 1 2 344.358 3.586 20 5 EHBDLO COc1cc(C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C2CC2)ccc1O ZINC000171374161 1034366162 /nfs/dbraw/zinc/36/61/62/1034366162.db2.gz BVHCFFICCMUKBK-UHFFFAOYSA-N 1 2 346.358 3.613 20 5 EHBDLO COc1cc(C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C2CC2)ccc1O ZINC000171374161 1034366173 /nfs/dbraw/zinc/36/61/73/1034366173.db2.gz BVHCFFICCMUKBK-UHFFFAOYSA-N 1 2 346.358 3.613 20 5 EHBDLO C[C@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000060380116 1034452071 /nfs/dbraw/zinc/45/20/71/1034452071.db2.gz DPCXVMGCCFZPRT-SNVBAGLBSA-N 1 2 328.294 3.558 20 5 EHBDLO C[C@H](Nc1cc(N2CCCCC2)nc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000450547519 1034505529 /nfs/dbraw/zinc/50/55/29/1034505529.db2.gz CYNPIYPJHOEZOP-ZDUSSCGKSA-N 1 2 327.388 3.548 20 5 EHBDLO C[C@H](Nc1cc(N2CCCCC2)[nH+]cn1)c1ccc([N+](=O)[O-])cc1 ZINC000450547519 1034505544 /nfs/dbraw/zinc/50/55/44/1034505544.db2.gz CYNPIYPJHOEZOP-ZDUSSCGKSA-N 1 2 327.388 3.548 20 5 EHBDLO COC(=O)c1cnc([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000414081563 1035459651 /nfs/dbraw/zinc/45/96/51/1035459651.db2.gz BMCYPTSHMOMKLG-MNOVXSKESA-N 1 2 349.412 3.558 20 5 EHBDLO Cc1c(C[NH2+]Cc2nc(C(C)C)n3ccccc23)cccc1[N+](=O)[O-] ZINC000581730453 1035536076 /nfs/dbraw/zinc/53/60/76/1035536076.db2.gz HZPGHNNULDVEFD-UHFFFAOYSA-N 1 2 338.411 3.964 20 5 EHBDLO COc1ccc(CNc2cc(C(C)C)[nH+]c(C(C)C)n2)cc1[N+](=O)[O-] ZINC000535592254 1036695100 /nfs/dbraw/zinc/69/51/00/1036695100.db2.gz GHRYIOQQKFBDCK-UHFFFAOYSA-N 1 2 344.415 3.674 20 5 EHBDLO CC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccccn1 ZINC000089909496 1036971817 /nfs/dbraw/zinc/97/18/17/1036971817.db2.gz BLXUGMUEOOZWDP-UHFFFAOYSA-N 1 2 338.367 3.667 20 5 EHBDLO CC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccccn1 ZINC000089909496 1036971838 /nfs/dbraw/zinc/97/18/38/1036971838.db2.gz BLXUGMUEOOZWDP-UHFFFAOYSA-N 1 2 338.367 3.667 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(Cc2ccsc2)CC1 ZINC000539802730 1037216189 /nfs/dbraw/zinc/21/61/89/1037216189.db2.gz MXZNSPADYJDPMI-HNNXBMFYSA-N 1 2 345.468 3.844 20 5 EHBDLO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000539826597 1037250034 /nfs/dbraw/zinc/25/00/34/1037250034.db2.gz PBSGGTCUHMPFFC-UHFFFAOYSA-N 1 2 342.443 3.721 20 5 EHBDLO Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000539826597 1037250039 /nfs/dbraw/zinc/25/00/39/1037250039.db2.gz PBSGGTCUHMPFFC-UHFFFAOYSA-N 1 2 342.443 3.721 20 5 EHBDLO CCC[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H](C)c1ccccc1OC ZINC000595297271 1037943486 /nfs/dbraw/zinc/94/34/86/1037943486.db2.gz QMPWLUMEGAMKFX-ZDUSSCGKSA-N 1 2 333.388 3.873 20 5 EHBDLO CCC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H](C)c1ccccc1OC ZINC000595297271 1037943495 /nfs/dbraw/zinc/94/34/95/1037943495.db2.gz QMPWLUMEGAMKFX-ZDUSSCGKSA-N 1 2 333.388 3.873 20 5 EHBDLO C[N@H+](Cc1cc(Cl)cc2c1OCC2)Cc1ccccc1[N+](=O)[O-] ZINC000541225837 1038363171 /nfs/dbraw/zinc/36/31/71/1038363171.db2.gz ZCPPPNGYBUUURY-UHFFFAOYSA-N 1 2 332.787 3.815 20 5 EHBDLO C[N@@H+](Cc1cc(Cl)cc2c1OCC2)Cc1ccccc1[N+](=O)[O-] ZINC000541225837 1038363180 /nfs/dbraw/zinc/36/31/80/1038363180.db2.gz ZCPPPNGYBUUURY-UHFFFAOYSA-N 1 2 332.787 3.815 20 5 EHBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000489488288 1040033438 /nfs/dbraw/zinc/03/34/38/1040033438.db2.gz XSIYMBKXNJDVLS-SCLBCKFNSA-N 1 2 330.359 3.868 20 5 EHBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000489488288 1040033462 /nfs/dbraw/zinc/03/34/62/1040033462.db2.gz XSIYMBKXNJDVLS-SCLBCKFNSA-N 1 2 330.359 3.868 20 5 EHBDLO Cc1nnc([C@@H](C)[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)s1 ZINC000279187024 1043518590 /nfs/dbraw/zinc/51/85/90/1043518590.db2.gz WAALIXSAPSHNNO-YMTOWFKASA-N 1 2 332.429 3.828 20 5 EHBDLO CCc1ccc([C@@H](CO)[NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000494800952 1120833534 /nfs/dbraw/zinc/83/35/34/1120833534.db2.gz PSQZUTDJQNCZPE-MRXNPFEDSA-N 1 2 334.803 3.634 20 5 EHBDLO COC[C@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000494826134 1120870664 /nfs/dbraw/zinc/87/06/64/1120870664.db2.gz VCYCCTMGXRMROX-HNNXBMFYSA-N 1 2 338.766 3.865 20 5 EHBDLO Cc1ccccc1NC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153318430 1121665688 /nfs/dbraw/zinc/66/56/88/1121665688.db2.gz HVBPVSFKOPCVAV-UHFFFAOYSA-N 1 2 339.395 3.506 20 5 EHBDLO Cc1ccccc1NC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153318430 1121665693 /nfs/dbraw/zinc/66/56/93/1121665693.db2.gz HVBPVSFKOPCVAV-UHFFFAOYSA-N 1 2 339.395 3.506 20 5 EHBDLO Cn1ccnc1[C@@H]([NH2+]C/C=C/c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000556868386 1123159203 /nfs/dbraw/zinc/15/92/03/1123159203.db2.gz VFPOZDUHEDWWQI-MEQKGCOVSA-N 1 2 348.406 3.721 20 5 EHBDLO C[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1nc(C(C)(C)C)no1 ZINC000255642522 1129168493 /nfs/dbraw/zinc/16/84/93/1129168493.db2.gz IKPKWODTNKJFHK-ZVTBTPLYSA-N 1 2 330.388 3.639 20 5 EHBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000081573069 1129429478 /nfs/dbraw/zinc/42/94/78/1129429478.db2.gz ZOENFVFMFGQBDH-GLJUWKHASA-N 1 2 339.395 3.615 20 5 EHBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000081573069 1129429480 /nfs/dbraw/zinc/42/94/80/1129429480.db2.gz ZOENFVFMFGQBDH-GLJUWKHASA-N 1 2 339.395 3.615 20 5 EHBDLO C[C@H]([NH2+]Cc1ccn(-c2ccccc2F)n1)c1cccc([N+](=O)[O-])c1 ZINC000173360744 1130216599 /nfs/dbraw/zinc/21/65/99/1130216599.db2.gz QLRMFOWEWIMPKE-ZDUSSCGKSA-N 1 2 340.358 3.770 20 5 EHBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)c1 ZINC000766940721 1132919268 /nfs/dbraw/zinc/91/92/68/1132919268.db2.gz DOHHKUGLZFZVQB-UHFFFAOYSA-N 1 2 342.786 3.724 20 5 EHBDLO C[C@H]([NH2+]Cc1coc(-c2cccs2)n1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788563028 1134143257 /nfs/dbraw/zinc/14/32/57/1134143257.db2.gz JLMFDLLEKIXGEC-JTQLQIEISA-N 1 2 344.396 3.744 20 5 EHBDLO CCc1nn(C)c(Nc2ccc([NH+]3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000807916302 1135588993 /nfs/dbraw/zinc/58/89/93/1135588993.db2.gz QPXXYLVPVZVQAI-UHFFFAOYSA-N 1 2 329.404 3.625 20 5 EHBDLO C[N@H+](Cc1cc(-c2ccccc2)n[nH]1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001198533028 1135827957 /nfs/dbraw/zinc/82/79/57/1135827957.db2.gz JGVIVYLSNMLQDK-UHFFFAOYSA-N 1 2 340.358 3.756 20 5 EHBDLO C[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001198533028 1135827961 /nfs/dbraw/zinc/82/79/61/1135827961.db2.gz JGVIVYLSNMLQDK-UHFFFAOYSA-N 1 2 340.358 3.756 20 5 EHBDLO CCO[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809947238 1135904846 /nfs/dbraw/zinc/90/48/46/1135904846.db2.gz ARTAWDAFRZFMSG-GFCCVEGCSA-N 1 2 333.215 3.903 20 5 EHBDLO CCO[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809947238 1135904850 /nfs/dbraw/zinc/90/48/50/1135904850.db2.gz ARTAWDAFRZFMSG-GFCCVEGCSA-N 1 2 333.215 3.903 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cc(F)cnc1Cl ZINC000850470394 1136265158 /nfs/dbraw/zinc/26/51/58/1136265158.db2.gz AFCFVZOJIKJRIF-VIFPVBQESA-N 1 2 339.754 3.642 20 5 EHBDLO Cc1noc(C[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)c1[N+](=O)[O-] ZINC000851906649 1136418258 /nfs/dbraw/zinc/41/82/58/1136418258.db2.gz PIGCYBMEJXSRGY-QMMMGPOBSA-N 1 2 345.277 3.641 20 5 EHBDLO C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)C[C@H]1n1cc[nH+]c1 ZINC000865613256 1137298851 /nfs/dbraw/zinc/29/88/51/1137298851.db2.gz VVJFQNDBYNCBLM-XHDPSFHLSA-N 1 2 336.342 3.816 20 5 EHBDLO C[C@@H](O)[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1F ZINC000846019282 1137326435 /nfs/dbraw/zinc/32/64/35/1137326435.db2.gz YENVNXHWAHYDIK-HWPZZCPQSA-N 1 2 338.766 3.599 20 5 EHBDLO C[C@@H](N[C@H]1C[N@H+](C)Cc2ccccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872050805 1137567896 /nfs/dbraw/zinc/56/78/96/1137567896.db2.gz FTKQCZVZMJMLDX-WBMJQRKESA-N 1 2 329.375 3.571 20 5 EHBDLO C[C@@H](N[C@H]1C[N@@H+](C)Cc2ccccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872050805 1137567897 /nfs/dbraw/zinc/56/78/97/1137567897.db2.gz FTKQCZVZMJMLDX-WBMJQRKESA-N 1 2 329.375 3.571 20 5 EHBDLO C[C@@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872050805 1137567898 /nfs/dbraw/zinc/56/78/98/1137567898.db2.gz FTKQCZVZMJMLDX-WBMJQRKESA-N 1 2 329.375 3.571 20 5 EHBDLO Cc1[nH]c2ccc(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)cc2[nH+]1 ZINC000348417460 1138286471 /nfs/dbraw/zinc/28/64/71/1138286471.db2.gz UNOCOECUNATBKM-SECBINFHSA-N 1 2 342.330 3.661 20 5 EHBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccc(Cl)nc3)CC2)cc1 ZINC000174245875 1139408869 /nfs/dbraw/zinc/40/88/69/1139408869.db2.gz ILNYRRRQTKIOMU-UHFFFAOYSA-N 1 2 347.802 3.687 20 5 EHBDLO Cc1ccc([C@H](C)[NH2+]Cc2nc(-c3cccs3)no2)cc1[N+](=O)[O-] ZINC000181821656 1139934520 /nfs/dbraw/zinc/93/45/20/1139934520.db2.gz RUGJRLDPYCGWJO-NSHDSACASA-N 1 2 344.396 3.866 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)c1nc(C)c(C)s1 ZINC000430194885 1014802645 /nfs/dbraw/zinc/80/26/45/1014802645.db2.gz LBCSHAVPGAJGAQ-UHFFFAOYSA-N 1 2 335.429 3.702 20 5 EHBDLO O=[N+]([O-])c1c(F)cccc1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000782981115 1016976736 /nfs/dbraw/zinc/97/67/36/1016976736.db2.gz YCKPJYIUWNDSHX-UHFFFAOYSA-N 1 2 332.379 3.627 20 5 EHBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@H]3c3ccccc3)o2)cc1 ZINC000348524906 1032315333 /nfs/dbraw/zinc/31/53/33/1032315333.db2.gz KQLJNSZMLVQASS-MRXNPFEDSA-N 1 2 336.351 3.592 20 5 EHBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@@H]3c3ccccc3)o2)cc1 ZINC000348524906 1032315341 /nfs/dbraw/zinc/31/53/41/1032315341.db2.gz KQLJNSZMLVQASS-MRXNPFEDSA-N 1 2 336.351 3.592 20 5 EHBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H](CO)c1ccc(Cl)cc1 ZINC000449452113 1032569847 /nfs/dbraw/zinc/56/98/47/1032569847.db2.gz KAHBJCHCJBDRPN-MRXNPFEDSA-N 1 2 338.766 3.553 20 5 EHBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H](CO)c1ccc(Cl)cc1 ZINC000449452113 1032569849 /nfs/dbraw/zinc/56/98/49/1032569849.db2.gz KAHBJCHCJBDRPN-MRXNPFEDSA-N 1 2 338.766 3.553 20 5 EHBDLO Cc1ccc([C@@H](C)NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000602115179 1032657706 /nfs/dbraw/zinc/65/77/06/1032657706.db2.gz GOXCFISICBENQK-PBHICJAKSA-N 1 2 344.415 3.564 20 5 EHBDLO COC(=O)C(C)(C)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000513117229 1019029070 /nfs/dbraw/zinc/02/90/70/1019029070.db2.gz QPDYJPKABWRXPN-UHFFFAOYSA-N 1 2 348.424 3.707 20 5 EHBDLO COC(=O)C(C)(C)[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000513117229 1019029084 /nfs/dbraw/zinc/02/90/84/1019029084.db2.gz QPDYJPKABWRXPN-UHFFFAOYSA-N 1 2 348.424 3.707 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)Cc1nc2ccccc2n1C ZINC000182883043 1019765969 /nfs/dbraw/zinc/76/59/69/1019765969.db2.gz GGYYDQZQLWLHIG-CQSZACIVSA-N 1 2 338.411 3.983 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)Cc1nc2ccccc2n1C ZINC000182883043 1019765988 /nfs/dbraw/zinc/76/59/88/1019765988.db2.gz GGYYDQZQLWLHIG-CQSZACIVSA-N 1 2 338.411 3.983 20 5 EHBDLO CC(C)([NH2+]Cn1nccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000050898764 1020658591 /nfs/dbraw/zinc/65/85/91/1020658591.db2.gz SWQZDNYKVQGOTC-UHFFFAOYSA-N 1 2 329.187 3.581 20 5 EHBDLO CCC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccn1 ZINC000602538998 1032949675 /nfs/dbraw/zinc/94/96/75/1032949675.db2.gz PBGILMGUOLOACE-ZDUSSCGKSA-N 1 2 326.356 3.762 20 5 EHBDLO C[C@H]1c2ccsc2CC[N@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000023854652 1021093480 /nfs/dbraw/zinc/09/34/80/1021093480.db2.gz PVPIVUABFLVYIZ-NSHDSACASA-N 1 2 328.397 3.583 20 5 EHBDLO C[C@H]1c2ccsc2CC[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000023854652 1021093488 /nfs/dbraw/zinc/09/34/88/1021093488.db2.gz PVPIVUABFLVYIZ-NSHDSACASA-N 1 2 328.397 3.583 20 5 EHBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCOC[C@H]1Cc1ccccc1 ZINC000507685690 1021435014 /nfs/dbraw/zinc/43/50/14/1021435014.db2.gz ULEVWCKOYIUJQE-FUKWUPMWSA-N 1 2 338.407 3.552 20 5 EHBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCOC[C@H]1Cc1ccccc1 ZINC000507685690 1021435016 /nfs/dbraw/zinc/43/50/16/1021435016.db2.gz ULEVWCKOYIUJQE-FUKWUPMWSA-N 1 2 338.407 3.552 20 5 EHBDLO O=[N+]([O-])c1ccc2nc(N3CCC(Nc4cccc[nH+]4)CC3)ccc2c1 ZINC000895356137 1024380275 /nfs/dbraw/zinc/38/02/75/1024380275.db2.gz TTXPGQLRDPIJGN-UHFFFAOYSA-N 1 2 349.394 3.619 20 5 EHBDLO CCn1ccnc1[C@@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000280997795 1024507516 /nfs/dbraw/zinc/50/75/16/1024507516.db2.gz MIKWTBXXQCRXRV-KRWDZBQOSA-N 1 2 328.416 3.847 20 5 EHBDLO CCn1ccnc1[C@@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000280997795 1024507526 /nfs/dbraw/zinc/50/75/26/1024507526.db2.gz MIKWTBXXQCRXRV-KRWDZBQOSA-N 1 2 328.416 3.847 20 5 EHBDLO COc1cc(C[N@@H+]2CC[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000434990055 1024545768 /nfs/dbraw/zinc/54/57/68/1024545768.db2.gz DYTIFVSWDWDHRD-HNNXBMFYSA-N 1 2 328.368 3.559 20 5 EHBDLO COc1cc(C[N@H+]2CC[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000434990055 1024545784 /nfs/dbraw/zinc/54/57/84/1024545784.db2.gz DYTIFVSWDWDHRD-HNNXBMFYSA-N 1 2 328.368 3.559 20 5 EHBDLO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c1 ZINC000425365609 1024868582 /nfs/dbraw/zinc/86/85/82/1024868582.db2.gz MEFKDTXJAFGJFH-IAGOWNOFSA-N 1 2 332.787 3.556 20 5 EHBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c1 ZINC000425365609 1024868600 /nfs/dbraw/zinc/86/86/00/1024868600.db2.gz MEFKDTXJAFGJFH-IAGOWNOFSA-N 1 2 332.787 3.556 20 5 EHBDLO O=C(Nc1cccc(Cl)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000014427441 1025330998 /nfs/dbraw/zinc/33/09/98/1025330998.db2.gz MKZCXSKPTOHQAB-UHFFFAOYSA-N 1 2 342.742 3.686 20 5 EHBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1nccn1C(F)F ZINC000347358235 1026274448 /nfs/dbraw/zinc/27/44/48/1026274448.db2.gz GJKBHTAVEYASMG-XYOKQWHBSA-N 1 2 336.342 3.722 20 5 EHBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1nccn1C(F)F ZINC000347358235 1026274464 /nfs/dbraw/zinc/27/44/64/1026274464.db2.gz GJKBHTAVEYASMG-XYOKQWHBSA-N 1 2 336.342 3.722 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000338996083 1026332369 /nfs/dbraw/zinc/33/23/69/1026332369.db2.gz CQASYRPBHDLDAB-UHFFFAOYSA-N 1 2 330.359 3.647 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC000338996083 1026332376 /nfs/dbraw/zinc/33/23/76/1026332376.db2.gz CQASYRPBHDLDAB-UHFFFAOYSA-N 1 2 330.359 3.647 20 5 EHBDLO Cc1cc(Nc2ncccc2[N+](=O)[O-])c[nH+]c1N1CCCC[C@@H]1C ZINC000503276367 1027699930 /nfs/dbraw/zinc/69/99/30/1027699930.db2.gz NWDRTGPKDGWYBC-ZDUSSCGKSA-N 1 2 327.388 3.816 20 5 EHBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H]3c3ccsc3)nc2c1 ZINC000444596020 1028057196 /nfs/dbraw/zinc/05/71/96/1028057196.db2.gz LAIHUSKQCOTAAI-HNNXBMFYSA-N 1 2 328.397 3.870 20 5 EHBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H]3c3ccsc3)nc2c1 ZINC000444596020 1028057210 /nfs/dbraw/zinc/05/72/10/1028057210.db2.gz LAIHUSKQCOTAAI-HNNXBMFYSA-N 1 2 328.397 3.870 20 5 EHBDLO CCO[C@H]1C[C@H]([N@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)C1(C)C ZINC000509670492 1028733812 /nfs/dbraw/zinc/73/38/12/1028733812.db2.gz JTKQXWLZDZRZEB-GJZGRUSLSA-N 1 2 328.359 3.508 20 5 EHBDLO CCO[C@H]1C[C@H]([N@@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)C1(C)C ZINC000509670492 1028733827 /nfs/dbraw/zinc/73/38/27/1028733827.db2.gz JTKQXWLZDZRZEB-GJZGRUSLSA-N 1 2 328.359 3.508 20 5 EHBDLO Cc1ccccc1[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000525126484 1029698134 /nfs/dbraw/zinc/69/81/34/1029698134.db2.gz XMFCHXQSZYEOSZ-IBGZPJMESA-N 1 2 326.396 3.785 20 5 EHBDLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000525126484 1029698138 /nfs/dbraw/zinc/69/81/38/1029698138.db2.gz XMFCHXQSZYEOSZ-IBGZPJMESA-N 1 2 326.396 3.785 20 5 EHBDLO CCCCN(CCCC)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448695374 1031468613 /nfs/dbraw/zinc/46/86/13/1031468613.db2.gz WIZVRPQHVWGMID-UHFFFAOYSA-N 1 2 344.415 3.823 20 5 EHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000052803231 1031709236 /nfs/dbraw/zinc/70/92/36/1031709236.db2.gz SGOBQBSUAYNWLE-AWEZNQCLSA-N 1 2 345.424 3.740 20 5 EHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000052803231 1031709255 /nfs/dbraw/zinc/70/92/55/1031709255.db2.gz SGOBQBSUAYNWLE-AWEZNQCLSA-N 1 2 345.424 3.740 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCc2nc(C(C)C)ncc2C1 ZINC000598938203 1033580736 /nfs/dbraw/zinc/58/07/36/1033580736.db2.gz WMFXDDVRYWAVFJ-CQSZACIVSA-N 1 2 340.427 3.936 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCc2nc(C(C)C)ncc2C1 ZINC000598938203 1033580751 /nfs/dbraw/zinc/58/07/51/1033580751.db2.gz WMFXDDVRYWAVFJ-CQSZACIVSA-N 1 2 340.427 3.936 20 5 EHBDLO COc1ccc2oc([C@@H](C)[NH2+]Cc3onc(C)c3[N+](=O)[O-])c(C)c2c1 ZINC000595427385 1033799268 /nfs/dbraw/zinc/79/92/68/1033799268.db2.gz CGCKCZMXPNXFNS-LLVKDONJSA-N 1 2 345.355 3.805 20 5 EHBDLO Cc1noc(C[N@@H+]2CC3(CC=CC3)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595570910 1033846087 /nfs/dbraw/zinc/84/60/87/1033846087.db2.gz ZXLXKOMZXIOJKA-QGZVFWFLSA-N 1 2 325.368 3.785 20 5 EHBDLO Cc1noc(C[N@H+]2CC3(CC=CC3)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595570910 1033846100 /nfs/dbraw/zinc/84/61/00/1033846100.db2.gz ZXLXKOMZXIOJKA-QGZVFWFLSA-N 1 2 325.368 3.785 20 5 EHBDLO Cc1cc(N2CCC(CCCn3cc[nH+]c3)CC2)c([N+](=O)[O-])s1 ZINC000596191340 1034104290 /nfs/dbraw/zinc/10/42/90/1034104290.db2.gz POFFFTPUMUTBMS-UHFFFAOYSA-N 1 2 334.445 3.858 20 5 EHBDLO Cc1cc(Nc2ncc([N+](=O)[O-])c(C)n2)c[nH+]c1N1CCCC[C@H]1C ZINC000450432741 1034320727 /nfs/dbraw/zinc/32/07/27/1034320727.db2.gz HZBOLJWBLLIWMY-GFCCVEGCSA-N 1 2 342.403 3.519 20 5 EHBDLO CN(C)c1cc[nH+]c(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 ZINC000612347266 1034810530 /nfs/dbraw/zinc/81/05/30/1034810530.db2.gz WRGJVLDQKVGALE-UHFFFAOYSA-N 1 2 342.399 3.606 20 5 EHBDLO CCOc1cc(C[N@@H+]2CCc3c(F)cccc3C2)ccc1[N+](=O)[O-] ZINC000492579578 1036026719 /nfs/dbraw/zinc/02/67/19/1036026719.db2.gz AZLGGZSIUDJLMN-UHFFFAOYSA-N 1 2 330.359 3.691 20 5 EHBDLO CCOc1cc(C[N@H+]2CCc3c(F)cccc3C2)ccc1[N+](=O)[O-] ZINC000492579578 1036026735 /nfs/dbraw/zinc/02/67/35/1036026735.db2.gz AZLGGZSIUDJLMN-UHFFFAOYSA-N 1 2 330.359 3.691 20 5 EHBDLO CC1(C)C[C@@H]([NH2+]Cc2nnc(C3CC3)s2)c2cc([N+](=O)[O-])ccc21 ZINC000414327621 1036693798 /nfs/dbraw/zinc/69/37/98/1036693798.db2.gz OYTVQHVTACQQCJ-CQSZACIVSA-N 1 2 344.440 3.836 20 5 EHBDLO CCN(C)c1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000191233075 1036739225 /nfs/dbraw/zinc/73/92/25/1036739225.db2.gz AHSPKFRRPSMBOM-UHFFFAOYSA-N 1 2 340.427 3.611 20 5 EHBDLO CCN(C)c1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000191233075 1036739235 /nfs/dbraw/zinc/73/92/35/1036739235.db2.gz AHSPKFRRPSMBOM-UHFFFAOYSA-N 1 2 340.427 3.611 20 5 EHBDLO C[C@@H](c1ccsc1)[NH+]1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000553494169 1040109103 /nfs/dbraw/zinc/10/91/03/1040109103.db2.gz GIDGBXYEEHQLFG-LBPRGKRZSA-N 1 2 335.404 3.679 20 5 EHBDLO COc1ccc(C[NH2+][C@H](COCC(C)C)c2ccco2)cc1[N+](=O)[O-] ZINC000106468823 1041709611 /nfs/dbraw/zinc/70/96/11/1041709611.db2.gz GPUWFWWLPPEZPM-OAHLLOKOSA-N 1 2 348.399 3.700 20 5 EHBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+](Cc1ccccc1)CC1(CO)CC1 ZINC000341972898 1042779555 /nfs/dbraw/zinc/77/95/55/1042779555.db2.gz PFIKXOQGWKKXCC-UHFFFAOYSA-N 1 2 344.386 3.509 20 5 EHBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+](Cc1ccccc1)CC1(CO)CC1 ZINC000341972898 1042779559 /nfs/dbraw/zinc/77/95/59/1042779559.db2.gz PFIKXOQGWKKXCC-UHFFFAOYSA-N 1 2 344.386 3.509 20 5 EHBDLO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1(CC)CC ZINC001167820816 1042907068 /nfs/dbraw/zinc/90/70/68/1042907068.db2.gz WUSMMBICVPLTBQ-IAGOWNOFSA-N 1 2 336.432 3.716 20 5 EHBDLO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1(CC)CC ZINC001167820816 1042907070 /nfs/dbraw/zinc/90/70/70/1042907070.db2.gz WUSMMBICVPLTBQ-IAGOWNOFSA-N 1 2 336.432 3.716 20 5 EHBDLO O=[N+]([O-])c1cccc2c(NC3CCN(c4cccc[nH+]4)CC3)ccnc21 ZINC000432338802 1042973370 /nfs/dbraw/zinc/97/33/70/1042973370.db2.gz XCDOZCKDOATMAB-UHFFFAOYSA-N 1 2 349.394 3.619 20 5 EHBDLO C[NH+](C)[C@H](CNc1cccc(F)c1[N+](=O)[O-])c1c(F)cccc1F ZINC000301298059 1127734981 /nfs/dbraw/zinc/73/49/81/1127734981.db2.gz PUMPOBDRLKCVSO-CQSZACIVSA-N 1 2 339.317 3.727 20 5 EHBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000194359172 1121858869 /nfs/dbraw/zinc/85/88/69/1121858869.db2.gz XZOKGWBAOACYPE-UHFFFAOYSA-N 1 2 336.351 3.650 20 5 EHBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000544530204 1122320257 /nfs/dbraw/zinc/32/02/57/1122320257.db2.gz SGMZOVDWBHBDGJ-OXJNMPFZSA-N 1 2 340.423 3.989 20 5 EHBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000544530204 1122320263 /nfs/dbraw/zinc/32/02/63/1122320263.db2.gz SGMZOVDWBHBDGJ-OXJNMPFZSA-N 1 2 340.423 3.989 20 5 EHBDLO Cn1ccnc1[C@H]([NH2+]C/C=C\c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000556868388 1123158959 /nfs/dbraw/zinc/15/89/59/1123158959.db2.gz VFPOZDUHEDWWQI-NVAPOSRTSA-N 1 2 348.406 3.721 20 5 EHBDLO CC[C@@H]1c2ccccc2CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618281989 1125036388 /nfs/dbraw/zinc/03/63/88/1125036388.db2.gz BYOVSEPXYHVGNO-GOSISDBHSA-N 1 2 336.395 3.981 20 5 EHBDLO CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618281989 1125036397 /nfs/dbraw/zinc/03/63/97/1125036397.db2.gz BYOVSEPXYHVGNO-GOSISDBHSA-N 1 2 336.395 3.981 20 5 EHBDLO Cc1cc(C)c(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c(C)[nH+]1 ZINC000182498011 1125315733 /nfs/dbraw/zinc/31/57/33/1125315733.db2.gz CASDQMHUQCYMMY-NSHDSACASA-N 1 2 331.347 3.796 20 5 EHBDLO C[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccccc1N1CCCC1 ZINC000056489961 1129831261 /nfs/dbraw/zinc/83/12/61/1129831261.db2.gz ZBRLMJWAKNMBLS-UHFFFAOYSA-N 1 2 331.441 3.889 20 5 EHBDLO C[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccccc1N1CCCC1 ZINC000056489961 1129831264 /nfs/dbraw/zinc/83/12/64/1129831264.db2.gz ZBRLMJWAKNMBLS-UHFFFAOYSA-N 1 2 331.441 3.889 20 5 EHBDLO CCOc1cc(NCCCCNc2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC000174905713 1130391428 /nfs/dbraw/zinc/39/14/28/1130391428.db2.gz DGQHELOATLIXNF-UHFFFAOYSA-N 1 2 330.388 3.693 20 5 EHBDLO Cc1ccc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c(N(C)C)[nH+]1 ZINC000784135714 1131160372 /nfs/dbraw/zinc/16/03/72/1131160372.db2.gz PLKGQODQBACDEA-UHFFFAOYSA-N 1 2 348.790 3.578 20 5 EHBDLO Cc1cc(N2CCC([N@H+](C)CC(F)F)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000771164564 1133513699 /nfs/dbraw/zinc/51/36/99/1133513699.db2.gz SXRBNKMJISLQEI-UHFFFAOYSA-N 1 2 347.793 3.722 20 5 EHBDLO Cc1cc(N2CCC([N@@H+](C)CC(F)F)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000771164564 1133513702 /nfs/dbraw/zinc/51/37/02/1133513702.db2.gz SXRBNKMJISLQEI-UHFFFAOYSA-N 1 2 347.793 3.722 20 5 EHBDLO CC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1-n1cc[nH+]c1 ZINC000786802268 1133908354 /nfs/dbraw/zinc/90/83/54/1133908354.db2.gz XRAPAELAGCGKCP-UHFFFAOYSA-N 1 2 336.351 3.595 20 5 EHBDLO C[C@H](Nc1[nH+]cnc2c1cnn2C(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000774727300 1133910032 /nfs/dbraw/zinc/91/00/32/1133910032.db2.gz APOKBUVVGQOLHM-NSHDSACASA-N 1 2 340.387 3.663 20 5 EHBDLO O=[N+]([O-])c1ncccc1NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC001187534488 1134347257 /nfs/dbraw/zinc/34/72/57/1134347257.db2.gz RWQSTLNZYUESPO-UHFFFAOYSA-N 1 2 349.394 3.504 20 5 EHBDLO C[C@H]([NH2+]Cc1nnc(-c2cccc(F)c2)o1)c1cccc([N+](=O)[O-])c1 ZINC000775186502 1134493282 /nfs/dbraw/zinc/49/32/82/1134493282.db2.gz GVRNAQGPEDCAHX-NSHDSACASA-N 1 2 342.330 3.635 20 5 EHBDLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792876452 1134810203 /nfs/dbraw/zinc/81/02/03/1134810203.db2.gz NEHCLWRWHPRATO-GXSJLCMTSA-N 1 2 347.293 3.666 20 5 EHBDLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792876452 1134810205 /nfs/dbraw/zinc/81/02/05/1134810205.db2.gz NEHCLWRWHPRATO-GXSJLCMTSA-N 1 2 347.293 3.666 20 5 EHBDLO C[C@@H]([NH2+]Cc1nccn1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001192674093 1135044209 /nfs/dbraw/zinc/04/42/09/1135044209.db2.gz WKENTXGXPJRYLK-OAHLLOKOSA-N 1 2 336.395 3.690 20 5 EHBDLO Cc1cccc(CCCNc2nc3ccc([N+](=O)[O-])cc3s2)[nH+]1 ZINC000804774315 1135187779 /nfs/dbraw/zinc/18/77/79/1135187779.db2.gz IGVSDVTVURRHJK-UHFFFAOYSA-N 1 2 328.397 3.953 20 5 EHBDLO CC[C@]1(CO)CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809981919 1135907867 /nfs/dbraw/zinc/90/78/67/1135907867.db2.gz ATBCUXAGOPSJRV-HNNXBMFYSA-N 1 2 347.242 3.886 20 5 EHBDLO CC[C@]1(CO)CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809981919 1135907870 /nfs/dbraw/zinc/90/78/70/1135907870.db2.gz ATBCUXAGOPSJRV-HNNXBMFYSA-N 1 2 347.242 3.886 20 5 EHBDLO Cc1c(CNc2ccc(N3CCCCC3)[nH+]c2)cccc1[N+](=O)[O-] ZINC001201567261 1136041975 /nfs/dbraw/zinc/04/19/75/1136041975.db2.gz WDBFHDKWYOYQOA-UHFFFAOYSA-N 1 2 326.400 3.901 20 5 EHBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C2CC2)c1 ZINC000851815940 1136410745 /nfs/dbraw/zinc/41/07/45/1136410745.db2.gz BAOVKHOUKSEHDK-UHFFFAOYSA-N 1 2 345.330 3.807 20 5 EHBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C2CC2)c1 ZINC000851815940 1136410750 /nfs/dbraw/zinc/41/07/50/1136410750.db2.gz BAOVKHOUKSEHDK-UHFFFAOYSA-N 1 2 345.330 3.807 20 5 EHBDLO Cc1cccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)n1 ZINC000339038255 1137145984 /nfs/dbraw/zinc/14/59/84/1137145984.db2.gz CNWJTCHBVDUGID-UHFFFAOYSA-N 1 2 339.317 3.949 20 5 EHBDLO Cc1cccc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)n1 ZINC000339038255 1137145985 /nfs/dbraw/zinc/14/59/85/1137145985.db2.gz CNWJTCHBVDUGID-UHFFFAOYSA-N 1 2 339.317 3.949 20 5 EHBDLO C[N@H+](CC(F)F)C1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865589640 1137297130 /nfs/dbraw/zinc/29/71/30/1137297130.db2.gz HNETTZVMJCGGPX-UHFFFAOYSA-N 1 2 349.328 3.698 20 5 EHBDLO C[N@@H+](CC(F)F)C1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865589640 1137297131 /nfs/dbraw/zinc/29/71/31/1137297131.db2.gz HNETTZVMJCGGPX-UHFFFAOYSA-N 1 2 349.328 3.698 20 5 EHBDLO C[C@H](NC[C@@H](c1ccco1)[NH+]1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872017251 1137564735 /nfs/dbraw/zinc/56/47/35/1137564735.db2.gz XROCXGTWDHKWFH-BBRMVZONSA-N 1 2 347.390 3.815 20 5 EHBDLO COc1ccc2c(c1)OCC[C@H]2[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872038859 1137566942 /nfs/dbraw/zinc/56/69/42/1137566942.db2.gz PJWJRNWAHQQGKH-IAQYHMDHSA-N 1 2 346.358 3.917 20 5 EHBDLO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1nnc(C(C)C)[nH]1 ZINC000872052440 1137568212 /nfs/dbraw/zinc/56/82/12/1137568212.db2.gz RXIHSPZPDLBDHE-WDEREUQCSA-N 1 2 349.460 3.970 20 5 EHBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1nc(C(F)(F)F)cs1 ZINC000873058302 1137589085 /nfs/dbraw/zinc/58/90/85/1137589085.db2.gz MRNJVGWUSWVEPI-UHFFFAOYSA-N 1 2 345.346 3.977 20 5 EHBDLO C[C@@H](c1cccs1)[N@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000877971341 1137697551 /nfs/dbraw/zinc/69/75/51/1137697551.db2.gz VRQMNZXZBWPOMA-NSHDSACASA-N 1 2 344.396 3.899 20 5 EHBDLO C[C@@H](c1cccs1)[N@@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000877971341 1137697552 /nfs/dbraw/zinc/69/75/52/1137697552.db2.gz VRQMNZXZBWPOMA-NSHDSACASA-N 1 2 344.396 3.899 20 5 EHBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117352349 1137929924 /nfs/dbraw/zinc/92/99/24/1137929924.db2.gz VAOCZGRHTRRTAC-UHFFFAOYSA-N 1 2 342.239 3.912 20 5 EHBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117352349 1137929925 /nfs/dbraw/zinc/92/99/25/1137929925.db2.gz VAOCZGRHTRRTAC-UHFFFAOYSA-N 1 2 342.239 3.912 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000119190156 1137939011 /nfs/dbraw/zinc/93/90/11/1137939011.db2.gz FAEHGZMLQNLUEZ-CYBMUJFWSA-N 1 2 343.383 3.660 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000119190156 1137939012 /nfs/dbraw/zinc/93/90/12/1137939012.db2.gz FAEHGZMLQNLUEZ-CYBMUJFWSA-N 1 2 343.383 3.660 20 5 EHBDLO O=[N+]([O-])c1ncccc1C[NH+]1CCC(=Cc2cccc(F)c2)CC1 ZINC000886075807 1138038432 /nfs/dbraw/zinc/03/84/32/1138038432.db2.gz IDEXKPJAXCEHSP-UHFFFAOYSA-N 1 2 327.359 3.808 20 5 EHBDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000271508105 1141383107 /nfs/dbraw/zinc/38/31/07/1141383107.db2.gz FCCZJANSPXZPEP-AWEZNQCLSA-N 1 2 334.807 3.925 20 5 EHBDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000271508105 1141383109 /nfs/dbraw/zinc/38/31/09/1141383109.db2.gz FCCZJANSPXZPEP-AWEZNQCLSA-N 1 2 334.807 3.925 20 5 EHBDLO Cc1c([C@H](C)[NH2+][C@@H](CO)c2c(F)cccc2F)cccc1[N+](=O)[O-] ZINC000271550165 1141395101 /nfs/dbraw/zinc/39/51/01/1141395101.db2.gz ZUVBJQJLWMZJHL-NHYWBVRUSA-N 1 2 336.338 3.566 20 5 EHBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cc(F)ccc1Br ZINC000038039046 213196134 /nfs/dbraw/zinc/19/61/34/213196134.db2.gz ZDRDLMJKCLRKLQ-UHFFFAOYSA-N 1 2 339.164 3.786 20 5 EHBDLO C[C@@]1(c2ccccc2)C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000536673623 1032107551 /nfs/dbraw/zinc/10/75/51/1032107551.db2.gz RNPNAYHKQYJOTI-XOYLTFLUSA-N 1 2 338.407 3.856 20 5 EHBDLO C[C@@]1(c2ccccc2)C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000536673623 1032107542 /nfs/dbraw/zinc/10/75/42/1032107542.db2.gz RNPNAYHKQYJOTI-XOYLTFLUSA-N 1 2 338.407 3.856 20 5 EHBDLO COc1ccc(C[N@H+](Cc2ccccc2F)C2CC2)cc1[N+](=O)[O-] ZINC000097472566 1015108539 /nfs/dbraw/zinc/10/85/39/1015108539.db2.gz FJPJJVSQBZGFLK-UHFFFAOYSA-N 1 2 330.359 3.907 20 5 EHBDLO COc1ccc(C[N@@H+](Cc2ccccc2F)C2CC2)cc1[N+](=O)[O-] ZINC000097472566 1015108548 /nfs/dbraw/zinc/10/85/48/1015108548.db2.gz FJPJJVSQBZGFLK-UHFFFAOYSA-N 1 2 330.359 3.907 20 5 EHBDLO CCc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000081827953 1032370208 /nfs/dbraw/zinc/37/02/08/1032370208.db2.gz UFMPFMPBLYZKRF-UHFFFAOYSA-N 1 2 336.351 3.595 20 5 EHBDLO CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449563150 1032813193 /nfs/dbraw/zinc/81/31/93/1032813193.db2.gz RVFGWHOVLIJTIR-CYBMUJFWSA-N 1 2 340.383 3.922 20 5 EHBDLO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(F)cc1F ZINC000051120987 1021175853 /nfs/dbraw/zinc/17/58/53/1021175853.db2.gz IIIDHIRLPVVMOL-SECBINFHSA-N 1 2 332.310 3.600 20 5 EHBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1csc(C(F)(F)F)n1 ZINC000894392024 1021827822 /nfs/dbraw/zinc/82/78/22/1021827822.db2.gz UGBOTIQIVNQZIN-UHFFFAOYSA-N 1 2 345.346 3.745 20 5 EHBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1csc(C(F)(F)F)n1 ZINC000894392024 1021827840 /nfs/dbraw/zinc/82/78/40/1021827840.db2.gz UGBOTIQIVNQZIN-UHFFFAOYSA-N 1 2 345.346 3.745 20 5 EHBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCCC[C@H]1C(F)(F)F ZINC000550105947 1022451401 /nfs/dbraw/zinc/45/14/01/1022451401.db2.gz ZDDPIWKOGZEFLY-OCCSQVGLSA-N 1 2 332.322 3.853 20 5 EHBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCCC[C@H]1C(F)(F)F ZINC000550105947 1022451410 /nfs/dbraw/zinc/45/14/10/1022451410.db2.gz ZDDPIWKOGZEFLY-OCCSQVGLSA-N 1 2 332.322 3.853 20 5 EHBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2cc(F)ccc2F)CC1 ZINC000426876657 1023094644 /nfs/dbraw/zinc/09/46/44/1023094644.db2.gz VDZCDJHTVZOUQO-ZDUSSCGKSA-N 1 2 347.365 3.756 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCCn2nc(C(C)C)nc21 ZINC000167974346 1033137042 /nfs/dbraw/zinc/13/70/42/1033137042.db2.gz YZYSAPHMQVNYPT-BBRMVZONSA-N 1 2 343.431 3.804 20 5 EHBDLO O=[N+]([O-])c1ccc2c(ccnc2N2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000895349364 1024358091 /nfs/dbraw/zinc/35/80/91/1024358091.db2.gz KKKHNNHUTLPHNU-UHFFFAOYSA-N 1 2 349.394 3.619 20 5 EHBDLO C[C@@H](c1ccccc1Cl)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000053235753 1025192494 /nfs/dbraw/zinc/19/24/94/1025192494.db2.gz LSYZDAOJSOOKCT-NSHDSACASA-N 1 2 347.802 3.540 20 5 EHBDLO C[C@@H](c1ccccc1Cl)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000053235753 1025192499 /nfs/dbraw/zinc/19/24/99/1025192499.db2.gz LSYZDAOJSOOKCT-NSHDSACASA-N 1 2 347.802 3.540 20 5 EHBDLO COc1ccc(CNc2c[nH+]ccc2OC(C)(C)C)cc1[N+](=O)[O-] ZINC000158446574 1026512433 /nfs/dbraw/zinc/51/24/33/1026512433.db2.gz BNUVEVLNKNWVOS-UHFFFAOYSA-N 1 2 331.372 3.788 20 5 EHBDLO O=[N+]([O-])c1ccc2ncnc(Oc3cccc(-n4cc[nH+]c4)c3)c2c1 ZINC000611704791 1026951472 /nfs/dbraw/zinc/95/14/72/1026951472.db2.gz BAQZDTJLPLZYPU-UHFFFAOYSA-N 1 2 333.307 3.516 20 5 EHBDLO Cc1cccc(C[N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000532920277 1029072533 /nfs/dbraw/zinc/07/25/33/1029072533.db2.gz ZJUXLFPLFQCHTM-UHFFFAOYSA-N 1 2 338.367 3.585 20 5 EHBDLO Cc1cccc(C[N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000532920277 1029072549 /nfs/dbraw/zinc/07/25/49/1029072549.db2.gz ZJUXLFPLFQCHTM-UHFFFAOYSA-N 1 2 338.367 3.585 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)cs1 ZINC000533100829 1029303986 /nfs/dbraw/zinc/30/39/86/1029303986.db2.gz QCPDMDMKWMLVPR-GFCCVEGCSA-N 1 2 338.816 3.963 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)cs1 ZINC000533100829 1029303998 /nfs/dbraw/zinc/30/39/98/1029303998.db2.gz QCPDMDMKWMLVPR-GFCCVEGCSA-N 1 2 338.816 3.963 20 5 EHBDLO Cc1cc(C)c(CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c[nH+]1 ZINC000454938023 1029476278 /nfs/dbraw/zinc/47/62/78/1029476278.db2.gz DSCLXLYYBVIABK-UHFFFAOYSA-N 1 2 328.372 3.545 20 5 EHBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2cnc(-c3ccccc3)[nH]2)c(Cl)c1 ZINC000183806499 1029575093 /nfs/dbraw/zinc/57/50/93/1029575093.db2.gz GZRRSRXOEQDNOO-UHFFFAOYSA-N 1 2 342.786 3.928 20 5 EHBDLO O=[N+]([O-])c1ccc(OCCC[N@@H+]2Cc3ccccc3C(F)(F)C2)cc1 ZINC001168274780 1029655190 /nfs/dbraw/zinc/65/51/90/1029655190.db2.gz JDTOMSWYOIVFBN-UHFFFAOYSA-N 1 2 348.349 3.971 20 5 EHBDLO O=[N+]([O-])c1ccc(OCCC[N@H+]2Cc3ccccc3C(F)(F)C2)cc1 ZINC001168274780 1029655196 /nfs/dbraw/zinc/65/51/96/1029655196.db2.gz JDTOMSWYOIVFBN-UHFFFAOYSA-N 1 2 348.349 3.971 20 5 EHBDLO Cc1ccc([N+](=O)[O-])c(NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000446886993 1029847159 /nfs/dbraw/zinc/84/71/59/1029847159.db2.gz MOXOMQGHXPISJZ-UHFFFAOYSA-N 1 2 326.400 3.901 20 5 EHBDLO Cc1cc(C)c(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC000414781428 1030075980 /nfs/dbraw/zinc/07/59/80/1030075980.db2.gz HYDFIVJXDSQFON-JKSUJKDBSA-N 1 2 325.368 3.657 20 5 EHBDLO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000572980951 1030129419 /nfs/dbraw/zinc/12/94/19/1030129419.db2.gz XVBMJJKQEKDPQY-TZMCWYRMSA-N 1 2 330.359 3.818 20 5 EHBDLO C[C@H](O)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1F ZINC000593659841 1033634713 /nfs/dbraw/zinc/63/47/13/1033634713.db2.gz WMRBCVVRMWAROS-QFYYESIMSA-N 1 2 338.766 3.599 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000595030578 1033653825 /nfs/dbraw/zinc/65/38/25/1033653825.db2.gz SDFXVQGUURDBFW-CYBMUJFWSA-N 1 2 342.399 3.772 20 5 EHBDLO CC[C@@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000595415100 1033790696 /nfs/dbraw/zinc/79/06/96/1033790696.db2.gz JTXSYRHSUKNXDW-LLVKDONJSA-N 1 2 341.314 3.734 20 5 EHBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000608781935 1033886581 /nfs/dbraw/zinc/88/65/81/1033886581.db2.gz GMWCLOYJINGMFG-BLLLJJGKSA-N 1 2 330.384 4.000 20 5 EHBDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000603847280 1033972763 /nfs/dbraw/zinc/97/27/63/1033972763.db2.gz NMSRWLWRHNLBPE-CYBMUJFWSA-N 1 2 346.818 3.526 20 5 EHBDLO COC[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000588986499 1035032047 /nfs/dbraw/zinc/03/20/47/1035032047.db2.gz AAOQONUBDQHDOM-OAHLLOKOSA-N 1 2 338.766 3.865 20 5 EHBDLO COc1ncccc1C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180079643 1035371944 /nfs/dbraw/zinc/37/19/44/1035371944.db2.gz TZVJDZCNLDQLSU-LJQANCHMSA-N 1 2 349.390 3.878 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000535374907 1036414427 /nfs/dbraw/zinc/41/44/27/1036414427.db2.gz DNYWFWUZBMUMDZ-UHFFFAOYSA-N 1 2 331.416 3.520 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000535374907 1036414435 /nfs/dbraw/zinc/41/44/35/1036414435.db2.gz DNYWFWUZBMUMDZ-UHFFFAOYSA-N 1 2 331.416 3.520 20 5 EHBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](C)[C@@H]2c2ccccc2)c1 ZINC000589501434 1036439917 /nfs/dbraw/zinc/43/99/17/1036439917.db2.gz PECSTKLWVWHVLL-FZKQIMNGSA-N 1 2 340.379 3.574 20 5 EHBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H](C)[C@@H]2c2ccccc2)c1 ZINC000589501434 1036439932 /nfs/dbraw/zinc/43/99/32/1036439932.db2.gz PECSTKLWVWHVLL-FZKQIMNGSA-N 1 2 340.379 3.574 20 5 EHBDLO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1cccc2c1OCO2 ZINC000925515013 1037807439 /nfs/dbraw/zinc/80/74/39/1037807439.db2.gz RISYYKSRZLLCRA-SNVBAGLBSA-N 1 2 334.759 3.828 20 5 EHBDLO Cc1cc(NC2CCN(c3cccc[nH+]3)CC2)c(F)cc1[N+](=O)[O-] ZINC000461782503 1038608006 /nfs/dbraw/zinc/60/80/06/1038608006.db2.gz AABPUHFTAVSJBJ-UHFFFAOYSA-N 1 2 330.363 3.518 20 5 EHBDLO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1nnc(C3CC3)s1)CCCC2 ZINC000417330490 1039687446 /nfs/dbraw/zinc/68/74/46/1039687446.db2.gz DWKOTMGRSYVSSI-HNNXBMFYSA-N 1 2 344.440 3.881 20 5 EHBDLO COc1cccc(C[C@@H]2CCC[N@@H+]2Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000549770376 1039821443 /nfs/dbraw/zinc/82/14/43/1039821443.db2.gz AEPUOPLVHWZXKH-INIZCTEOSA-N 1 2 342.395 3.516 20 5 EHBDLO COc1cccc(C[C@@H]2CCC[N@H+]2Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000549770376 1039821472 /nfs/dbraw/zinc/82/14/72/1039821472.db2.gz AEPUOPLVHWZXKH-INIZCTEOSA-N 1 2 342.395 3.516 20 5 EHBDLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000342885060 1040268181 /nfs/dbraw/zinc/26/81/81/1040268181.db2.gz YNQKLNWJLZEPAT-UHFFFAOYSA-N 1 2 347.334 3.719 20 5 EHBDLO C[N@H+](CCC(F)(F)F)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000092479896 1040304911 /nfs/dbraw/zinc/30/49/11/1040304911.db2.gz XNQGZSZIMNWRDF-UHFFFAOYSA-N 1 2 328.237 3.580 20 5 EHBDLO C[N@@H+](CCC(F)(F)F)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000092479896 1040304927 /nfs/dbraw/zinc/30/49/27/1040304927.db2.gz XNQGZSZIMNWRDF-UHFFFAOYSA-N 1 2 328.237 3.580 20 5 EHBDLO Cc1cc([C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3C)CCO2)ccc1F ZINC000491142105 1040925717 /nfs/dbraw/zinc/92/57/17/1040925717.db2.gz YCVUVUDLXBMBLK-LJQANCHMSA-N 1 2 344.386 3.924 20 5 EHBDLO Cc1cc([C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3C)CCO2)ccc1F ZINC000491142105 1040925734 /nfs/dbraw/zinc/92/57/34/1040925734.db2.gz YCVUVUDLXBMBLK-LJQANCHMSA-N 1 2 344.386 3.924 20 5 EHBDLO Cc1cccc([N+](=O)[O-])c1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000512903099 1041194371 /nfs/dbraw/zinc/19/43/71/1041194371.db2.gz VSAIQYAEEFGYIS-UHFFFAOYSA-N 1 2 328.416 3.797 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)cs1 ZINC000066899137 1042277685 /nfs/dbraw/zinc/27/76/85/1042277685.db2.gz CLSQTCRPAYDTCS-CQSZACIVSA-N 1 2 346.408 3.765 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)cs1 ZINC000066899137 1042277686 /nfs/dbraw/zinc/27/76/86/1042277686.db2.gz CLSQTCRPAYDTCS-CQSZACIVSA-N 1 2 346.408 3.765 20 5 EHBDLO Cc1cc(C)c(CNC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)c[nH+]1 ZINC000909385804 1042416530 /nfs/dbraw/zinc/41/65/30/1042416530.db2.gz AEKYHVZRIPLQCY-UHFFFAOYSA-N 1 2 347.802 3.509 20 5 EHBDLO CC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCS1 ZINC000568121469 1042649536 /nfs/dbraw/zinc/64/95/36/1042649536.db2.gz XWUPZKZHNYBWJZ-LBPRGKRZSA-N 1 2 334.363 3.941 20 5 EHBDLO CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCS1 ZINC000568121469 1042649539 /nfs/dbraw/zinc/64/95/39/1042649539.db2.gz XWUPZKZHNYBWJZ-LBPRGKRZSA-N 1 2 334.363 3.941 20 5 EHBDLO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1(CC)CC ZINC001167820815 1042906691 /nfs/dbraw/zinc/90/66/91/1042906691.db2.gz WUSMMBICVPLTBQ-DLBZAZTESA-N 1 2 336.432 3.716 20 5 EHBDLO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1(CC)CC ZINC001167820815 1042906694 /nfs/dbraw/zinc/90/66/94/1042906694.db2.gz WUSMMBICVPLTBQ-DLBZAZTESA-N 1 2 336.432 3.716 20 5 EHBDLO Cc1cn2c([nH+]1)[C@H](CNc1ccnc3c1cccc3[N+](=O)[O-])CCC2 ZINC000432342565 1042975540 /nfs/dbraw/zinc/97/55/40/1042975540.db2.gz LEUZCUGJRKWUNJ-ZDUSSCGKSA-N 1 2 337.383 3.637 20 5 EHBDLO C[C@@H]1CC[C@H](OC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC001126303417 1043003561 /nfs/dbraw/zinc/00/35/61/1043003561.db2.gz IXRMCQRQEBVXTL-IGCXYCKISA-N 1 2 343.383 3.762 20 5 EHBDLO C[NH+](C)[C@@H](CNc1cccc(F)c1[N+](=O)[O-])c1c(F)cccc1F ZINC000301298057 1127734915 /nfs/dbraw/zinc/73/49/15/1127734915.db2.gz PUMPOBDRLKCVSO-AWEZNQCLSA-N 1 2 339.317 3.727 20 5 EHBDLO C[C@H]([NH2+]Cc1ccn(-c2ccc(F)cc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000090943973 1127892248 /nfs/dbraw/zinc/89/22/48/1127892248.db2.gz QSLVZSCOMMRWJX-ZDUSSCGKSA-N 1 2 340.358 3.770 20 5 EHBDLO Cn1c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)nc2cc(Cl)ccc21 ZINC000494450144 1120562138 /nfs/dbraw/zinc/56/21/38/1120562138.db2.gz CJSFAEXFTKSXBX-UHFFFAOYSA-N 1 2 348.765 3.564 20 5 EHBDLO CC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1c(C)noc1C ZINC000182422038 1125277746 /nfs/dbraw/zinc/27/77/46/1125277746.db2.gz MLKMXVKSQPRDRG-LBPRGKRZSA-N 1 2 330.344 3.582 20 5 EHBDLO CN1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)Cc2ccccc21 ZINC000735492343 1131353625 /nfs/dbraw/zinc/35/36/25/1131353625.db2.gz PHLJQYICYPZUTK-UHFFFAOYSA-N 1 2 331.803 3.700 20 5 EHBDLO CN1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)Cc2ccccc21 ZINC000735492343 1131353632 /nfs/dbraw/zinc/35/36/32/1131353632.db2.gz PHLJQYICYPZUTK-UHFFFAOYSA-N 1 2 331.803 3.700 20 5 EHBDLO Cc1ccc(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000130985642 1129185085 /nfs/dbraw/zinc/18/50/85/1129185085.db2.gz MKULTUNQROCODJ-UHFFFAOYSA-N 1 2 339.395 3.506 20 5 EHBDLO Cc1ccc(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000130985642 1129185087 /nfs/dbraw/zinc/18/50/87/1129185087.db2.gz MKULTUNQROCODJ-UHFFFAOYSA-N 1 2 339.395 3.506 20 5 EHBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1c[nH]nc1-c1cccs1)CC2 ZINC000093338275 1129584606 /nfs/dbraw/zinc/58/46/06/1129584606.db2.gz JHSMPQDWRBQRNV-UHFFFAOYSA-N 1 2 340.408 3.605 20 5 EHBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1c[nH]nc1-c1cccs1)CC2 ZINC000093338275 1129584609 /nfs/dbraw/zinc/58/46/09/1129584609.db2.gz JHSMPQDWRBQRNV-UHFFFAOYSA-N 1 2 340.408 3.605 20 5 EHBDLO COc1cc(NCc2ccccc2-n2cc[nH+]c2)c([N+](=O)[O-])cc1F ZINC000302666524 1129784633 /nfs/dbraw/zinc/78/46/33/1129784633.db2.gz MSMSEYCGZGWNER-UHFFFAOYSA-N 1 2 342.330 3.540 20 5 EHBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(F)c2)no1 ZINC000174665115 1130376687 /nfs/dbraw/zinc/37/66/87/1130376687.db2.gz GZHCJXYWQYSYIO-LLVKDONJSA-N 1 2 342.330 3.635 20 5 EHBDLO O=[N+]([O-])c1ccc(-c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)s1 ZINC001212585583 1132684526 /nfs/dbraw/zinc/68/45/26/1132684526.db2.gz RGTAUMZZKNWMFZ-UHFFFAOYSA-N 1 2 339.336 3.559 20 5 EHBDLO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000773540402 1132808006 /nfs/dbraw/zinc/80/80/06/1132808006.db2.gz IQSOYNAPZSPVLS-UHFFFAOYSA-N 1 2 343.383 3.943 20 5 EHBDLO COc1c(O)ccc(C[N@H+](Cc2cccc(F)c2)C2CC2)c1[N+](=O)[O-] ZINC001180558541 1133391384 /nfs/dbraw/zinc/39/13/84/1133391384.db2.gz OQNXBVBHNUYPGQ-UHFFFAOYSA-N 1 2 346.358 3.613 20 5 EHBDLO COc1c(O)ccc(C[N@@H+](Cc2cccc(F)c2)C2CC2)c1[N+](=O)[O-] ZINC001180558541 1133391390 /nfs/dbraw/zinc/39/13/90/1133391390.db2.gz OQNXBVBHNUYPGQ-UHFFFAOYSA-N 1 2 346.358 3.613 20 5 EHBDLO CCO[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809947239 1135905070 /nfs/dbraw/zinc/90/50/70/1135905070.db2.gz ARTAWDAFRZFMSG-LBPRGKRZSA-N 1 2 333.215 3.903 20 5 EHBDLO CCO[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809947239 1135905074 /nfs/dbraw/zinc/90/50/74/1135905074.db2.gz ARTAWDAFRZFMSG-LBPRGKRZSA-N 1 2 333.215 3.903 20 5 EHBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](CC=C(Cl)Cl)CC2)cc1 ZINC000851790539 1136407398 /nfs/dbraw/zinc/40/73/98/1136407398.db2.gz LCHAQLUSLWLIBP-UHFFFAOYSA-N 1 2 331.199 3.757 20 5 EHBDLO CCn1cc(C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C(C)C)cn1 ZINC000844417358 1137219167 /nfs/dbraw/zinc/21/91/67/1137219167.db2.gz LPZYZXRMZIYUHM-UHFFFAOYSA-N 1 2 336.823 3.875 20 5 EHBDLO CCn1cc(C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C(C)C)cn1 ZINC000844417358 1137219168 /nfs/dbraw/zinc/21/91/68/1137219168.db2.gz LPZYZXRMZIYUHM-UHFFFAOYSA-N 1 2 336.823 3.875 20 5 EHBDLO COc1ccc2c(c1)OCC[C@H]2[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872038861 1137566984 /nfs/dbraw/zinc/56/69/84/1137566984.db2.gz PJWJRNWAHQQGKH-XHDPSFHLSA-N 1 2 346.358 3.917 20 5 EHBDLO C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccc(C(F)(F)F)nc1 ZINC000880101942 1137768339 /nfs/dbraw/zinc/76/83/39/1137768339.db2.gz SZFBAKYRBQEZNH-VIFPVBQESA-N 1 2 343.280 3.999 20 5 EHBDLO Cc1c(C[NH2+][C@@H](COCC(C)C)c2ccco2)cccc1[N+](=O)[O-] ZINC000184194673 1140086783 /nfs/dbraw/zinc/08/67/83/1140086783.db2.gz AADSGZXVEQJVKT-INIZCTEOSA-N 1 2 332.400 4.000 20 5 EHBDLO CC[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000610420483 1019022108 /nfs/dbraw/zinc/02/21/08/1019022108.db2.gz VCLSYLOLPCMMRS-ZFWWWQNUSA-N 1 2 343.431 3.715 20 5 EHBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cccc(F)c1Br ZINC000156739089 1020295964 /nfs/dbraw/zinc/29/59/64/1020295964.db2.gz CYVFNVRDXXGDDL-UHFFFAOYSA-N 1 2 339.164 3.786 20 5 EHBDLO C[NH+](C)[C@@H](CNCc1cc([N+](=O)[O-])ccc1Cl)c1cccs1 ZINC000237160559 1022424249 /nfs/dbraw/zinc/42/42/49/1022424249.db2.gz AFLQVYQMXXCUOT-AWEZNQCLSA-N 1 2 339.848 3.702 20 5 EHBDLO CC(C)(C)c1ccncc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602689408 1033068578 /nfs/dbraw/zinc/06/85/78/1033068578.db2.gz HEELPQYSIQJNAB-UHFFFAOYSA-N 1 2 340.383 3.718 20 5 EHBDLO COc1ccc(F)c(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000507243696 1023209997 /nfs/dbraw/zinc/20/99/97/1023209997.db2.gz NRYFZODWULWAGO-UHFFFAOYSA-N 1 2 330.359 3.907 20 5 EHBDLO COc1ccc(F)c(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000507243696 1023210002 /nfs/dbraw/zinc/21/00/02/1023210002.db2.gz NRYFZODWULWAGO-UHFFFAOYSA-N 1 2 330.359 3.907 20 5 EHBDLO O=[N+]([O-])c1cc(F)ccc1NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000063254614 1033144076 /nfs/dbraw/zinc/14/40/76/1033144076.db2.gz GFBASMXXQGOGLM-UHFFFAOYSA-N 1 2 330.294 3.671 20 5 EHBDLO CC[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000598460313 1033225917 /nfs/dbraw/zinc/22/59/17/1033225917.db2.gz BVXCSEGJBYJUQU-DZGCQCFKSA-N 1 2 342.399 3.574 20 5 EHBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000544530206 1025590898 /nfs/dbraw/zinc/59/08/98/1025590898.db2.gz SGMZOVDWBHBDGJ-UZLBHIALSA-N 1 2 340.423 3.989 20 5 EHBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000544530206 1025590913 /nfs/dbraw/zinc/59/09/13/1025590913.db2.gz SGMZOVDWBHBDGJ-UZLBHIALSA-N 1 2 340.423 3.989 20 5 EHBDLO CCc1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000015657606 1025751415 /nfs/dbraw/zinc/75/14/15/1025751415.db2.gz BATAHZIOMPQEQY-UHFFFAOYSA-N 1 2 336.351 3.595 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000338923441 1026273865 /nfs/dbraw/zinc/27/38/65/1026273865.db2.gz VDTKFFIWSLHDQN-MRXNPFEDSA-N 1 2 330.359 3.647 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000338923441 1026273880 /nfs/dbraw/zinc/27/38/80/1026273880.db2.gz VDTKFFIWSLHDQN-MRXNPFEDSA-N 1 2 330.359 3.647 20 5 EHBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H](CC(F)(F)F)C3)nc2c1 ZINC000420948688 1027913559 /nfs/dbraw/zinc/91/35/59/1027913559.db2.gz OCCGYWMLVNPWEU-SNVBAGLBSA-N 1 2 342.321 3.636 20 5 EHBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H](CC(F)(F)F)C3)nc2c1 ZINC000420948688 1027913574 /nfs/dbraw/zinc/91/35/74/1027913574.db2.gz OCCGYWMLVNPWEU-SNVBAGLBSA-N 1 2 342.321 3.636 20 5 EHBDLO Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000513761748 1029006118 /nfs/dbraw/zinc/00/61/18/1029006118.db2.gz OEVMLIBODNLMKU-HNAYVOBHSA-N 1 2 326.396 3.865 20 5 EHBDLO Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000513761748 1029006126 /nfs/dbraw/zinc/00/61/26/1029006126.db2.gz OEVMLIBODNLMKU-HNAYVOBHSA-N 1 2 326.396 3.865 20 5 EHBDLO Cc1noc(C[NH2+]C(C)(C)c2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000595307164 1033737940 /nfs/dbraw/zinc/73/79/40/1033737940.db2.gz HYUPUGLUXSBXCU-UHFFFAOYSA-N 1 2 343.305 3.935 20 5 EHBDLO Cc1noc(C[NH2+][C@H](C)c2ccc(OCC3CC3)c(F)c2)c1[N+](=O)[O-] ZINC000595420115 1033793948 /nfs/dbraw/zinc/79/39/48/1033793948.db2.gz NTAQDJHPFDTSDP-SNVBAGLBSA-N 1 2 349.362 3.670 20 5 EHBDLO Cc1noc(C[NH2+][C@H](c2ccc(F)c(Cl)c2)C2CC2)c1[N+](=O)[O-] ZINC000595511078 1033836977 /nfs/dbraw/zinc/83/69/77/1033836977.db2.gz OYNZOCYTBHDXKO-AWEZNQCLSA-N 1 2 339.754 3.925 20 5 EHBDLO COCc1cc[nH+]c(N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000593724675 1033864909 /nfs/dbraw/zinc/86/49/09/1033864909.db2.gz GHQOCLPICHDGTD-INIZCTEOSA-N 1 2 327.384 3.971 20 5 EHBDLO Cc1cc(Nc2ncc([N+](=O)[O-])c(C)n2)c[nH+]c1N1CCCC[C@@H]1C ZINC000450432742 1034321206 /nfs/dbraw/zinc/32/12/06/1034321206.db2.gz HZBOLJWBLLIWMY-LBPRGKRZSA-N 1 2 342.403 3.519 20 5 EHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](Cc1cccs1)C1CC1 ZINC000044898062 1035510925 /nfs/dbraw/zinc/51/09/25/1035510925.db2.gz PHVLAKXYVHFHHY-UHFFFAOYSA-N 1 2 345.424 3.568 20 5 EHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](Cc1cccs1)C1CC1 ZINC000044898062 1035510932 /nfs/dbraw/zinc/51/09/32/1035510932.db2.gz PHVLAKXYVHFHHY-UHFFFAOYSA-N 1 2 345.424 3.568 20 5 EHBDLO COc1cc(C[N@@H+]2C[C@H](C)[C@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000464680033 1036653844 /nfs/dbraw/zinc/65/38/44/1036653844.db2.gz YSOMDBLQDICXDY-SGTLLEGYSA-N 1 2 330.359 3.936 20 5 EHBDLO COc1cc(C[N@H+]2C[C@H](C)[C@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000464680033 1036653846 /nfs/dbraw/zinc/65/38/46/1036653846.db2.gz YSOMDBLQDICXDY-SGTLLEGYSA-N 1 2 330.359 3.936 20 5 EHBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000269684739 1036717653 /nfs/dbraw/zinc/71/76/53/1036717653.db2.gz ZOJCKBWHDLLJNG-JTQLQIEISA-N 1 2 342.321 3.540 20 5 EHBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000269684739 1036717676 /nfs/dbraw/zinc/71/76/76/1036717676.db2.gz ZOJCKBWHDLLJNG-JTQLQIEISA-N 1 2 342.321 3.540 20 5 EHBDLO C[C@H](C[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000897460709 1037847085 /nfs/dbraw/zinc/84/70/85/1037847085.db2.gz VCEZSLGTLBEKLY-CXAGYDPISA-N 1 2 343.431 3.728 20 5 EHBDLO CCOc1cc(NCc2cccc(-n3cc[nH+]c3)c2)ccc1[N+](=O)[O-] ZINC000486948504 1040579576 /nfs/dbraw/zinc/57/95/76/1040579576.db2.gz XHQNFXVTFCUMME-UHFFFAOYSA-N 1 2 338.367 3.791 20 5 EHBDLO CCO[C@H]1C[C@H]([N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1(CC)CC ZINC001167820817 1042906741 /nfs/dbraw/zinc/90/67/41/1042906741.db2.gz WUSMMBICVPLTBQ-IRXDYDNUSA-N 1 2 336.432 3.716 20 5 EHBDLO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1(CC)CC ZINC001167820817 1042906744 /nfs/dbraw/zinc/90/67/44/1042906744.db2.gz WUSMMBICVPLTBQ-IRXDYDNUSA-N 1 2 336.432 3.716 20 5 EHBDLO O=[N+]([O-])c1ccccc1C[NH+]1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000076182550 1125606431 /nfs/dbraw/zinc/60/64/31/1125606431.db2.gz LLCZIFJSKKMTLO-UWVGGRQHSA-N 1 2 342.239 3.767 20 5 EHBDLO CC(=O)Nc1ccccc1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154321069 1125711371 /nfs/dbraw/zinc/71/13/71/1125711371.db2.gz RIXDSHYAPKDVJW-UHFFFAOYSA-N 1 2 339.395 3.718 20 5 EHBDLO CC(=O)Nc1ccccc1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154321069 1125711377 /nfs/dbraw/zinc/71/13/77/1125711377.db2.gz RIXDSHYAPKDVJW-UHFFFAOYSA-N 1 2 339.395 3.718 20 5 EHBDLO CN1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])Cc2ccccc21 ZINC000609705061 1123647867 /nfs/dbraw/zinc/64/78/67/1123647867.db2.gz LVVGGODFNCRYTA-UHFFFAOYSA-N 1 2 331.803 3.700 20 5 EHBDLO CN1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])Cc2ccccc21 ZINC000609705061 1123647870 /nfs/dbraw/zinc/64/78/70/1123647870.db2.gz LVVGGODFNCRYTA-UHFFFAOYSA-N 1 2 331.803 3.700 20 5 EHBDLO CCOc1ccc([C@@H](C)[NH2+][C@@H](COC)c2ccc(C)o2)cc1[N+](=O)[O-] ZINC000154105269 1129532949 /nfs/dbraw/zinc/53/29/49/1129532949.db2.gz KGOPHNDGWNDPSO-HIFRSBDPSA-N 1 2 348.399 3.933 20 5 EHBDLO C[C@H](CNc1c(Cl)cc([N+](=O)[O-])cc1Cl)Cn1cc[nH+]c1 ZINC000302248670 1129774166 /nfs/dbraw/zinc/77/41/66/1129774166.db2.gz VIVWZHKQWCWDPE-SECBINFHSA-N 1 2 329.187 3.846 20 5 EHBDLO O=[N+]([O-])c1ccc(N2CCC[C@@H](n3cc[nH+]c3)C2)c(C(F)(F)F)c1 ZINC000742400842 1131725875 /nfs/dbraw/zinc/72/58/75/1131725875.db2.gz ILZBMFZQDFQLCU-GFCCVEGCSA-N 1 2 340.305 3.652 20 5 EHBDLO CCCCCCOC(=O)C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899671 1131882633 /nfs/dbraw/zinc/88/26/33/1131882633.db2.gz DTGXJRTXLWKMSY-QGZVFWFLSA-N 1 2 348.443 3.555 20 5 EHBDLO COc1ccc(Nc2cc[nH+]c3ccc(Cl)cc23)cc1[N+](=O)[O-] ZINC001176360594 1132920588 /nfs/dbraw/zinc/92/05/88/1132920588.db2.gz SNGCYSMUHVBCED-UHFFFAOYSA-N 1 2 329.743 3.971 20 5 EHBDLO O=[N+]([O-])c1cc(Cl)c(N2CCC[C@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000772041559 1133632174 /nfs/dbraw/zinc/63/21/74/1133632174.db2.gz KHSQHHMGTUWYME-JTQLQIEISA-N 1 2 341.198 3.940 20 5 EHBDLO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1nc2ccccc2n1C ZINC000774467019 1133684419 /nfs/dbraw/zinc/68/44/19/1133684419.db2.gz YLXRBWWDUFEWDF-NSHDSACASA-N 1 2 344.802 3.986 20 5 EHBDLO COc1nc(C)cc(C)c1C[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001183065595 1133765082 /nfs/dbraw/zinc/76/50/82/1133765082.db2.gz MPCMZRBKPIYMJW-UHFFFAOYSA-N 1 2 349.818 3.901 20 5 EHBDLO COc1nc(C)cc(C)c1C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001183065595 1133765085 /nfs/dbraw/zinc/76/50/85/1133765085.db2.gz MPCMZRBKPIYMJW-UHFFFAOYSA-N 1 2 349.818 3.901 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000774837305 1134043652 /nfs/dbraw/zinc/04/36/52/1134043652.db2.gz PGVCOOKUQYTPPF-MRXNPFEDSA-N 1 2 345.330 3.979 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000774837305 1134043659 /nfs/dbraw/zinc/04/36/59/1134043659.db2.gz PGVCOOKUQYTPPF-MRXNPFEDSA-N 1 2 345.330 3.979 20 5 EHBDLO Cc1nn(C)c(Cl)c1C[N@@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000788005203 1134063419 /nfs/dbraw/zinc/06/34/19/1134063419.db2.gz BRUDCWAGLKXRLT-LBPRGKRZSA-N 1 2 336.823 3.792 20 5 EHBDLO Cc1nn(C)c(Cl)c1C[N@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000788005203 1134063427 /nfs/dbraw/zinc/06/34/27/1134063427.db2.gz BRUDCWAGLKXRLT-LBPRGKRZSA-N 1 2 336.823 3.792 20 5 EHBDLO CC(C)(C)c1cn(Cc2ccc(Br)c([N+](=O)[O-])c2)c[nH+]1 ZINC001189875829 1134632831 /nfs/dbraw/zinc/63/28/31/1134632831.db2.gz GOJZSWARAHDBOK-UHFFFAOYSA-N 1 2 338.205 3.900 20 5 EHBDLO C[C@]12CC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@H]1C2(Cl)Cl ZINC000792907495 1134819731 /nfs/dbraw/zinc/81/97/31/1134819731.db2.gz KZPPSEIGZVCJGJ-OLZOCXBDSA-N 1 2 333.190 3.750 20 5 EHBDLO C[C@]12CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@H]1C2(Cl)Cl ZINC000792907495 1134819734 /nfs/dbraw/zinc/81/97/34/1134819734.db2.gz KZPPSEIGZVCJGJ-OLZOCXBDSA-N 1 2 333.190 3.750 20 5 EHBDLO CC[C@@]1(CO)CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809981920 1135908159 /nfs/dbraw/zinc/90/81/59/1135908159.db2.gz ATBCUXAGOPSJRV-OAHLLOKOSA-N 1 2 347.242 3.886 20 5 EHBDLO CC[C@@]1(CO)CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809981920 1135908163 /nfs/dbraw/zinc/90/81/63/1135908163.db2.gz ATBCUXAGOPSJRV-OAHLLOKOSA-N 1 2 347.242 3.886 20 5 EHBDLO CN(C)c1ccc(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c[nH+]1 ZINC001201365974 1136009161 /nfs/dbraw/zinc/00/91/61/1136009161.db2.gz YREIBOCIXJZDIA-UHFFFAOYSA-N 1 2 338.367 3.928 20 5 EHBDLO COc1cc(C)[nH+]c(CSCc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000776907075 1136824454 /nfs/dbraw/zinc/82/44/54/1136824454.db2.gz SCRRYMNNGLRWRY-UHFFFAOYSA-N 1 2 334.397 3.749 20 5 EHBDLO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000872047684 1137567720 /nfs/dbraw/zinc/56/77/20/1137567720.db2.gz COJRLOYNOCUDQC-QMTHXVAHSA-N 1 2 332.429 3.768 20 5 EHBDLO COc1ccc([C@@H]2C[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CCO2)cc1 ZINC000879631823 1137752872 /nfs/dbraw/zinc/75/28/72/1137752872.db2.gz RDCOTEGKCKYPBU-LIRRHRJNSA-N 1 2 342.395 3.738 20 5 EHBDLO COc1ccc([C@@H]2C[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CCO2)cc1 ZINC000879631823 1137752873 /nfs/dbraw/zinc/75/28/73/1137752873.db2.gz RDCOTEGKCKYPBU-LIRRHRJNSA-N 1 2 342.395 3.738 20 5 EHBDLO Cn1cc([C@@H]2CCCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000331926327 1137925908 /nfs/dbraw/zinc/92/59/08/1137925908.db2.gz PBZJTETUTFVQSI-INIZCTEOSA-N 1 2 334.807 3.709 20 5 EHBDLO Cn1cc([C@@H]2CCCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000331926327 1137925909 /nfs/dbraw/zinc/92/59/09/1137925909.db2.gz PBZJTETUTFVQSI-INIZCTEOSA-N 1 2 334.807 3.709 20 5 EHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000128040480 1138378787 /nfs/dbraw/zinc/37/87/87/1138378787.db2.gz QKIXBJOZYXRIOP-AWEZNQCLSA-N 1 2 329.400 3.970 20 5 EHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000128040480 1138378789 /nfs/dbraw/zinc/37/87/89/1138378789.db2.gz QKIXBJOZYXRIOP-AWEZNQCLSA-N 1 2 329.400 3.970 20 5 EHBDLO CC[C@@](C)([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])c1nccs1 ZINC000184262360 1140091167 /nfs/dbraw/zinc/09/11/67/1140091167.db2.gz FYESBYVDHMHCCV-OAHLLOKOSA-N 1 2 339.392 3.614 20 5 EHBDLO COC[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000193276884 1140569804 /nfs/dbraw/zinc/56/98/04/1140569804.db2.gz APBBTMVEABPSFF-ZDUSSCGKSA-N 1 2 326.805 3.787 20 5 EHBDLO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000126885423 1015068883 /nfs/dbraw/zinc/06/88/83/1015068883.db2.gz IZSMFGNYLJWTIH-FZKQIMNGSA-N 1 2 330.359 3.696 20 5 EHBDLO C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000126885423 1015068892 /nfs/dbraw/zinc/06/88/92/1015068892.db2.gz IZSMFGNYLJWTIH-FZKQIMNGSA-N 1 2 330.359 3.696 20 5 EHBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@H]3c3ccccc3)o2)cc1 ZINC000348524905 1032313948 /nfs/dbraw/zinc/31/39/48/1032313948.db2.gz KQLJNSZMLVQASS-INIZCTEOSA-N 1 2 336.351 3.592 20 5 EHBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@H]3c3ccccc3)o2)cc1 ZINC000348524905 1032313959 /nfs/dbraw/zinc/31/39/59/1032313959.db2.gz KQLJNSZMLVQASS-INIZCTEOSA-N 1 2 336.351 3.592 20 5 EHBDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000610281482 1017615602 /nfs/dbraw/zinc/61/56/02/1017615602.db2.gz BDYRZQUGVPCQBX-ZDUSSCGKSA-N 1 2 346.818 3.526 20 5 EHBDLO CCn1cc(C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C(C)C)cn1 ZINC000593078940 1032773961 /nfs/dbraw/zinc/77/39/61/1032773961.db2.gz ABEXFXHXEWYEJU-UHFFFAOYSA-N 1 2 336.823 3.875 20 5 EHBDLO CCn1cc(C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C(C)C)cn1 ZINC000593078940 1032773978 /nfs/dbraw/zinc/77/39/78/1032773978.db2.gz ABEXFXHXEWYEJU-UHFFFAOYSA-N 1 2 336.823 3.875 20 5 EHBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000015548914 1018757762 /nfs/dbraw/zinc/75/77/62/1018757762.db2.gz ZFEATQULNHRVDI-GFCCVEGCSA-N 1 2 347.802 3.880 20 5 EHBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000015548914 1018757773 /nfs/dbraw/zinc/75/77/73/1018757773.db2.gz ZFEATQULNHRVDI-GFCCVEGCSA-N 1 2 347.802 3.880 20 5 EHBDLO O=[N+]([O-])c1ccc(-c2noc(-c3cccc(Cn4cc[nH+]c4)c3)n2)cc1 ZINC000345696639 1020439454 /nfs/dbraw/zinc/43/94/54/1020439454.db2.gz WDWHGMHXSGHRNW-UHFFFAOYSA-N 1 2 347.334 3.557 20 5 EHBDLO C[C@@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)c1ccc([N+](=O)[O-])cc1 ZINC000178068516 1021108747 /nfs/dbraw/zinc/10/87/47/1021108747.db2.gz MUNOUYMIAUVZSJ-KGLIPLIRSA-N 1 2 337.383 3.587 20 5 EHBDLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000023889602 1021812781 /nfs/dbraw/zinc/81/27/81/1021812781.db2.gz DFOMCXDMIKEUQZ-UHFFFAOYSA-N 1 2 342.742 3.686 20 5 EHBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000444013145 1025181110 /nfs/dbraw/zinc/18/11/10/1025181110.db2.gz XTEVRXIKKXFXEO-UHFFFAOYSA-N 1 2 341.411 3.557 20 5 EHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000347003037 1025418348 /nfs/dbraw/zinc/41/83/48/1025418348.db2.gz XIWBSZNVMCCTSR-KRWDZBQOSA-N 1 2 327.384 3.726 20 5 EHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000347003037 1025418349 /nfs/dbraw/zinc/41/83/49/1025418349.db2.gz XIWBSZNVMCCTSR-KRWDZBQOSA-N 1 2 327.384 3.726 20 5 EHBDLO C[N@H+](CCCOc1ccc(F)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505780823 1025514820 /nfs/dbraw/zinc/51/48/20/1025514820.db2.gz CFUFQZTYOBYRRT-UHFFFAOYSA-N 1 2 336.338 3.774 20 5 EHBDLO C[N@@H+](CCCOc1ccc(F)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505780823 1025514837 /nfs/dbraw/zinc/51/48/37/1025514837.db2.gz CFUFQZTYOBYRRT-UHFFFAOYSA-N 1 2 336.338 3.774 20 5 EHBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1nccn1C(F)F ZINC000347358234 1026274096 /nfs/dbraw/zinc/27/40/96/1026274096.db2.gz GJKBHTAVEYASMG-WQLSENKSSA-N 1 2 336.342 3.722 20 5 EHBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1nccn1C(F)F ZINC000347358234 1026274108 /nfs/dbraw/zinc/27/41/08/1026274108.db2.gz GJKBHTAVEYASMG-WQLSENKSSA-N 1 2 336.342 3.722 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H]1CCC[C@H]1OCc1ccccc1 ZINC000339185692 1026419053 /nfs/dbraw/zinc/41/90/53/1026419053.db2.gz QIFUBISRPRIGIQ-PKOBYXMFSA-N 1 2 342.395 3.528 20 5 EHBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC000502732036 1028616273 /nfs/dbraw/zinc/61/62/73/1028616273.db2.gz IFFLSCMEVPNPDY-HNNXBMFYSA-N 1 2 343.402 3.613 20 5 EHBDLO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000502732036 1028616282 /nfs/dbraw/zinc/61/62/82/1028616282.db2.gz IFFLSCMEVPNPDY-HNNXBMFYSA-N 1 2 343.402 3.613 20 5 EHBDLO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000572980950 1030127422 /nfs/dbraw/zinc/12/74/22/1030127422.db2.gz XVBMJJKQEKDPQY-OCCSQVGLSA-N 1 2 330.359 3.818 20 5 EHBDLO CCCCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H](C)CC ZINC000448940240 1031957781 /nfs/dbraw/zinc/95/77/81/1031957781.db2.gz ZYHNSTNIEOUKAU-AWEZNQCLSA-N 1 2 344.415 3.821 20 5 EHBDLO C[C@H]1C[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H](C)S1 ZINC000535084694 1035981501 /nfs/dbraw/zinc/98/15/01/1035981501.db2.gz UVPJZKMVXQOCJF-UWVGGRQHSA-N 1 2 332.372 3.522 20 5 EHBDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000180521865 1036912104 /nfs/dbraw/zinc/91/21/04/1036912104.db2.gz ARXSLROVHHBQMJ-AWEZNQCLSA-N 1 2 334.807 3.925 20 5 EHBDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000180521865 1036912116 /nfs/dbraw/zinc/91/21/16/1036912116.db2.gz ARXSLROVHHBQMJ-AWEZNQCLSA-N 1 2 334.807 3.925 20 5 EHBDLO Cc1cc(C)c(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000906914822 1039808947 /nfs/dbraw/zinc/80/89/47/1039808947.db2.gz XQYRXJCBTTVVDN-ZDUSSCGKSA-N 1 2 327.384 3.714 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c(Cl)c1 ZINC000571211716 1041254919 /nfs/dbraw/zinc/25/49/19/1041254919.db2.gz LOYNSERWAVLEOK-JKSUJKDBSA-N 1 2 336.819 3.782 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c(Cl)c1 ZINC000571211716 1041254928 /nfs/dbraw/zinc/25/49/28/1041254928.db2.gz LOYNSERWAVLEOK-JKSUJKDBSA-N 1 2 336.819 3.782 20 5 EHBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1OCCc2ccccc21 ZINC000734484720 1131240388 /nfs/dbraw/zinc/24/03/88/1131240388.db2.gz ZXFMQOGWIFHXGI-GOSISDBHSA-N 1 2 346.814 3.994 20 5 EHBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1OCCc2ccccc21 ZINC000734484720 1131240392 /nfs/dbraw/zinc/24/03/92/1131240392.db2.gz ZXFMQOGWIFHXGI-GOSISDBHSA-N 1 2 346.814 3.994 20 5 EHBDLO COc1ccc([N+](=O)[O-])c(NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000338655757 1128000023 /nfs/dbraw/zinc/00/00/23/1128000023.db2.gz ITCTUHUPVTXAQB-UHFFFAOYSA-N 1 2 342.330 3.540 20 5 EHBDLO CCOc1cc(NCc2cc[nH+]c(N3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000301497568 1128483677 /nfs/dbraw/zinc/48/36/77/1128483677.db2.gz BTRFSFOQNDPKLD-UHFFFAOYSA-N 1 2 342.399 3.601 20 5 EHBDLO CCOc1cc(NCc2ccc(-n3cc[nH+]c3)cc2)ccc1[N+](=O)[O-] ZINC000301545828 1128495981 /nfs/dbraw/zinc/49/59/81/1128495981.db2.gz UBBDITZPOULGBD-UHFFFAOYSA-N 1 2 338.367 3.791 20 5 EHBDLO CCC[C@H](C)c1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000761831219 1120975354 /nfs/dbraw/zinc/97/53/54/1120975354.db2.gz AYLGMDKTYPEETG-NSHDSACASA-N 1 2 327.344 3.734 20 5 EHBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2cccc(F)c2F)CC1 ZINC000487991876 1121546730 /nfs/dbraw/zinc/54/67/30/1121546730.db2.gz UFBFZIRGOJPFDP-CYBMUJFWSA-N 1 2 347.365 3.756 20 5 EHBDLO CC(C)(C)c1ccc(C(=O)Nc2ccc3[nH+]ccn3c2)cc1[N+](=O)[O-] ZINC000609623088 1123627149 /nfs/dbraw/zinc/62/71/49/1123627149.db2.gz KTAFPAMFWHNYPF-UHFFFAOYSA-N 1 2 338.367 3.792 20 5 EHBDLO CC[C@H]1c2ccccc2CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618281990 1125035844 /nfs/dbraw/zinc/03/58/44/1125035844.db2.gz BYOVSEPXYHVGNO-SFHVURJKSA-N 1 2 336.395 3.981 20 5 EHBDLO CC[C@H]1c2ccccc2CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618281990 1125035852 /nfs/dbraw/zinc/03/58/52/1125035852.db2.gz BYOVSEPXYHVGNO-SFHVURJKSA-N 1 2 336.395 3.981 20 5 EHBDLO COc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000070696048 1129520140 /nfs/dbraw/zinc/52/01/40/1129520140.db2.gz HZXUJHYGIPXKSH-IFXJQAMLSA-N 1 2 342.395 3.565 20 5 EHBDLO COc1ccc(C[N@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000070696048 1129520143 /nfs/dbraw/zinc/52/01/43/1129520143.db2.gz HZXUJHYGIPXKSH-IFXJQAMLSA-N 1 2 342.395 3.565 20 5 EHBDLO C[C@@H](c1ccncc1)[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000091987765 1129529544 /nfs/dbraw/zinc/52/95/44/1129529544.db2.gz AIIIXDPHSOMSLE-ZDUSSCGKSA-N 1 2 338.367 3.838 20 5 EHBDLO C[C@@H](c1ccncc1)[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000091987765 1129529547 /nfs/dbraw/zinc/52/95/47/1129529547.db2.gz AIIIXDPHSOMSLE-ZDUSSCGKSA-N 1 2 338.367 3.838 20 5 EHBDLO Cc1ccc(C[N@@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000093768865 1129602526 /nfs/dbraw/zinc/60/25/26/1129602526.db2.gz MHOXDXNVTDIBMA-GUYCJALGSA-N 1 2 332.425 3.927 20 5 EHBDLO Cc1ccc(C[N@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000093768865 1129602528 /nfs/dbraw/zinc/60/25/28/1129602528.db2.gz MHOXDXNVTDIBMA-GUYCJALGSA-N 1 2 332.425 3.927 20 5 EHBDLO Cc1cc(NCCc2cn3ccccc3[nH+]2)c2cccc([N+](=O)[O-])c2n1 ZINC000302021355 1129763893 /nfs/dbraw/zinc/76/38/93/1129763893.db2.gz OCBXWQSPUOBQMQ-UHFFFAOYSA-N 1 2 347.378 3.754 20 5 EHBDLO Cc1sc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1[N+](=O)[O-] ZINC000162814748 1129906664 /nfs/dbraw/zinc/90/66/64/1129906664.db2.gz DPXCOGBFKKJROG-UHFFFAOYSA-N 1 2 328.353 3.607 20 5 EHBDLO CCC[C@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC001173220063 1132003064 /nfs/dbraw/zinc/00/30/64/1132003064.db2.gz SLCFKEZWIFOFAI-BBRMVZONSA-N 1 2 336.432 3.626 20 5 EHBDLO CCC1CCC([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)(C(=O)OC)CC1 ZINC001173221808 1132004699 /nfs/dbraw/zinc/00/46/99/1132004699.db2.gz PXIXZASFKNTXOR-XVTSOASTSA-N 1 2 348.443 3.627 20 5 EHBDLO CC[N@H+](C)[C@H](C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000745101598 1132194190 /nfs/dbraw/zinc/19/41/90/1132194190.db2.gz RBWWHEWPBKTPEN-KSSFIOAISA-N 1 2 342.395 3.892 20 5 EHBDLO CC[N@@H+](C)[C@H](C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000745101598 1132194198 /nfs/dbraw/zinc/19/41/98/1132194198.db2.gz RBWWHEWPBKTPEN-KSSFIOAISA-N 1 2 342.395 3.892 20 5 EHBDLO COc1cc(F)cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC001179913621 1133306001 /nfs/dbraw/zinc/30/60/01/1133306001.db2.gz ALJMKIFWNSRWDL-UHFFFAOYSA-N 1 2 330.359 3.907 20 5 EHBDLO COc1cc(F)cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC001179913621 1133306006 /nfs/dbraw/zinc/30/60/06/1133306006.db2.gz ALJMKIFWNSRWDL-UHFFFAOYSA-N 1 2 330.359 3.907 20 5 EHBDLO Cc1cc(N2CC[NH+](C/C=C\c3ccccc3)CC2)c([N+](=O)[O-])s1 ZINC001185117387 1134038225 /nfs/dbraw/zinc/03/82/25/1134038225.db2.gz QCORQUUSFXCLSR-YVMONPNESA-N 1 2 343.452 3.800 20 5 EHBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)c1 ZINC000788524178 1134138023 /nfs/dbraw/zinc/13/80/23/1134138023.db2.gz PVXTTZZUVWUETA-UHFFFAOYSA-N 1 2 332.747 3.521 20 5 EHBDLO C[C@@H](Nc1ccc2c(c1)CCC[N@H+]2C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788729685 1134163712 /nfs/dbraw/zinc/16/37/12/1134163712.db2.gz SHCYJPUORWWGPF-GFCCVEGCSA-N 1 2 326.400 3.733 20 5 EHBDLO C[C@@H](Nc1ccc2c(c1)CCC[N@@H+]2C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788729685 1134163714 /nfs/dbraw/zinc/16/37/14/1134163714.db2.gz SHCYJPUORWWGPF-GFCCVEGCSA-N 1 2 326.400 3.733 20 5 EHBDLO C[N@H+](Cc1ccoc1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC001190476284 1134700938 /nfs/dbraw/zinc/70/09/38/1134700938.db2.gz QATSOXSHQCHLCI-UHFFFAOYSA-N 1 2 325.162 3.582 20 5 EHBDLO C[N@@H+](Cc1ccoc1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC001190476284 1134700943 /nfs/dbraw/zinc/70/09/43/1134700943.db2.gz QATSOXSHQCHLCI-UHFFFAOYSA-N 1 2 325.162 3.582 20 5 EHBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1c(F)cncc1F ZINC000809717066 1135877650 /nfs/dbraw/zinc/87/76/50/1135877650.db2.gz WIKVXJYWEZKHQY-QMMMGPOBSA-N 1 2 327.718 3.772 20 5 EHBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H]2COc2ccccc2)c(F)c1 ZINC001170651881 1136162520 /nfs/dbraw/zinc/16/25/20/1136162520.db2.gz ZYWIXKRKMZBTOL-ZDUSSCGKSA-N 1 2 348.349 3.916 20 5 EHBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@H]2COc2ccccc2)c(F)c1 ZINC001170651881 1136162521 /nfs/dbraw/zinc/16/25/21/1136162521.db2.gz ZYWIXKRKMZBTOL-ZDUSSCGKSA-N 1 2 348.349 3.916 20 5 EHBDLO Cc1nn(C[NH+]2CCC(c3cccc(Cl)c3)CC2)cc1[N+](=O)[O-] ZINC000794682780 1137226168 /nfs/dbraw/zinc/22/61/68/1137226168.db2.gz KIIXLXSJMRWODA-UHFFFAOYSA-N 1 2 334.807 3.590 20 5 EHBDLO C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000865613255 1137298810 /nfs/dbraw/zinc/29/88/10/1137298810.db2.gz VVJFQNDBYNCBLM-NHYWBVRUSA-N 1 2 336.342 3.816 20 5 EHBDLO C[C@H](N[C@H]1C[N@H+](C)Cc2ccccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872050803 1137567963 /nfs/dbraw/zinc/56/79/63/1137567963.db2.gz FTKQCZVZMJMLDX-LRDDRELGSA-N 1 2 329.375 3.571 20 5 EHBDLO C[C@H](N[C@H]1C[N@@H+](C)Cc2ccccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872050803 1137567964 /nfs/dbraw/zinc/56/79/64/1137567964.db2.gz FTKQCZVZMJMLDX-LRDDRELGSA-N 1 2 329.375 3.571 20 5 EHBDLO C[C@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872050803 1137567965 /nfs/dbraw/zinc/56/79/65/1137567965.db2.gz FTKQCZVZMJMLDX-LRDDRELGSA-N 1 2 329.375 3.571 20 5 EHBDLO Cc1nonc1C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000872134985 1137573612 /nfs/dbraw/zinc/57/36/12/1137573612.db2.gz AZSNWLKPSJFEEX-LLVKDONJSA-N 1 2 344.396 3.866 20 5 EHBDLO Cc1cc(C)c(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c(C)[nH+]1 ZINC000332602675 1137948633 /nfs/dbraw/zinc/94/86/33/1137948633.db2.gz NRMGAJCVCGHEGO-UHFFFAOYSA-N 1 2 340.383 3.505 20 5 EHBDLO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1cccnc1[N+](=O)[O-])CCC2 ZINC000886077338 1138038454 /nfs/dbraw/zinc/03/84/54/1138038454.db2.gz YJEFGCIFIYMFAF-ZDUSSCGKSA-N 1 2 332.429 3.518 20 5 EHBDLO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cccnc1[N+](=O)[O-])CCC2 ZINC000886077338 1138038456 /nfs/dbraw/zinc/03/84/56/1138038456.db2.gz YJEFGCIFIYMFAF-ZDUSSCGKSA-N 1 2 332.429 3.518 20 5 EHBDLO CCC[C@@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000183909187 1140064380 /nfs/dbraw/zinc/06/43/80/1140064380.db2.gz ZDTDEZZQWYJCIB-OAHLLOKOSA-N 1 2 342.399 3.575 20 5 EHBDLO CC[C@H](c1ccncc1)[N@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184288983 1140093254 /nfs/dbraw/zinc/09/32/54/1140093254.db2.gz BXSKTINBDPPDGL-OAHLLOKOSA-N 1 2 333.363 3.721 20 5 EHBDLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184288983 1140093258 /nfs/dbraw/zinc/09/32/58/1140093258.db2.gz BXSKTINBDPPDGL-OAHLLOKOSA-N 1 2 333.363 3.721 20 5 EHBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000267451711 1140793073 /nfs/dbraw/zinc/79/30/73/1140793073.db2.gz ROTYTYAIVJZMGG-JCQPUDPBSA-N 1 2 332.425 3.525 20 5 EHBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000267451711 1140793077 /nfs/dbraw/zinc/79/30/77/1140793077.db2.gz ROTYTYAIVJZMGG-JCQPUDPBSA-N 1 2 332.425 3.525 20 5 EHBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1c(F)cc(C)cc1Cl ZINC000459410014 1032076960 /nfs/dbraw/zinc/07/69/60/1032076960.db2.gz OKPMAHUMRNVFHP-UHFFFAOYSA-N 1 2 338.766 3.994 20 5 EHBDLO C[N@@H+](Cc1cc[nH]n1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000536675527 1032112458 /nfs/dbraw/zinc/11/24/58/1032112458.db2.gz UFEZRCSCPLWMCH-UHFFFAOYSA-N 1 2 328.397 3.678 20 5 EHBDLO C[N@H+](Cc1cc[nH]n1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000536675527 1032112464 /nfs/dbraw/zinc/11/24/64/1032112464.db2.gz UFEZRCSCPLWMCH-UHFFFAOYSA-N 1 2 328.397 3.678 20 5 EHBDLO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000459596231 1032316674 /nfs/dbraw/zinc/31/66/74/1032316674.db2.gz OBXKTCMZWLHWOL-UHFFFAOYSA-N 1 2 336.823 3.640 20 5 EHBDLO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000459596231 1032316676 /nfs/dbraw/zinc/31/66/76/1032316676.db2.gz OBXKTCMZWLHWOL-UHFFFAOYSA-N 1 2 336.823 3.640 20 5 EHBDLO O=[N+]([O-])c1ccc(CNc2cc[nH+]c(OCC(F)(F)F)c2)cc1 ZINC000340555345 1032404753 /nfs/dbraw/zinc/40/47/53/1032404753.db2.gz FHHYDTDIBJLAEV-UHFFFAOYSA-N 1 2 327.262 3.543 20 5 EHBDLO COC(=O)c1oc([C@@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1C ZINC000537178860 1032550090 /nfs/dbraw/zinc/55/00/90/1032550090.db2.gz DTKULSRBNHHBFE-NWDGAFQWSA-N 1 2 332.356 3.695 20 5 EHBDLO Cc1cn2cc(NC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)ccc2[nH+]1 ZINC000610413866 1018977377 /nfs/dbraw/zinc/97/73/77/1018977377.db2.gz LPTXWDFZEUVUPM-UHFFFAOYSA-N 1 2 345.746 3.848 20 5 EHBDLO C[C@@]1(c2ccccc2)C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000536673622 1019243155 /nfs/dbraw/zinc/24/31/55/1019243155.db2.gz RNPNAYHKQYJOTI-JCOOBLOPSA-N 1 2 338.407 3.856 20 5 EHBDLO C[C@@]1(c2ccccc2)C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000536673622 1019243164 /nfs/dbraw/zinc/24/31/64/1019243164.db2.gz RNPNAYHKQYJOTI-JCOOBLOPSA-N 1 2 338.407 3.856 20 5 EHBDLO C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602441376 1032888911 /nfs/dbraw/zinc/88/89/11/1032888911.db2.gz DNVVDGUFQLSWJL-SECBINFHSA-N 1 2 343.214 3.828 20 5 EHBDLO C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602441376 1032888920 /nfs/dbraw/zinc/88/89/20/1032888920.db2.gz DNVVDGUFQLSWJL-SECBINFHSA-N 1 2 343.214 3.828 20 5 EHBDLO CCOc1cc(C)ccc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602569007 1032977468 /nfs/dbraw/zinc/97/74/68/1032977468.db2.gz QKSWSLYCXFEZMD-UHFFFAOYSA-N 1 2 341.367 3.733 20 5 EHBDLO Cn1ncc2c1CC(C)(C)C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC000828019541 1021935863 /nfs/dbraw/zinc/93/58/63/1021935863.db2.gz VUWJALUZCNDZOU-UHFFFAOYSA-N 1 2 348.834 3.566 20 5 EHBDLO Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC000828019541 1021935871 /nfs/dbraw/zinc/93/58/71/1021935871.db2.gz VUWJALUZCNDZOU-UHFFFAOYSA-N 1 2 348.834 3.566 20 5 EHBDLO C[N@H+](Cc1ccncc1)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602608113 1033023657 /nfs/dbraw/zinc/02/36/57/1033023657.db2.gz OWKNCOXXTDEJQP-UHFFFAOYSA-N 1 2 325.290 3.641 20 5 EHBDLO C[N@@H+](Cc1ccncc1)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602608113 1033023671 /nfs/dbraw/zinc/02/36/71/1033023671.db2.gz OWKNCOXXTDEJQP-UHFFFAOYSA-N 1 2 325.290 3.641 20 5 EHBDLO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H](C)S1 ZINC000519521045 1022228556 /nfs/dbraw/zinc/22/85/56/1022228556.db2.gz JMWDYEAYRAJGPX-AOOOYVTPSA-N 1 2 334.363 3.939 20 5 EHBDLO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H](C)S1 ZINC000519521045 1022228569 /nfs/dbraw/zinc/22/85/69/1022228569.db2.gz JMWDYEAYRAJGPX-AOOOYVTPSA-N 1 2 334.363 3.939 20 5 EHBDLO Cc1ccc2c(c1)nc(C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)n2C ZINC000187587313 1022368606 /nfs/dbraw/zinc/36/86/06/1022368606.db2.gz CPUZPABRPLPJDP-UHFFFAOYSA-N 1 2 344.802 3.733 20 5 EHBDLO COCc1cc[nH+]c(NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000602705589 1033092637 /nfs/dbraw/zinc/09/26/37/1033092637.db2.gz LZPFZXIUTXKDCM-UHFFFAOYSA-N 1 2 341.289 3.767 20 5 EHBDLO CC[N@H+](Cc1ccc(OC)cc1OC)Cc1ccccc1[N+](=O)[O-] ZINC000507131378 1023144014 /nfs/dbraw/zinc/14/40/14/1023144014.db2.gz AELWVEATCRSMKQ-UHFFFAOYSA-N 1 2 330.384 3.634 20 5 EHBDLO CC[N@@H+](Cc1ccc(OC)cc1OC)Cc1ccccc1[N+](=O)[O-] ZINC000507131378 1023144022 /nfs/dbraw/zinc/14/40/22/1023144022.db2.gz AELWVEATCRSMKQ-UHFFFAOYSA-N 1 2 330.384 3.634 20 5 EHBDLO C[N@H+](CCOc1ccc(Cl)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505559392 1024482583 /nfs/dbraw/zinc/48/25/83/1024482583.db2.gz KHQZPYQTVVSGLQ-UHFFFAOYSA-N 1 2 338.766 3.898 20 5 EHBDLO C[N@@H+](CCOc1ccc(Cl)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505559392 1024482591 /nfs/dbraw/zinc/48/25/91/1024482591.db2.gz KHQZPYQTVVSGLQ-UHFFFAOYSA-N 1 2 338.766 3.898 20 5 EHBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@@H](c3ccccc3Cl)C2)cc1 ZINC000507852628 1024731682 /nfs/dbraw/zinc/73/16/82/1024731682.db2.gz XLBNCGMZPAKKEF-GOSISDBHSA-N 1 2 346.814 3.864 20 5 EHBDLO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@@H](c3ccccc3Cl)C2)cc1 ZINC000507852628 1024731685 /nfs/dbraw/zinc/73/16/85/1024731685.db2.gz XLBNCGMZPAKKEF-GOSISDBHSA-N 1 2 346.814 3.864 20 5 EHBDLO CCc1ccc([C@@H]([NH2+]Cc2c[nH]nc2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346624047 1024935633 /nfs/dbraw/zinc/93/56/33/1024935633.db2.gz CKTZUWHAEXBJSN-SFHVURJKSA-N 1 2 340.383 3.661 20 5 EHBDLO O=C(Nc1ccc(Cl)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000014429260 1025329932 /nfs/dbraw/zinc/32/99/32/1025329932.db2.gz LPQWKJNIEMUMPW-UHFFFAOYSA-N 1 2 342.742 3.686 20 5 EHBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@]3(CCSC3)C2)c(F)c1 ZINC000451959306 1026395203 /nfs/dbraw/zinc/39/52/03/1026395203.db2.gz ASKWNGZOUHHWCJ-OAHLLOKOSA-N 1 2 328.384 3.592 20 5 EHBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@]3(CCSC3)C2)c(F)c1 ZINC000451959306 1026395213 /nfs/dbraw/zinc/39/52/13/1026395213.db2.gz ASKWNGZOUHHWCJ-OAHLLOKOSA-N 1 2 328.384 3.592 20 5 EHBDLO Cc1cn2c([nH+]1)[C@H](CNc1nccc3ccc([N+](=O)[O-])cc31)CCC2 ZINC000413208449 1027284723 /nfs/dbraw/zinc/28/47/23/1027284723.db2.gz RWCIEGOMBKFBNA-AWEZNQCLSA-N 1 2 337.383 3.637 20 5 EHBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2cc[nH]n2)ccc1Oc1ccc(F)cc1 ZINC000525182529 1029731893 /nfs/dbraw/zinc/73/18/93/1029731893.db2.gz NNOKWOXQMVKNDH-UHFFFAOYSA-N 1 2 342.330 3.539 20 5 EHBDLO O=[N+]([O-])c1ccccc1-c1ccc(CNc2cc[nH+]cc2F)s1 ZINC000483817042 1031352467 /nfs/dbraw/zinc/35/24/67/1031352467.db2.gz FEUMVHZJGWAIRQ-UHFFFAOYSA-N 1 2 329.356 3.891 20 5 EHBDLO CCc1ccc([C@@H](COC)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)o1 ZINC000595029817 1033653861 /nfs/dbraw/zinc/65/38/61/1033653861.db2.gz ZEBMIGZKZBNKBY-MLGOLLRUSA-N 1 2 348.399 3.797 20 5 EHBDLO O=[N+]([O-])c1c(NC2CCN(c3cccc[nH+]3)CC2)ccc2cnccc21 ZINC000599020654 1033668213 /nfs/dbraw/zinc/66/82/13/1033668213.db2.gz WKBBFFLQMGSERR-UHFFFAOYSA-N 1 2 349.394 3.619 20 5 EHBDLO Cc1noc(C[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000595410429 1033789225 /nfs/dbraw/zinc/78/92/25/1033789225.db2.gz LUSUBXKYGFKAEU-QMMMGPOBSA-N 1 2 345.277 3.641 20 5 EHBDLO CC(C)[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCS1 ZINC000537621661 1034234439 /nfs/dbraw/zinc/23/44/39/1034234439.db2.gz BMLXMCVJOXALBV-AWEZNQCLSA-N 1 2 346.399 3.770 20 5 EHBDLO CC(C)[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCS1 ZINC000537621661 1034234451 /nfs/dbraw/zinc/23/44/51/1034234451.db2.gz BMLXMCVJOXALBV-AWEZNQCLSA-N 1 2 346.399 3.770 20 5 EHBDLO Cc1c(C[NH2+][C@@H](c2nc(C3CC3)no2)C(C)C)cccc1[N+](=O)[O-] ZINC000179828483 1034703596 /nfs/dbraw/zinc/70/35/96/1034703596.db2.gz BZSKCGPKBVOGSY-OAHLLOKOSA-N 1 2 330.388 3.651 20 5 EHBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000539594483 1036964441 /nfs/dbraw/zinc/96/44/41/1036964441.db2.gz UCLPICCOHSZJNU-FUKWUPMWSA-N 1 2 338.407 3.552 20 5 EHBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000539594483 1036964453 /nfs/dbraw/zinc/96/44/53/1036964453.db2.gz UCLPICCOHSZJNU-FUKWUPMWSA-N 1 2 338.407 3.552 20 5 EHBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1Cl ZINC000761511234 1037082414 /nfs/dbraw/zinc/08/24/14/1037082414.db2.gz NHBLZOFEKXUTTR-UHFFFAOYSA-N 1 2 331.803 3.570 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CO)c1c(F)cccc1F ZINC000540184151 1037665550 /nfs/dbraw/zinc/66/55/50/1037665550.db2.gz YAPYKFMKDRTDHZ-ZBEGNZNMSA-N 1 2 336.338 3.566 20 5 EHBDLO C[C@H](C[NH2+][C@H](c1ncn[nH]1)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000897460710 1037846589 /nfs/dbraw/zinc/84/65/89/1037846589.db2.gz VCEZSLGTLBEKLY-DYVFJYSZSA-N 1 2 343.431 3.728 20 5 EHBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2nccn2CC(C)C)cc1[N+](=O)[O-] ZINC000153974062 1039189876 /nfs/dbraw/zinc/18/98/76/1039189876.db2.gz MHJQLBYYPCWSCP-CQSZACIVSA-N 1 2 346.431 3.697 20 5 EHBDLO CCOc1ccc([C@H](C)[NH2+]Cc2nccn2CC(C)C)cc1[N+](=O)[O-] ZINC000153974171 1039342764 /nfs/dbraw/zinc/34/27/64/1039342764.db2.gz MHJQLBYYPCWSCP-AWEZNQCLSA-N 1 2 346.431 3.697 20 5 EHBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000076182546 1125601433 /nfs/dbraw/zinc/60/14/33/1125601433.db2.gz LLCZIFJSKKMTLO-AOOOYVTPSA-N 1 2 342.239 3.767 20 5 EHBDLO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000076182546 1125601437 /nfs/dbraw/zinc/60/14/37/1125601437.db2.gz LLCZIFJSKKMTLO-AOOOYVTPSA-N 1 2 342.239 3.767 20 5 EHBDLO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083225690 1127238568 /nfs/dbraw/zinc/23/85/68/1127238568.db2.gz BBZYILGLBODQSF-MRXNPFEDSA-N 1 2 340.383 3.802 20 5 EHBDLO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083225690 1127238569 /nfs/dbraw/zinc/23/85/69/1127238569.db2.gz BBZYILGLBODQSF-MRXNPFEDSA-N 1 2 340.383 3.802 20 5 EHBDLO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000347644231 1128510310 /nfs/dbraw/zinc/51/03/10/1128510310.db2.gz FHKONTFDKRZZEV-OAHLLOKOSA-N 1 2 338.766 3.601 20 5 EHBDLO C[C@@H](c1ccccn1)[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000091702456 1128820667 /nfs/dbraw/zinc/82/06/67/1128820667.db2.gz UCBVIIROXFCOIZ-ZDUSSCGKSA-N 1 2 338.367 3.838 20 5 EHBDLO C[C@@H](c1ccccn1)[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000091702456 1128820669 /nfs/dbraw/zinc/82/06/69/1128820669.db2.gz UCBVIIROXFCOIZ-ZDUSSCGKSA-N 1 2 338.367 3.838 20 5 EHBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3sccc3Cl)CC2)c1 ZINC000495163952 1120973625 /nfs/dbraw/zinc/97/36/25/1120973625.db2.gz LSUFDFHCZXRKOY-UHFFFAOYSA-N 1 2 337.832 3.632 20 5 EHBDLO CCC(CC)c1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000762034191 1121063108 /nfs/dbraw/zinc/06/31/08/1121063108.db2.gz NWBZOLPLJWYCSI-UHFFFAOYSA-N 1 2 327.344 3.734 20 5 EHBDLO CC(C)(C)c1ccc(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000495444864 1121210740 /nfs/dbraw/zinc/21/07/40/1121210740.db2.gz NHRFABRYMOVJAA-UHFFFAOYSA-N 1 2 325.412 3.846 20 5 EHBDLO CC(C)(C)c1ccc(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000495444864 1121210747 /nfs/dbraw/zinc/21/07/47/1121210747.db2.gz NHRFABRYMOVJAA-UHFFFAOYSA-N 1 2 325.412 3.846 20 5 EHBDLO O=[N+]([O-])c1ccccc1NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000301195556 1122445750 /nfs/dbraw/zinc/44/57/50/1122445750.db2.gz NVOLHAUBFASVDZ-UHFFFAOYSA-N 1 2 326.400 3.982 20 5 EHBDLO O=C(Nc1ccc2cc[nH]c2c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000194822306 1122972914 /nfs/dbraw/zinc/97/29/14/1122972914.db2.gz LMOUDYGNGCBWGT-UHFFFAOYSA-N 1 2 347.334 3.514 20 5 EHBDLO O=[N+]([O-])c1ccc2nc(NCCCCNc3cccc[nH+]3)ccc2c1 ZINC000301265356 1125360946 /nfs/dbraw/zinc/36/09/46/1125360946.db2.gz PKJZNJYBDLIOGH-UHFFFAOYSA-N 1 2 337.383 3.842 20 5 EHBDLO Cc1cc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000543388803 1129451547 /nfs/dbraw/zinc/45/15/47/1129451547.db2.gz IWBQSKUIIYUPGT-INIZCTEOSA-N 1 2 347.802 3.798 20 5 EHBDLO Cc1cc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302027977 1129763937 /nfs/dbraw/zinc/76/39/37/1129763937.db2.gz RBQWVFZYVBYHEY-CQSZACIVSA-N 1 2 349.394 3.537 20 5 EHBDLO CCC1CCC([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)(C(=O)OC)CC1 ZINC001173221806 1132004536 /nfs/dbraw/zinc/00/45/36/1132004536.db2.gz PXIXZASFKNTXOR-TZGCNFNXSA-N 1 2 348.443 3.627 20 5 EHBDLO Cc1[nH]c([C@H]2CCCN2Cc2ccc(Cl)c([N+](=O)[O-])c2)[nH+]c1C ZINC001176078506 1132829906 /nfs/dbraw/zinc/82/99/06/1132829906.db2.gz RGCZAMBIDMZMLW-CQSZACIVSA-N 1 2 334.807 3.925 20 5 EHBDLO C[C@@H]1C[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C[C@H](C)S1 ZINC000769140157 1133231568 /nfs/dbraw/zinc/23/15/68/1133231568.db2.gz CTJIMUDJFWRKRI-AOOOYVTPSA-N 1 2 345.262 3.683 20 5 EHBDLO C[C@@H]1C[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C[C@H](C)S1 ZINC000769140157 1133231574 /nfs/dbraw/zinc/23/15/74/1133231574.db2.gz CTJIMUDJFWRKRI-AOOOYVTPSA-N 1 2 345.262 3.683 20 5 EHBDLO Cn1c[nH+]c2cc(Nc3c(Br)cccc3[N+](=O)[O-])ccc21 ZINC001185534238 1134108387 /nfs/dbraw/zinc/10/83/87/1134108387.db2.gz BBUGHPOMDRIJAI-UHFFFAOYSA-N 1 2 347.172 3.988 20 5 EHBDLO CC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1OC ZINC000775075694 1134282357 /nfs/dbraw/zinc/28/23/57/1134282357.db2.gz BIKSNGZPYPTTFJ-AWEZNQCLSA-N 1 2 341.367 3.986 20 5 EHBDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792876454 1134810013 /nfs/dbraw/zinc/81/00/13/1134810013.db2.gz NEHCLWRWHPRATO-KOLCDFICSA-N 1 2 347.293 3.666 20 5 EHBDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792876454 1134810021 /nfs/dbraw/zinc/81/00/21/1134810021.db2.gz NEHCLWRWHPRATO-KOLCDFICSA-N 1 2 347.293 3.666 20 5 EHBDLO CCC1(CO)CC[NH+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000809969117 1135904934 /nfs/dbraw/zinc/90/49/34/1135904934.db2.gz MWHDVJWANPHFIN-UHFFFAOYSA-N 1 2 347.242 3.886 20 5 EHBDLO COc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000810098436 1135921024 /nfs/dbraw/zinc/92/10/24/1135921024.db2.gz VGBAIDHDHSOUHR-UHFFFAOYSA-N 1 2 342.370 3.790 20 5 EHBDLO COc1ccc2c(c1)C1(CC1)C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000810098436 1135921026 /nfs/dbraw/zinc/92/10/26/1135921026.db2.gz VGBAIDHDHSOUHR-UHFFFAOYSA-N 1 2 342.370 3.790 20 5 EHBDLO O=C(Nc1cscc1Cl)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001133289904 1136207535 /nfs/dbraw/zinc/20/75/35/1136207535.db2.gz HPJQHQPGQBJHQB-UHFFFAOYSA-N 1 2 348.771 3.748 20 5 EHBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2cccnc2N2CCCC2)c1 ZINC000850353036 1136239456 /nfs/dbraw/zinc/23/94/56/1136239456.db2.gz QJXVCOOQZWUBCX-UHFFFAOYSA-N 1 2 346.818 3.533 20 5 EHBDLO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCc3cn[nH]c32)cc(C(F)(F)F)c1 ZINC000857864301 1136915090 /nfs/dbraw/zinc/91/50/90/1136915090.db2.gz GWGPKULVBOMYJC-CYBMUJFWSA-N 1 2 340.305 3.504 20 5 EHBDLO C[C@@H]1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000820677017 1137000879 /nfs/dbraw/zinc/00/08/79/1137000879.db2.gz SEQXAJCXAMLNFF-IAQYHMDHSA-N 1 2 336.342 3.816 20 5 EHBDLO C[C@@H]([NH2+]Cc1nc(C(F)(F)F)cs1)c1cccc([N+](=O)[O-])c1 ZINC000173436392 1137113969 /nfs/dbraw/zinc/11/39/69/1137113969.db2.gz DGMFFVKZNOJOCN-MRVPVSSYSA-N 1 2 331.319 3.921 20 5 EHBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)OCCn1cc[nH+]c1 ZINC000777232604 1137130331 /nfs/dbraw/zinc/13/03/31/1137130331.db2.gz VAWUCHNJSFLYMO-UHFFFAOYSA-N 1 2 349.412 3.541 20 5 EHBDLO CCCCn1cc(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])c(C)n1 ZINC000872053240 1137568299 /nfs/dbraw/zinc/56/82/99/1137568299.db2.gz IBQPGBDEBOBUCN-CYBMUJFWSA-N 1 2 334.395 3.890 20 5 EHBDLO Cc1c(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000872065553 1137569215 /nfs/dbraw/zinc/56/92/15/1137569215.db2.gz DKCKMBJMAYLMHG-NSHDSACASA-N 1 2 333.319 3.801 20 5 EHBDLO CC(C)(O)C1CC[NH+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000877752559 1137687993 /nfs/dbraw/zinc/68/79/93/1137687993.db2.gz TZGRLGLOMGLMHV-UHFFFAOYSA-N 1 2 347.242 3.885 20 5 EHBDLO C[C@H]([NH2+]Cc1noc2c1CC(C)(C)CC2)c1ccc([N+](=O)[O-])cc1 ZINC000878660651 1137723964 /nfs/dbraw/zinc/72/39/64/1137723964.db2.gz WLBFGDOAEHRNBX-LBPRGKRZSA-N 1 2 329.400 3.949 20 5 EHBDLO CC[C@@](C)([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1nc(C)cs1 ZINC000173942021 1139388572 /nfs/dbraw/zinc/38/85/72/1139388572.db2.gz LVLMKMBYORDUON-MRXNPFEDSA-N 1 2 335.429 3.783 20 5 EHBDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000175410689 1139488963 /nfs/dbraw/zinc/48/89/63/1139488963.db2.gz HZKPQBBQDVNODM-ZLOXQWCVSA-N 1 2 332.425 3.525 20 5 EHBDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000175410689 1139488965 /nfs/dbraw/zinc/48/89/65/1139488965.db2.gz HZKPQBBQDVNODM-ZLOXQWCVSA-N 1 2 332.425 3.525 20 5 EHBDLO COc1ccc(C[N@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])cc1O ZINC000177227243 1139605896 /nfs/dbraw/zinc/60/58/96/1139605896.db2.gz OGUDMTAQLGBMLI-UHFFFAOYSA-N 1 2 336.775 3.594 20 5 EHBDLO COc1ccc(C[N@@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])cc1O ZINC000177227243 1139605897 /nfs/dbraw/zinc/60/58/97/1139605897.db2.gz OGUDMTAQLGBMLI-UHFFFAOYSA-N 1 2 336.775 3.594 20 5 EHBDLO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](C)c1cccc(O)c1 ZINC000193757557 1140586672 /nfs/dbraw/zinc/58/66/72/1140586672.db2.gz FOPPDCRGVRJWDC-LBPRGKRZSA-N 1 2 345.355 3.792 20 5 EHBDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](C)c1cccc(O)c1 ZINC000193757557 1140586677 /nfs/dbraw/zinc/58/66/77/1140586677.db2.gz FOPPDCRGVRJWDC-LBPRGKRZSA-N 1 2 345.355 3.792 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000430201944 1014887073 /nfs/dbraw/zinc/88/70/73/1014887073.db2.gz BTJQNJKVXDIRMB-QGZVFWFLSA-N 1 2 344.436 3.894 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000430201944 1014887084 /nfs/dbraw/zinc/88/70/84/1014887084.db2.gz BTJQNJKVXDIRMB-QGZVFWFLSA-N 1 2 344.436 3.894 20 5 EHBDLO O=[N+]([O-])c1cccc(Nc2cc(Br)c3[nH+]ccn3c2)c1 ZINC001204440424 1016244941 /nfs/dbraw/zinc/24/49/41/1016244941.db2.gz YXQHISUVRCGZAP-UHFFFAOYSA-N 1 2 333.145 3.749 20 5 EHBDLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000110192649 1017455519 /nfs/dbraw/zinc/45/55/19/1017455519.db2.gz GOCWIDLIWJYVFK-UHFFFAOYSA-N 1 2 342.742 3.686 20 5 EHBDLO Cc1noc(C)c1C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602519779 1032934028 /nfs/dbraw/zinc/93/40/28/1032934028.db2.gz ADLQSGNCRUZLLS-UHFFFAOYSA-N 1 2 329.278 3.508 20 5 EHBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2nc3ccccc3n2C2CC2)cs1 ZINC000184783610 1024265292 /nfs/dbraw/zinc/26/52/92/1024265292.db2.gz SRJMEASLJZTDBJ-UHFFFAOYSA-N 1 2 328.397 3.631 20 5 EHBDLO C[N@H+](CCOc1cccc(Cl)c1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505581066 1024531390 /nfs/dbraw/zinc/53/13/90/1024531390.db2.gz DXEIQEHQSGOOHA-UHFFFAOYSA-N 1 2 338.766 3.898 20 5 EHBDLO C[N@@H+](CCOc1cccc(Cl)c1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505581066 1024531394 /nfs/dbraw/zinc/53/13/94/1024531394.db2.gz DXEIQEHQSGOOHA-UHFFFAOYSA-N 1 2 338.766 3.898 20 5 EHBDLO CCSCc1ccc[nH+]c1NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000895688793 1024721197 /nfs/dbraw/zinc/72/11/97/1024721197.db2.gz LMSDTAAZXMHFNA-UHFFFAOYSA-N 1 2 344.396 3.996 20 5 EHBDLO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444648095 1028110615 /nfs/dbraw/zinc/11/06/15/1028110615.db2.gz MQSQOGUXPIQMGO-KRWDZBQOSA-N 1 2 339.399 3.537 20 5 EHBDLO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444648095 1028110629 /nfs/dbraw/zinc/11/06/29/1028110629.db2.gz MQSQOGUXPIQMGO-KRWDZBQOSA-N 1 2 339.399 3.537 20 5 EHBDLO Cc1cccc(CCCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)[nH+]1 ZINC000343229069 1029831487 /nfs/dbraw/zinc/83/14/87/1029831487.db2.gz YSGVIFADGVQHLN-UHFFFAOYSA-N 1 2 337.326 3.944 20 5 EHBDLO CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)n3ccnc32)cc1[N+](=O)[O-] ZINC000453378887 1030201963 /nfs/dbraw/zinc/20/19/63/1030201963.db2.gz ZUMZICDUNSZMMX-MBNYWOFBSA-N 1 2 330.388 3.547 20 5 EHBDLO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000453610996 1030399899 /nfs/dbraw/zinc/39/98/99/1030399899.db2.gz KFJCKLGGZJPTEA-UHFFFAOYSA-N 1 2 336.823 3.640 20 5 EHBDLO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000453610996 1030399913 /nfs/dbraw/zinc/39/99/13/1030399913.db2.gz KFJCKLGGZJPTEA-UHFFFAOYSA-N 1 2 336.823 3.640 20 5 EHBDLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000340450361 1030491286 /nfs/dbraw/zinc/49/12/86/1030491286.db2.gz XSGKQTRSSCXVEO-WDEREUQCSA-N 1 2 349.337 3.551 20 5 EHBDLO CCc1ccc([C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])CCO2)cc1 ZINC000483439835 1031171931 /nfs/dbraw/zinc/17/19/31/1031171931.db2.gz FKZULLZDZPSSEW-IBGZPJMESA-N 1 2 326.396 3.731 20 5 EHBDLO CCc1ccc([C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])CCO2)cc1 ZINC000483439835 1031171935 /nfs/dbraw/zinc/17/19/35/1031171935.db2.gz FKZULLZDZPSSEW-IBGZPJMESA-N 1 2 326.396 3.731 20 5 EHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803230 1031711911 /nfs/dbraw/zinc/71/19/11/1031711911.db2.gz SGOBQBSUAYNWLE-CQSZACIVSA-N 1 2 345.424 3.740 20 5 EHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803230 1031711918 /nfs/dbraw/zinc/71/19/18/1031711918.db2.gz SGOBQBSUAYNWLE-CQSZACIVSA-N 1 2 345.424 3.740 20 5 EHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](Cc1ccccn1)C(C)C ZINC000536652246 1032037503 /nfs/dbraw/zinc/03/75/03/1032037503.db2.gz GSQZHKHGOGMZCT-UHFFFAOYSA-N 1 2 329.400 3.799 20 5 EHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](Cc1ccccn1)C(C)C ZINC000536652246 1032037513 /nfs/dbraw/zinc/03/75/13/1032037513.db2.gz GSQZHKHGOGMZCT-UHFFFAOYSA-N 1 2 329.400 3.799 20 5 EHBDLO CO[C@H](C)c1nc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cs1 ZINC000278704912 1032056016 /nfs/dbraw/zinc/05/60/16/1032056016.db2.gz LEARDFXIBPOVPC-BZNIZROVSA-N 1 2 347.440 3.926 20 5 EHBDLO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1c(F)c(F)cc(F)c1F ZINC000594500444 1033401166 /nfs/dbraw/zinc/40/11/66/1033401166.db2.gz UIIQOAWBAQVFRR-CYBMUJFWSA-N 1 2 340.276 3.928 20 5 EHBDLO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1COc2cc(F)cc(F)c21 ZINC000594502329 1033404573 /nfs/dbraw/zinc/40/45/73/1033404573.db2.gz YNKDUBYPJAMXDM-KGLIPLIRSA-N 1 2 332.306 3.584 20 5 EHBDLO Cc1c[nH+]c(CCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)c(C)c1 ZINC000594597469 1033444540 /nfs/dbraw/zinc/44/45/40/1033444540.db2.gz VGSXFLRVIPTDGV-UHFFFAOYSA-N 1 2 340.305 3.675 20 5 EHBDLO CC1(c2noc(-c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)n2)CCCC1 ZINC000599198765 1033802806 /nfs/dbraw/zinc/80/28/06/1033802806.db2.gz REYDOWLCPXLLEZ-UHFFFAOYSA-N 1 2 339.355 3.662 20 5 EHBDLO Cc1nn(-c2ccccc2)cc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000179315074 1034109268 /nfs/dbraw/zinc/10/92/68/1034109268.db2.gz RNCIPVSGYZFDPM-UHFFFAOYSA-N 1 2 336.395 3.721 20 5 EHBDLO Cc1nn(-c2ccccc2)cc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000179315074 1034109276 /nfs/dbraw/zinc/10/92/76/1034109276.db2.gz RNCIPVSGYZFDPM-UHFFFAOYSA-N 1 2 336.395 3.721 20 5 EHBDLO COC(=O)C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(C)C ZINC000508826031 1034252553 /nfs/dbraw/zinc/25/25/53/1034252553.db2.gz GRKJDDOJDFUABU-UHFFFAOYSA-N 1 2 348.424 3.707 20 5 EHBDLO COC(=O)C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(C)C ZINC000508826031 1034252569 /nfs/dbraw/zinc/25/25/69/1034252569.db2.gz GRKJDDOJDFUABU-UHFFFAOYSA-N 1 2 348.424 3.707 20 5 EHBDLO Cn1ncc(C2CCC2)c1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000596980063 1034480318 /nfs/dbraw/zinc/48/03/18/1034480318.db2.gz UQXZPGFDJMDBGU-UHFFFAOYSA-N 1 2 340.427 3.760 20 5 EHBDLO Cn1ncc(C2CCC2)c1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000596980063 1034480331 /nfs/dbraw/zinc/48/03/31/1034480331.db2.gz UQXZPGFDJMDBGU-UHFFFAOYSA-N 1 2 340.427 3.760 20 5 EHBDLO CC(=O)Oc1ccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000177776141 1035383655 /nfs/dbraw/zinc/38/36/55/1035383655.db2.gz RQAUIELGHNNOID-UHFFFAOYSA-N 1 2 348.786 3.806 20 5 EHBDLO CC(=O)Oc1ccc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000177776141 1035383657 /nfs/dbraw/zinc/38/36/57/1035383657.db2.gz RQAUIELGHNNOID-UHFFFAOYSA-N 1 2 348.786 3.806 20 5 EHBDLO O=[N+]([O-])c1cc(NCCCNc2cccc[nH+]2)ccc1C(F)(F)F ZINC000589108068 1036255500 /nfs/dbraw/zinc/25/55/00/1036255500.db2.gz KVHDIKNCIIHUHW-UHFFFAOYSA-N 1 2 340.305 3.923 20 5 EHBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000541700136 1036576214 /nfs/dbraw/zinc/57/62/14/1036576214.db2.gz HXHWYXCCUWNHML-SJLPKXTDSA-N 1 2 340.423 3.989 20 5 EHBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000541700136 1036576226 /nfs/dbraw/zinc/57/62/26/1036576226.db2.gz HXHWYXCCUWNHML-SJLPKXTDSA-N 1 2 340.423 3.989 20 5 EHBDLO CCOc1cc(NCCc2cn3c(cccc3C)[nH+]2)ccc1[N+](=O)[O-] ZINC000592007057 1037771396 /nfs/dbraw/zinc/77/13/96/1037771396.db2.gz YTJJIOJTXGDTAW-UHFFFAOYSA-N 1 2 340.383 3.604 20 5 EHBDLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000015441329 1039536524 /nfs/dbraw/zinc/53/65/24/1039536524.db2.gz YCZUBGZDERFZCW-HNNXBMFYSA-N 1 2 341.411 3.843 20 5 EHBDLO Cc1cccc(C)c1NC(=O)C[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000015441329 1039536539 /nfs/dbraw/zinc/53/65/39/1039536539.db2.gz YCZUBGZDERFZCW-HNNXBMFYSA-N 1 2 341.411 3.843 20 5 EHBDLO COc1cc(C[N@H+](Cc2ccccc2F)C2CC2)ccc1[N+](=O)[O-] ZINC000485766112 1039539832 /nfs/dbraw/zinc/53/98/32/1039539832.db2.gz MRTHFWVCHCSCNY-UHFFFAOYSA-N 1 2 330.359 3.907 20 5 EHBDLO COc1cc(C[N@@H+](Cc2ccccc2F)C2CC2)ccc1[N+](=O)[O-] ZINC000485766112 1039539842 /nfs/dbraw/zinc/53/98/42/1039539842.db2.gz MRTHFWVCHCSCNY-UHFFFAOYSA-N 1 2 330.359 3.907 20 5 EHBDLO Cc1cc([C@@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C2CC2)ccc1F ZINC000555421961 1040558689 /nfs/dbraw/zinc/55/86/89/1040558689.db2.gz YQZVWCPMYLATLU-SFHVURJKSA-N 1 2 330.359 3.989 20 5 EHBDLO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)[nH]1 ZINC000278835056 1041072677 /nfs/dbraw/zinc/07/26/77/1041072677.db2.gz UKEPNYZAFWXCBD-MKBNYLNASA-N 1 2 343.431 3.955 20 5 EHBDLO COc1c(C)cnc(C[N@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1C ZINC000067226842 1042774655 /nfs/dbraw/zinc/77/46/55/1042774655.db2.gz DWRMDDDGBOMJGN-AWEZNQCLSA-N 1 2 329.400 3.808 20 5 EHBDLO COc1c(C)cnc(C[N@@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1C ZINC000067226842 1042774659 /nfs/dbraw/zinc/77/46/59/1042774659.db2.gz DWRMDDDGBOMJGN-AWEZNQCLSA-N 1 2 329.400 3.808 20 5 EHBDLO CCc1nc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cs1 ZINC000278875913 1042804095 /nfs/dbraw/zinc/80/40/95/1042804095.db2.gz YYXUXYASOSWBPY-UHFFFAOYSA-N 1 2 345.346 3.922 20 5 EHBDLO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cn(-c2ccccc2)nn1 ZINC000150885767 1044102431 /nfs/dbraw/zinc/10/24/31/1044102431.db2.gz FURHQFXOXARKOD-ZIAGYGMSSA-N 1 2 337.383 3.587 20 5 EHBDLO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cscn1 ZINC000279566575 1044238735 /nfs/dbraw/zinc/23/87/35/1044238735.db2.gz SJFZJWTYRQNSDV-QMMMGPOBSA-N 1 2 331.319 3.921 20 5 EHBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2cc(Br)ccc2F)cs1 ZINC000041069349 1130319410 /nfs/dbraw/zinc/31/94/10/1130319410.db2.gz RIUUCJLCJBDHKE-UHFFFAOYSA-N 1 2 345.193 3.848 20 5 EHBDLO Cc1noc(C[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)c1[N+](=O)[O-] ZINC001168658300 1128714963 /nfs/dbraw/zinc/71/49/63/1128714963.db2.gz VWOXKKBWJATWSY-GFCCVEGCSA-N 1 2 338.367 3.804 20 5 EHBDLO CN(C)c1cc(COc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc[nH+]1 ZINC000762474529 1121317057 /nfs/dbraw/zinc/31/70/57/1121317057.db2.gz LHAXXWJCMRWEMU-UHFFFAOYSA-N 1 2 341.289 3.654 20 5 EHBDLO COc1ccc2c(c1)OCC[N@H+]([C@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC000619810726 1125414387 /nfs/dbraw/zinc/41/43/87/1125414387.db2.gz RNNCRSUHJKCXFU-CYBMUJFWSA-N 1 2 328.368 3.559 20 5 EHBDLO COc1ccc2c(c1)OCC[N@@H+]([C@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC000619810726 1125414390 /nfs/dbraw/zinc/41/43/90/1125414390.db2.gz RNNCRSUHJKCXFU-CYBMUJFWSA-N 1 2 328.368 3.559 20 5 EHBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2nc3c(s2)CCCC3)c1 ZINC000922700207 1129631500 /nfs/dbraw/zinc/63/15/00/1129631500.db2.gz IDVOUPGXAYJRRC-UHFFFAOYSA-N 1 2 337.832 3.873 20 5 EHBDLO CCc1ccc2c(c1)CC[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C2 ZINC001177008974 1133021544 /nfs/dbraw/zinc/02/15/44/1133021544.db2.gz UCTVTDKZMWHPIQ-UHFFFAOYSA-N 1 2 344.386 3.863 20 5 EHBDLO CCc1ccc2c(c1)CC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C2 ZINC001177008974 1133021549 /nfs/dbraw/zinc/02/15/49/1133021549.db2.gz UCTVTDKZMWHPIQ-UHFFFAOYSA-N 1 2 344.386 3.863 20 5 EHBDLO O=[N+]([O-])c1ccc2oc(C[NH+]3CC(c4ccc(Cl)cc4)C3)nc2c1 ZINC001181828908 1133537455 /nfs/dbraw/zinc/53/74/55/1133537455.db2.gz WWIDEZJKCUTYPS-UHFFFAOYSA-N 1 2 343.770 3.989 20 5 EHBDLO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000746653574 1133963641 /nfs/dbraw/zinc/96/36/41/1133963641.db2.gz LKZZMWXSEWIBJA-AWEZNQCLSA-N 1 2 348.786 3.520 20 5 EHBDLO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000746653574 1133963644 /nfs/dbraw/zinc/96/36/44/1133963644.db2.gz LKZZMWXSEWIBJA-AWEZNQCLSA-N 1 2 348.786 3.520 20 5 EHBDLO C[C@H](Nc1ccc(N2CCCCC2)c[nH+]1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815602622 1136622353 /nfs/dbraw/zinc/62/23/53/1136622353.db2.gz FWXCKQOOMBWNCO-ZDUSSCGKSA-N 1 2 341.415 3.735 20 5 EHBDLO O=[N+]([O-])c1ccc(N2CCC([NH2+]c3ccc4c(c3)CCN4)CC2)cc1 ZINC000817948540 1136850191 /nfs/dbraw/zinc/85/01/91/1136850191.db2.gz BEUZSIHARGQBCM-UHFFFAOYSA-N 1 2 338.411 3.644 20 5 EHBDLO C[C@H]1CC=CC[C@H]1COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000857781397 1136907157 /nfs/dbraw/zinc/90/71/57/1136907157.db2.gz KXMAGBLSYWVIRG-ZFWWWQNUSA-N 1 2 341.367 3.540 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)cs1 ZINC000858014485 1136931618 /nfs/dbraw/zinc/93/16/18/1136931618.db2.gz MKCVTVLJHCQNQS-HNNXBMFYSA-N 1 2 345.424 3.582 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)cs1 ZINC000858014485 1136931619 /nfs/dbraw/zinc/93/16/19/1136931619.db2.gz MKCVTVLJHCQNQS-HNNXBMFYSA-N 1 2 345.424 3.582 20 5 EHBDLO Cc1ccc(C[NH2+]Cc2ncc(C(F)(F)F)s2)cc1[N+](=O)[O-] ZINC000865788132 1137312036 /nfs/dbraw/zinc/31/20/36/1137312036.db2.gz ZNODKXJORZHWKC-UHFFFAOYSA-N 1 2 331.319 3.668 20 5 EHBDLO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)c1nnc(C(C)C)[nH]1 ZINC000872052438 1137568057 /nfs/dbraw/zinc/56/80/57/1137568057.db2.gz RXIHSPZPDLBDHE-MNOVXSKESA-N 1 2 349.460 3.970 20 5 EHBDLO Cc1ccc(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000872091159 1137570801 /nfs/dbraw/zinc/57/08/01/1137570801.db2.gz FYOYACKKIUHXPN-NSHDSACASA-N 1 2 333.319 3.801 20 5 EHBDLO CCC[C@H]([NH2+]Cc1ncnn1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000282908143 1137938508 /nfs/dbraw/zinc/93/85/08/1137938508.db2.gz XGCCVHMAMJHSJP-HNNXBMFYSA-N 1 2 331.420 3.572 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000119190016 1137939099 /nfs/dbraw/zinc/93/90/99/1137939099.db2.gz FAEHGZMLQNLUEZ-ZDUSSCGKSA-N 1 2 343.383 3.660 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000119190016 1137939100 /nfs/dbraw/zinc/93/91/00/1137939100.db2.gz FAEHGZMLQNLUEZ-ZDUSSCGKSA-N 1 2 343.383 3.660 20 5 EHBDLO Cc1cccnc1[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)C ZINC000083174543 1138174919 /nfs/dbraw/zinc/17/49/19/1138174919.db2.gz WIDYOVBZQZGWPH-QGZVFWFLSA-N 1 2 340.383 3.926 20 5 EHBDLO CC[N@H+](Cc1ccccn1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000093338971 1138236249 /nfs/dbraw/zinc/23/62/49/1138236249.db2.gz OXWTYGKOKSGTMU-UHFFFAOYSA-N 1 2 337.326 3.613 20 5 EHBDLO CC[N@@H+](Cc1ccccn1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000093338971 1138236250 /nfs/dbraw/zinc/23/62/50/1138236250.db2.gz OXWTYGKOKSGTMU-UHFFFAOYSA-N 1 2 337.326 3.613 20 5 EHBDLO COc1cc(C[N@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])ccc1O ZINC000177056350 1139595438 /nfs/dbraw/zinc/59/54/38/1139595438.db2.gz JOSOVEMDMKKTAB-UHFFFAOYSA-N 1 2 336.775 3.594 20 5 EHBDLO COc1cc(C[N@@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])ccc1O ZINC000177056350 1139595444 /nfs/dbraw/zinc/59/54/44/1139595444.db2.gz JOSOVEMDMKKTAB-UHFFFAOYSA-N 1 2 336.775 3.594 20 5 EHBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1c[nH+]cn1C ZINC000777321858 1139602923 /nfs/dbraw/zinc/60/29/23/1139602923.db2.gz BKIMUVSWEMEESN-UHFFFAOYSA-N 1 2 349.412 3.578 20 5 EHBDLO CC[C@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000271448762 1141369890 /nfs/dbraw/zinc/36/98/90/1141369890.db2.gz HWMVYQOFOZBERQ-HOTGVXAUSA-N 1 2 336.338 3.647 20 5 EHBDLO Cc1ccc([C@H](C)[NH2+][C@@H](CO)c2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000271543427 1141393810 /nfs/dbraw/zinc/39/38/10/1141393810.db2.gz YWNWUEQZNBYGFF-NHYWBVRUSA-N 1 2 336.338 3.566 20 5 EHBDLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000043045389 1032345947 /nfs/dbraw/zinc/34/59/47/1032345947.db2.gz OPZKGDCHRFWIRN-UHFFFAOYSA-N 1 2 342.742 3.686 20 5 EHBDLO COc1cc[nH+]cc1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000119135526 1019454978 /nfs/dbraw/zinc/45/49/78/1019454978.db2.gz PZYDQGTWXOUEHB-UHFFFAOYSA-N 1 2 342.380 3.734 20 5 EHBDLO C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c2nccn21 ZINC000449573819 1032832124 /nfs/dbraw/zinc/83/21/24/1032832124.db2.gz SFJUYSIDOOCNNL-WBMJQRKESA-N 1 2 338.367 3.847 20 5 EHBDLO Cc1ncc([C@H](C)[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c(C)n1 ZINC000602440189 1032888019 /nfs/dbraw/zinc/88/80/19/1032888019.db2.gz OJDBMJCSIGUABO-ZDUSSCGKSA-N 1 2 326.400 3.727 20 5 EHBDLO Cc1ncc([C@H](C)[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c(C)n1 ZINC000602440189 1032888032 /nfs/dbraw/zinc/88/80/32/1032888032.db2.gz OJDBMJCSIGUABO-ZDUSSCGKSA-N 1 2 326.400 3.727 20 5 EHBDLO Cn1cccc1C[N@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602476820 1032897072 /nfs/dbraw/zinc/89/70/72/1032897072.db2.gz GDYMUAZQLYVJKX-UHFFFAOYSA-N 1 2 327.306 3.584 20 5 EHBDLO Cn1cccc1C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602476820 1032897084 /nfs/dbraw/zinc/89/70/84/1032897084.db2.gz GDYMUAZQLYVJKX-UHFFFAOYSA-N 1 2 327.306 3.584 20 5 EHBDLO C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000441011964 1021927487 /nfs/dbraw/zinc/92/74/87/1021927487.db2.gz DXXYKUDKXAKQAR-KPZWWZAWSA-N 1 2 330.359 3.558 20 5 EHBDLO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000441011964 1021927494 /nfs/dbraw/zinc/92/74/94/1021927494.db2.gz DXXYKUDKXAKQAR-KPZWWZAWSA-N 1 2 330.359 3.558 20 5 EHBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2cc(F)ccc2F)CC1 ZINC000426843186 1023076322 /nfs/dbraw/zinc/07/63/22/1023076322.db2.gz NNJLPLZMVSQMTD-CYBMUJFWSA-N 1 2 347.365 3.756 20 5 EHBDLO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000472037570 1024433655 /nfs/dbraw/zinc/43/36/55/1024433655.db2.gz KDVHVRZOYJGNOK-UHFFFAOYSA-N 1 2 342.374 3.646 20 5 EHBDLO CCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H](C)C(=O)Nc1ccccc1 ZINC000072058779 1025276602 /nfs/dbraw/zinc/27/66/02/1025276602.db2.gz OCYUWENJHUYLRN-HNNXBMFYSA-N 1 2 341.411 3.834 20 5 EHBDLO CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H](C)C(=O)Nc1ccccc1 ZINC000072058779 1025276613 /nfs/dbraw/zinc/27/66/13/1025276613.db2.gz OCYUWENJHUYLRN-HNNXBMFYSA-N 1 2 341.411 3.834 20 5 EHBDLO CCC(=O)c1ccc(N[C@H]2C[N@H+](C)Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000530423512 1025794587 /nfs/dbraw/zinc/79/45/87/1025794587.db2.gz YTBNMHDFQHKTAM-KRWDZBQOSA-N 1 2 339.395 3.786 20 5 EHBDLO CCC(=O)c1ccc(N[C@H]2C[N@@H+](C)Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000530423512 1025794597 /nfs/dbraw/zinc/79/45/97/1025794597.db2.gz YTBNMHDFQHKTAM-KRWDZBQOSA-N 1 2 339.395 3.786 20 5 EHBDLO COc1cc(C[N@@H+]2CC3(CCC3)[C@@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000451849383 1026322832 /nfs/dbraw/zinc/32/28/32/1026322832.db2.gz HKQPDCULZOCJGI-KRWDZBQOSA-N 1 2 328.368 3.924 20 5 EHBDLO COc1cc(C[N@H+]2CC3(CCC3)[C@@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000451849383 1026322842 /nfs/dbraw/zinc/32/28/42/1026322842.db2.gz HKQPDCULZOCJGI-KRWDZBQOSA-N 1 2 328.368 3.924 20 5 EHBDLO Cc1cn2c([nH+]1)[C@@H](CNc1nccc3ccc([N+](=O)[O-])cc31)CCC2 ZINC000413208451 1027283585 /nfs/dbraw/zinc/28/35/85/1027283585.db2.gz RWCIEGOMBKFBNA-CQSZACIVSA-N 1 2 337.383 3.637 20 5 EHBDLO Cc1cc(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000420656283 1027673667 /nfs/dbraw/zinc/67/36/67/1027673667.db2.gz UKBKQTNNCLFHDM-UHFFFAOYSA-N 1 2 326.278 3.633 20 5 EHBDLO C[N@H+](Cc1cc2ccccc2o1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444635451 1028087979 /nfs/dbraw/zinc/08/79/79/1028087979.db2.gz DAOLDRMWHPUUFR-UHFFFAOYSA-N 1 2 336.351 3.849 20 5 EHBDLO C[N@@H+](Cc1cc2ccccc2o1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444635451 1028088002 /nfs/dbraw/zinc/08/80/02/1028088002.db2.gz DAOLDRMWHPUUFR-UHFFFAOYSA-N 1 2 336.351 3.849 20 5 EHBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+]([C@H]1CCCc3ccc(F)cc31)CC2 ZINC000612469193 1028124425 /nfs/dbraw/zinc/12/44/25/1028124425.db2.gz MPPLEWGPOXXZFP-SFHVURJKSA-N 1 2 327.359 3.565 20 5 EHBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+]([C@H]1CCCc3ccc(F)cc31)CC2 ZINC000612469193 1028124430 /nfs/dbraw/zinc/12/44/30/1028124430.db2.gz MPPLEWGPOXXZFP-SFHVURJKSA-N 1 2 327.359 3.565 20 5 EHBDLO O=[N+]([O-])c1ccc(-c2noc(-c3ccc(Cn4cc[nH+]c4)cc3)n2)cc1 ZINC000356103972 1028301528 /nfs/dbraw/zinc/30/15/28/1028301528.db2.gz UEQVXZMEEZJGOF-UHFFFAOYSA-N 1 2 347.334 3.557 20 5 EHBDLO Cc1ccccc1C(N)=[NH+]OCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000729674133 1028343783 /nfs/dbraw/zinc/34/37/83/1028343783.db2.gz COCAQLTZEAXTBQ-UHFFFAOYSA-N 1 2 343.383 3.737 20 5 EHBDLO O=[N+]([O-])c1cc(Cl)cnc1NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000153620250 1028381926 /nfs/dbraw/zinc/38/19/26/1028381926.db2.gz JTDHFQKGIOSBKX-UHFFFAOYSA-N 1 2 347.737 3.580 20 5 EHBDLO Cc1ccc(C[N@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000513761749 1029005501 /nfs/dbraw/zinc/00/55/01/1029005501.db2.gz OEVMLIBODNLMKU-KXBFYZLASA-N 1 2 326.396 3.865 20 5 EHBDLO Cc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000513761749 1029005524 /nfs/dbraw/zinc/00/55/24/1029005524.db2.gz OEVMLIBODNLMKU-KXBFYZLASA-N 1 2 326.396 3.865 20 5 EHBDLO Cc1cccc(CCCNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])[nH+]1 ZINC000343246349 1029886761 /nfs/dbraw/zinc/88/67/61/1029886761.db2.gz HUZYSTLICLQVOE-UHFFFAOYSA-N 1 2 340.305 3.757 20 5 EHBDLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000340434096 1030138484 /nfs/dbraw/zinc/13/84/84/1030138484.db2.gz RITQYMUOWCMJMG-GHMZBOCLSA-N 1 2 349.337 3.551 20 5 EHBDLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000340436536 1030345846 /nfs/dbraw/zinc/34/58/46/1030345846.db2.gz RITQYMUOWCMJMG-QWRGUYRKSA-N 1 2 349.337 3.551 20 5 EHBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000302802783 1031152948 /nfs/dbraw/zinc/15/29/48/1031152948.db2.gz DDAFCXITNCIZFZ-ABAIWWIYSA-N 1 2 334.807 3.841 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000536204181 1031579882 /nfs/dbraw/zinc/57/98/82/1031579882.db2.gz LVEIEZZTVMZEGB-UHFFFAOYSA-N 1 2 331.416 3.520 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000536204181 1031579888 /nfs/dbraw/zinc/57/98/88/1031579888.db2.gz LVEIEZZTVMZEGB-UHFFFAOYSA-N 1 2 331.416 3.520 20 5 EHBDLO COc1nc(C)cc(C)c1C[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000598651013 1033366528 /nfs/dbraw/zinc/36/65/28/1033366528.db2.gz ZZJDOPLQBXMCQH-CQSZACIVSA-N 1 2 329.400 3.808 20 5 EHBDLO COc1nc(C)cc(C)c1C[N@@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000598651013 1033366540 /nfs/dbraw/zinc/36/65/40/1033366540.db2.gz ZZJDOPLQBXMCQH-CQSZACIVSA-N 1 2 329.400 3.808 20 5 EHBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@H](c3ccccn3)C2)c(F)c1 ZINC000595500411 1033830252 /nfs/dbraw/zinc/83/02/52/1033830252.db2.gz CKCYQGUNTKFHIK-GFCCVEGCSA-N 1 2 333.338 3.648 20 5 EHBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@H](c3ccccn3)C2)c(F)c1 ZINC000595500411 1033830262 /nfs/dbraw/zinc/83/02/62/1033830262.db2.gz CKCYQGUNTKFHIK-GFCCVEGCSA-N 1 2 333.338 3.648 20 5 EHBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCCC(F)(F)CC1 ZINC000599551857 1034006186 /nfs/dbraw/zinc/00/61/86/1034006186.db2.gz BVXOULHKCZPNGC-UHFFFAOYSA-N 1 2 349.175 3.979 20 5 EHBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCCC(F)(F)CC1 ZINC000599551857 1034006199 /nfs/dbraw/zinc/00/61/99/1034006199.db2.gz BVXOULHKCZPNGC-UHFFFAOYSA-N 1 2 349.175 3.979 20 5 EHBDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC(C)(C)C1 ZINC000541322395 1036201371 /nfs/dbraw/zinc/20/13/71/1036201371.db2.gz KQLWNWAEIZVMOF-NSHDSACASA-N 1 2 339.823 3.555 20 5 EHBDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC(C)(C)C1 ZINC000541322395 1036201393 /nfs/dbraw/zinc/20/13/93/1036201393.db2.gz KQLWNWAEIZVMOF-NSHDSACASA-N 1 2 339.823 3.555 20 5 EHBDLO CCc1ccc([C@H]([NH2+]Cc2cccn2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541543338 1036422025 /nfs/dbraw/zinc/42/20/25/1036422025.db2.gz LCVRLVXAUKEMNZ-LJQANCHMSA-N 1 2 339.395 3.968 20 5 EHBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)Cc2ccc(Cl)cc2)c1 ZINC000589494753 1036437897 /nfs/dbraw/zinc/43/78/97/1036437897.db2.gz WFYYLKNZESFNBR-UHFFFAOYSA-N 1 2 348.786 3.667 20 5 EHBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)Cc2ccc(Cl)cc2)c1 ZINC000589494753 1036437909 /nfs/dbraw/zinc/43/79/09/1036437909.db2.gz WFYYLKNZESFNBR-UHFFFAOYSA-N 1 2 348.786 3.667 20 5 EHBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H](C)[C@@H]2c2ccccc2)c1 ZINC000589501436 1036440139 /nfs/dbraw/zinc/44/01/39/1036440139.db2.gz PECSTKLWVWHVLL-SCLBCKFNSA-N 1 2 340.379 3.574 20 5 EHBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](C)[C@@H]2c2ccccc2)c1 ZINC000589501436 1036440146 /nfs/dbraw/zinc/44/01/46/1036440146.db2.gz PECSTKLWVWHVLL-SCLBCKFNSA-N 1 2 340.379 3.574 20 5 EHBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2nnc(C3CC3)s2)cc1[N+](=O)[O-] ZINC000414336366 1036738548 /nfs/dbraw/zinc/73/85/48/1036738548.db2.gz YZXUOEHJMUOAAU-SNVBAGLBSA-N 1 2 348.428 3.573 20 5 EHBDLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000058383428 1037884248 /nfs/dbraw/zinc/88/42/48/1037884248.db2.gz ODLMTLDQFRPEHW-UHFFFAOYSA-N 1 2 347.334 3.514 20 5 EHBDLO CCc1nnc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000417354009 1039712982 /nfs/dbraw/zinc/71/29/82/1039712982.db2.gz YKHYJLGHOBCCRG-AWEZNQCLSA-N 1 2 332.429 3.566 20 5 EHBDLO Cc1ccc(C)c(OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000912711380 1040154949 /nfs/dbraw/zinc/15/49/49/1040154949.db2.gz PCVLERKEYDNOBR-UHFFFAOYSA-N 1 2 337.335 3.617 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c(F)c1 ZINC000491194105 1040960197 /nfs/dbraw/zinc/96/01/97/1040960197.db2.gz JKPKLYICLUPNTB-INIZCTEOSA-N 1 2 344.342 3.800 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c(F)c1 ZINC000491194105 1040960210 /nfs/dbraw/zinc/96/02/10/1040960210.db2.gz JKPKLYICLUPNTB-INIZCTEOSA-N 1 2 344.342 3.800 20 5 EHBDLO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)[nH]1 ZINC000278835052 1041071633 /nfs/dbraw/zinc/07/16/33/1041071633.db2.gz UKEPNYZAFWXCBD-HWWQOWPSSA-N 1 2 343.431 3.955 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000183381334 1125541907 /nfs/dbraw/zinc/54/19/07/1125541907.db2.gz MBTWCLVYGLKWIZ-DYVFJYSZSA-N 1 2 332.425 3.927 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000183381334 1125541908 /nfs/dbraw/zinc/54/19/08/1125541908.db2.gz MBTWCLVYGLKWIZ-DYVFJYSZSA-N 1 2 332.425 3.927 20 5 EHBDLO CC[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCCC2)c1cccc([N+](=O)[O-])c1 ZINC000326926911 1128522178 /nfs/dbraw/zinc/52/21/78/1128522178.db2.gz TWJDZLCTRGVLSL-XJKSGUPXSA-N 1 2 343.431 3.715 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000619076780 1125272790 /nfs/dbraw/zinc/27/27/90/1125272790.db2.gz PMZLMIXQWQCWMQ-UHFFFAOYSA-N 1 2 330.359 3.761 20 5 EHBDLO C[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccsc1 ZINC000619782613 1125404110 /nfs/dbraw/zinc/40/41/10/1125404110.db2.gz GIQWLNNJAAKAGT-JTQLQIEISA-N 1 2 330.369 3.557 20 5 EHBDLO COc1ccc(C[N@@H+]2CC[C@@](F)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000619784259 1125404155 /nfs/dbraw/zinc/40/41/55/1125404155.db2.gz KBBHYYJMRBIZGC-SFHVURJKSA-N 1 2 330.359 3.674 20 5 EHBDLO COc1ccc(C[N@H+]2CC[C@@](F)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000619784259 1125404157 /nfs/dbraw/zinc/40/41/57/1125404157.db2.gz KBBHYYJMRBIZGC-SFHVURJKSA-N 1 2 330.359 3.674 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCC[C@H]1Cc1ccc(O)cc1 ZINC001176874751 1133006164 /nfs/dbraw/zinc/00/61/64/1133006164.db2.gz VQXGHQQTDSJXJW-INIZCTEOSA-N 1 2 342.395 3.603 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCC[C@H]1Cc1ccc(O)cc1 ZINC001176874751 1133006171 /nfs/dbraw/zinc/00/61/71/1133006171.db2.gz VQXGHQQTDSJXJW-INIZCTEOSA-N 1 2 342.395 3.603 20 5 EHBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000769425684 1133282285 /nfs/dbraw/zinc/28/22/85/1133282285.db2.gz KAYANOWKOJBWDQ-DAXSKMNVSA-N 1 2 339.351 3.575 20 5 EHBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000769425684 1133282292 /nfs/dbraw/zinc/28/22/92/1133282292.db2.gz KAYANOWKOJBWDQ-DAXSKMNVSA-N 1 2 339.351 3.575 20 5 EHBDLO Cc1cccc(N2CC[NH+](Cc3ccc([N+](=O)[O-])c(Cl)c3)CC2)c1 ZINC001180461900 1133378785 /nfs/dbraw/zinc/37/87/85/1133378785.db2.gz CZYRJWJZVQGCFH-UHFFFAOYSA-N 1 2 345.830 3.879 20 5 EHBDLO CCc1ccc(C2=CC[N@H+](Cn3nc(C)c([N+](=O)[O-])c3C)CC2)cc1 ZINC000771624814 1133578302 /nfs/dbraw/zinc/57/83/02/1133578302.db2.gz TUIILWDPLJRYPI-UHFFFAOYSA-N 1 2 340.427 3.717 20 5 EHBDLO CCc1ccc(C2=CC[N@@H+](Cn3nc(C)c([N+](=O)[O-])c3C)CC2)cc1 ZINC000771624814 1133578307 /nfs/dbraw/zinc/57/83/07/1133578307.db2.gz TUIILWDPLJRYPI-UHFFFAOYSA-N 1 2 340.427 3.717 20 5 EHBDLO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nnc(-c2ccccc2)[nH]1 ZINC000786813690 1133910561 /nfs/dbraw/zinc/91/05/61/1133910561.db2.gz MBHQGGXUALONLZ-UVTDQMKNSA-N 1 2 349.394 3.573 20 5 EHBDLO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nc(-c2ccccc2)n[nH]1 ZINC000786813690 1133910562 /nfs/dbraw/zinc/91/05/62/1133910562.db2.gz MBHQGGXUALONLZ-UVTDQMKNSA-N 1 2 349.394 3.573 20 5 EHBDLO C[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809944784 1135903506 /nfs/dbraw/zinc/90/35/06/1135903506.db2.gz VLUZWQRGSOESPR-NOZJJQNGSA-N 1 2 333.215 3.637 20 5 EHBDLO C[C@@H](O)[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809944784 1135903508 /nfs/dbraw/zinc/90/35/08/1135903508.db2.gz VLUZWQRGSOESPR-NOZJJQNGSA-N 1 2 333.215 3.637 20 5 EHBDLO CCC[C@@]1(CO)CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000810019733 1135914729 /nfs/dbraw/zinc/91/47/29/1135914729.db2.gz PSDPZZDKDWRKJY-OAHLLOKOSA-N 1 2 347.242 3.886 20 5 EHBDLO CCC[C@@]1(CO)CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000810019733 1135914730 /nfs/dbraw/zinc/91/47/30/1135914730.db2.gz PSDPZZDKDWRKJY-OAHLLOKOSA-N 1 2 347.242 3.886 20 5 EHBDLO O=[N+]([O-])c1ccc(Cl)cc1CNc1ccc(N2CCCC2)c[nH+]1 ZINC000776036271 1135937988 /nfs/dbraw/zinc/93/79/88/1135937988.db2.gz KONRJPZTGBBNAU-UHFFFAOYSA-N 1 2 332.791 3.856 20 5 EHBDLO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C2 ZINC000852461641 1136457136 /nfs/dbraw/zinc/45/71/36/1136457136.db2.gz YCGUUACQWVNUAI-GASCZTMLSA-N 1 2 345.226 3.760 20 5 EHBDLO C[C@@]12COC[C@]1(C)C[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C2 ZINC000852461641 1136457139 /nfs/dbraw/zinc/45/71/39/1136457139.db2.gz YCGUUACQWVNUAI-GASCZTMLSA-N 1 2 345.226 3.760 20 5 EHBDLO CC(C)(C)c1cn(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c[nH+]1 ZINC000865376233 1137278599 /nfs/dbraw/zinc/27/85/99/1137278599.db2.gz FOTOMOIWUOYVTG-UHFFFAOYSA-N 1 2 326.356 3.792 20 5 EHBDLO C[C@H]([NH2+]Cc1noc2c1CC(C)(C)CC2)c1cccc([N+](=O)[O-])c1 ZINC000878356815 1137712372 /nfs/dbraw/zinc/71/23/72/1137712372.db2.gz ZMKKDKVXDMBXDX-LBPRGKRZSA-N 1 2 329.400 3.949 20 5 EHBDLO Cc1cncc([C@H]2CCC[N@@H+]2Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000879749524 1137757830 /nfs/dbraw/zinc/75/78/30/1137757830.db2.gz JPBBRLJLPMJQQA-QGZVFWFLSA-N 1 2 337.383 3.512 20 5 EHBDLO Cc1cncc([C@H]2CCC[N@H+]2Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000879749524 1137757831 /nfs/dbraw/zinc/75/78/31/1137757831.db2.gz JPBBRLJLPMJQQA-QGZVFWFLSA-N 1 2 337.383 3.512 20 5 EHBDLO Cc1ccc(C[N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)s1 ZINC000076342801 1138130972 /nfs/dbraw/zinc/13/09/72/1138130972.db2.gz PSXYDJRBKIOXTH-UHFFFAOYSA-N 1 2 344.396 3.647 20 5 EHBDLO Cc1ccc(C[N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)s1 ZINC000076342801 1138130973 /nfs/dbraw/zinc/13/09/73/1138130973.db2.gz PSXYDJRBKIOXTH-UHFFFAOYSA-N 1 2 344.396 3.647 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000183233881 1140023106 /nfs/dbraw/zinc/02/31/06/1140023106.db2.gz FCCCPBUYLWOWGS-UHFFFAOYSA-N 1 2 341.411 3.591 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000183233881 1140023112 /nfs/dbraw/zinc/02/31/12/1140023112.db2.gz FCCCPBUYLWOWGS-UHFFFAOYSA-N 1 2 341.411 3.591 20 5 EHBDLO C[C@@H](Nc1cc(N2CCCCC2)nc[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000271692091 1141419632 /nfs/dbraw/zinc/41/96/32/1141419632.db2.gz LWPKLAIVZIIEFM-CYBMUJFWSA-N 1 2 327.388 3.548 20 5 EHBDLO C[C@@H](Nc1cc(N2CCCCC2)[nH+]cn1)c1ccccc1[N+](=O)[O-] ZINC000271692091 1141419635 /nfs/dbraw/zinc/41/96/35/1141419635.db2.gz LWPKLAIVZIIEFM-CYBMUJFWSA-N 1 2 327.388 3.548 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000430194203 1014779172 /nfs/dbraw/zinc/77/91/72/1014779172.db2.gz HNDOLROBEDJRAP-KUHUBIRLSA-N 1 2 342.395 3.565 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000430194203 1014779182 /nfs/dbraw/zinc/77/91/82/1014779182.db2.gz HNDOLROBEDJRAP-KUHUBIRLSA-N 1 2 342.395 3.565 20 5 EHBDLO c1cn(C2CCN(c3ccc4ccc5cccnc5c4n3)CC2)c[nH+]1 ZINC001167123841 1016189521 /nfs/dbraw/zinc/18/95/21/1016189521.db2.gz KOHZKGCRYQIHFY-UHFFFAOYSA-N 1 2 329.407 3.821 20 5 EHBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c(C)c[nH+]1 ZINC000538246715 1032237425 /nfs/dbraw/zinc/23/74/25/1032237425.db2.gz ZVSUPEWPSTWNMM-UHFFFAOYSA-N 1 2 345.424 3.781 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c(Cl)c1 ZINC000289872166 1032506045 /nfs/dbraw/zinc/50/60/45/1032506045.db2.gz LVCCNCCEYXMFLV-ZDUSSCGKSA-N 1 2 341.198 3.545 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c(Cl)c1 ZINC000289872166 1032506050 /nfs/dbraw/zinc/50/60/50/1032506050.db2.gz LVCCNCCEYXMFLV-ZDUSSCGKSA-N 1 2 341.198 3.545 20 5 EHBDLO Cc1csc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC000892855812 1017593288 /nfs/dbraw/zinc/59/32/88/1017593288.db2.gz LAMAZVWOUSVVSW-SECBINFHSA-N 1 2 343.355 3.812 20 5 EHBDLO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000541117974 1017626513 /nfs/dbraw/zinc/62/65/13/1017626513.db2.gz GFAOQWLTIKEKAD-INIZCTEOSA-N 1 2 338.766 3.865 20 5 EHBDLO COc1ccccc1[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000341071037 1018390643 /nfs/dbraw/zinc/39/06/43/1018390643.db2.gz JJKGVRRZGIRTCD-NSHDSACASA-N 1 2 327.340 3.595 20 5 EHBDLO C[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)c1ccccn1 ZINC000602505974 1032939891 /nfs/dbraw/zinc/93/98/91/1032939891.db2.gz RBAIIYXLMVPCBF-MRVPVSSYSA-N 1 2 342.218 3.665 20 5 EHBDLO CCOc1cc(N(C)Cc2[nH+]cc(C)c(OC)c2C)ccc1[N+](=O)[O-] ZINC000433779445 1024311030 /nfs/dbraw/zinc/31/10/30/1024311030.db2.gz KHMVXFPKFAWAEL-UHFFFAOYSA-N 1 2 345.399 3.650 20 5 EHBDLO C[C@H]1CCSCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425441651 1025289187 /nfs/dbraw/zinc/28/91/87/1025289187.db2.gz IPUMJZZJMIKEFW-JTQLQIEISA-N 1 2 345.262 3.685 20 5 EHBDLO C[C@H]1CCSCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425441651 1025289191 /nfs/dbraw/zinc/28/91/91/1025289191.db2.gz IPUMJZZJMIKEFW-JTQLQIEISA-N 1 2 345.262 3.685 20 5 EHBDLO Cc1cn2cc(NC(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])ccc2[nH+]1 ZINC000439105331 1025743134 /nfs/dbraw/zinc/74/31/34/1025743134.db2.gz CQPSXRDJMZFZGZ-UHFFFAOYSA-N 1 2 344.758 3.765 20 5 EHBDLO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3nnc(C4CC4)s3)C2)cc1 ZINC000451548479 1026097903 /nfs/dbraw/zinc/09/79/03/1026097903.db2.gz NOGYRJJOMUHJGE-CQSZACIVSA-N 1 2 344.440 3.703 20 5 EHBDLO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3nnc(C4CC4)s3)C2)cc1 ZINC000451548479 1026097915 /nfs/dbraw/zinc/09/79/15/1026097915.db2.gz NOGYRJJOMUHJGE-CQSZACIVSA-N 1 2 344.440 3.703 20 5 EHBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc(F)cc1Br ZINC000050015811 1026348588 /nfs/dbraw/zinc/34/85/88/1026348588.db2.gz QNTUPJKFCUSPED-UHFFFAOYSA-N 1 2 339.164 3.786 20 5 EHBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC=CCC2)cc1OC ZINC000611669002 1027211855 /nfs/dbraw/zinc/21/18/55/1027211855.db2.gz FVEMPWYOLSQSJE-CQSZACIVSA-N 1 2 334.416 3.790 20 5 EHBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC=CCC2)cc1OC ZINC000611669002 1027211864 /nfs/dbraw/zinc/21/18/64/1027211864.db2.gz FVEMPWYOLSQSJE-CQSZACIVSA-N 1 2 334.416 3.790 20 5 EHBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccc(F)c(Cl)c1 ZINC000444689709 1028163787 /nfs/dbraw/zinc/16/37/87/1028163787.db2.gz HCXDOZBEOSVAIM-UHFFFAOYSA-N 1 2 348.765 3.896 20 5 EHBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccc(F)c(Cl)c1 ZINC000444689709 1028163797 /nfs/dbraw/zinc/16/37/97/1028163797.db2.gz HCXDOZBEOSVAIM-UHFFFAOYSA-N 1 2 348.765 3.896 20 5 EHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1CO[NH+]=C(N)Cc1ccccc1 ZINC000729673865 1028346816 /nfs/dbraw/zinc/34/68/16/1028346816.db2.gz APTJDCNPVYECCP-UHFFFAOYSA-N 1 2 343.383 3.623 20 5 EHBDLO COc1cc(C[N@@H+]2CCCc3sccc3C2)c([N+](=O)[O-])cc1F ZINC000613378894 1028796933 /nfs/dbraw/zinc/79/69/33/1028796933.db2.gz NZZJWYRDADZDOF-UHFFFAOYSA-N 1 2 336.388 3.752 20 5 EHBDLO COc1cc(C[N@H+]2CCCc3sccc3C2)c([N+](=O)[O-])cc1F ZINC000613378894 1028796950 /nfs/dbraw/zinc/79/69/50/1028796950.db2.gz NZZJWYRDADZDOF-UHFFFAOYSA-N 1 2 336.388 3.752 20 5 EHBDLO O=[N+]([O-])c1c(NCc2cccc(-n3cc[nH+]c3)c2)ccc2ncccc21 ZINC000343275223 1030051134 /nfs/dbraw/zinc/05/11/34/1030051134.db2.gz MOAYPLRGZORZFI-UHFFFAOYSA-N 1 2 345.362 3.941 20 5 EHBDLO Cc1cc(N)nc(SCc2ccc([N+](=O)[O-])cc2C(F)(F)F)[nH+]1 ZINC000159422242 1030195268 /nfs/dbraw/zinc/19/52/68/1030195268.db2.gz UQZSGMXZXUXFIU-UHFFFAOYSA-N 1 2 344.318 3.587 20 5 EHBDLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000340450358 1030492554 /nfs/dbraw/zinc/49/25/54/1030492554.db2.gz XSGKQTRSSCXVEO-GHMZBOCLSA-N 1 2 349.337 3.551 20 5 EHBDLO COc1cc(C[N@@H+]2CCc3cc(C)ccc3C2)c([N+](=O)[O-])cc1F ZINC000484011051 1031423921 /nfs/dbraw/zinc/42/39/21/1031423921.db2.gz HNNMPNFNCURSSS-UHFFFAOYSA-N 1 2 330.359 3.609 20 5 EHBDLO COc1cc(C[N@H+]2CCc3cc(C)ccc3C2)c([N+](=O)[O-])cc1F ZINC000484011051 1031423928 /nfs/dbraw/zinc/42/39/28/1031423928.db2.gz HNNMPNFNCURSSS-UHFFFAOYSA-N 1 2 330.359 3.609 20 5 EHBDLO C[C@@H](O)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1F ZINC000593659844 1033634290 /nfs/dbraw/zinc/63/42/90/1033634290.db2.gz WMRBCVVRMWAROS-QLJPJBMISA-N 1 2 338.766 3.599 20 5 EHBDLO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595447991 1033814809 /nfs/dbraw/zinc/81/48/09/1033814809.db2.gz VSWSDQNSVAJUQI-UHFFFAOYSA-N 1 2 342.374 3.646 20 5 EHBDLO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H](c3ccccn3)C3CCC3)nc2c1 ZINC000599573660 1034018928 /nfs/dbraw/zinc/01/89/28/1034018928.db2.gz KFIZRITYAOKAGZ-SFHVURJKSA-N 1 2 338.367 3.762 20 5 EHBDLO CCC[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450589511 1034562207 /nfs/dbraw/zinc/56/22/07/1034562207.db2.gz UKRIEUHIAFCFDP-OAHLLOKOSA-N 1 2 342.399 3.575 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000612578717 1035075231 /nfs/dbraw/zinc/07/52/31/1035075231.db2.gz AVZPKXZVPSRVSM-KXBFYZLASA-N 1 2 326.396 3.865 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000612578717 1035075238 /nfs/dbraw/zinc/07/52/38/1035075238.db2.gz AVZPKXZVPSRVSM-KXBFYZLASA-N 1 2 326.396 3.865 20 5 EHBDLO CC(=O)c1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)c([N+](=O)[O-])c1 ZINC000066372388 1035419501 /nfs/dbraw/zinc/41/95/01/1035419501.db2.gz KCNZGLQSIWNIFB-UHFFFAOYSA-N 1 2 336.351 3.595 20 5 EHBDLO C[C@@H]1C[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H](C)S1 ZINC000535084691 1035980965 /nfs/dbraw/zinc/98/09/65/1035980965.db2.gz UVPJZKMVXQOCJF-NXEZZACHSA-N 1 2 332.372 3.522 20 5 EHBDLO CCOc1cc(C[N@@H+]2CCOC3(CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000492651043 1036134509 /nfs/dbraw/zinc/13/45/09/1036134509.db2.gz JDZXZNIPNGHKCP-UHFFFAOYSA-N 1 2 334.416 3.529 20 5 EHBDLO CCOc1cc(C[N@H+]2CCOC3(CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000492651043 1036134522 /nfs/dbraw/zinc/13/45/22/1036134522.db2.gz JDZXZNIPNGHKCP-UHFFFAOYSA-N 1 2 334.416 3.529 20 5 EHBDLO COc1cc(C[N@@H+]2CCc3ccccc3[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000464686533 1036668439 /nfs/dbraw/zinc/66/84/39/1036668439.db2.gz CUHCDTSGSVWWID-LBPRGKRZSA-N 1 2 330.359 3.862 20 5 EHBDLO COc1cc(C[N@H+]2CCc3ccccc3[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000464686533 1036668448 /nfs/dbraw/zinc/66/84/48/1036668448.db2.gz CUHCDTSGSVWWID-LBPRGKRZSA-N 1 2 330.359 3.862 20 5 EHBDLO O=[N+]([O-])c1cc(F)ccc1NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000030587554 1038068832 /nfs/dbraw/zinc/06/88/32/1038068832.db2.gz QIMFGDJNGQPRKO-UHFFFAOYSA-N 1 2 326.331 3.591 20 5 EHBDLO Cc1ccsc1C[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000051735099 1040094319 /nfs/dbraw/zinc/09/43/19/1040094319.db2.gz DZYIDFPPNSUCRJ-UHFFFAOYSA-N 1 2 344.396 3.647 20 5 EHBDLO Cc1ccsc1C[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000051735099 1040094336 /nfs/dbraw/zinc/09/43/36/1040094336.db2.gz DZYIDFPPNSUCRJ-UHFFFAOYSA-N 1 2 344.396 3.647 20 5 EHBDLO Cc1cc(N[C@@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000555122699 1040173646 /nfs/dbraw/zinc/17/36/46/1040173646.db2.gz ZHKPBZIVZUQIMY-JTQLQIEISA-N 1 2 328.294 3.619 20 5 EHBDLO CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000053376437 1040265939 /nfs/dbraw/zinc/26/59/39/1040265939.db2.gz CIFCNYXSBMNSGS-NSHDSACASA-N 1 2 339.823 3.697 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)cs1 ZINC000066899136 1042278350 /nfs/dbraw/zinc/27/83/50/1042278350.db2.gz CLSQTCRPAYDTCS-AWEZNQCLSA-N 1 2 346.408 3.765 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)cs1 ZINC000066899136 1042278353 /nfs/dbraw/zinc/27/83/53/1042278353.db2.gz CLSQTCRPAYDTCS-AWEZNQCLSA-N 1 2 346.408 3.765 20 5 EHBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000585756375 1043025291 /nfs/dbraw/zinc/02/52/91/1043025291.db2.gz GZTONAHSDYSATH-OXQOHEQNSA-N 1 2 339.439 3.515 20 5 EHBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000585756375 1043025297 /nfs/dbraw/zinc/02/52/97/1043025297.db2.gz GZTONAHSDYSATH-OXQOHEQNSA-N 1 2 339.439 3.515 20 5 EHBDLO Cc1ccc(NCc2cc[nH+]c(N3CCCCC3)c2)c([N+](=O)[O-])c1 ZINC000301429117 1127765274 /nfs/dbraw/zinc/76/52/74/1127765274.db2.gz FIDLFZVSYGGLSY-UHFFFAOYSA-N 1 2 326.400 3.901 20 5 EHBDLO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2nnc3n2CCCCC3)cc1[N+](=O)[O-] ZINC000326815549 1128450771 /nfs/dbraw/zinc/45/07/71/1128450771.db2.gz WLAHNLCSRQYTOM-KBPBESRZSA-N 1 2 343.431 3.633 20 5 EHBDLO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])s1)c1c(F)cccc1F ZINC000609670976 1123639484 /nfs/dbraw/zinc/63/94/84/1123639484.db2.gz YMFVVUKNARMZOS-LLVKDONJSA-N 1 2 327.356 3.649 20 5 EHBDLO COC(=O)c1sccc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181819377 1125046794 /nfs/dbraw/zinc/04/67/94/1125046794.db2.gz PPPGXCVGRLASPE-LLVKDONJSA-N 1 2 334.397 3.602 20 5 EHBDLO Cc1cccc(C)c1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000070674778 1129519164 /nfs/dbraw/zinc/51/91/64/1129519164.db2.gz INASWTIIUXMDFS-UHFFFAOYSA-N 1 2 336.351 3.650 20 5 EHBDLO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)cc1[N+](=O)[O-] ZINC000093768866 1129602087 /nfs/dbraw/zinc/60/20/87/1129602087.db2.gz MHOXDXNVTDIBMA-DYVFJYSZSA-N 1 2 332.425 3.927 20 5 EHBDLO Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)cc1[N+](=O)[O-] ZINC000093768866 1129602088 /nfs/dbraw/zinc/60/20/88/1129602088.db2.gz MHOXDXNVTDIBMA-DYVFJYSZSA-N 1 2 332.425 3.927 20 5 EHBDLO Cc1cc([N@H+]2CCCC[C@H]2C)ccc1Nc1ncc([N+](=O)[O-])cn1 ZINC000302216356 1129773383 /nfs/dbraw/zinc/77/33/83/1129773383.db2.gz JLXYVTLVMKREPI-CYBMUJFWSA-N 1 2 327.388 3.816 20 5 EHBDLO Cc1cc([N@@H+]2CCCC[C@H]2C)ccc1Nc1ncc([N+](=O)[O-])cn1 ZINC000302216356 1129773386 /nfs/dbraw/zinc/77/33/86/1129773386.db2.gz JLXYVTLVMKREPI-CYBMUJFWSA-N 1 2 327.388 3.816 20 5 EHBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000302796851 1129792577 /nfs/dbraw/zinc/79/25/77/1129792577.db2.gz AAWVUJAWRKYFHQ-GFCCVEGCSA-N 1 2 332.791 3.642 20 5 EHBDLO CC(C)([NH2+]Cc1nc2cc(F)ccc2o1)c1ccccc1[N+](=O)[O-] ZINC000429237228 1130166188 /nfs/dbraw/zinc/16/61/88/1130166188.db2.gz NLIHKUMXURCKIJ-UHFFFAOYSA-N 1 2 329.331 3.900 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000245533298 1130233478 /nfs/dbraw/zinc/23/34/78/1130233478.db2.gz VHIIBYXUZVRMRD-AUUYWEPGSA-N 1 2 342.395 3.743 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000245533298 1130233484 /nfs/dbraw/zinc/23/34/84/1130233484.db2.gz VHIIBYXUZVRMRD-AUUYWEPGSA-N 1 2 342.395 3.743 20 5 EHBDLO CCOc1cc(C[N@@H+]2CCCC[C@H]2c2cc(C)n[nH]2)ccc1[N+](=O)[O-] ZINC001176485432 1132945681 /nfs/dbraw/zinc/94/56/81/1132945681.db2.gz NKFQBVRPPQXHEE-INIZCTEOSA-N 1 2 344.415 3.752 20 5 EHBDLO CCOc1cc(C[N@H+]2CCCC[C@H]2c2cc(C)n[nH]2)ccc1[N+](=O)[O-] ZINC001176485432 1132945686 /nfs/dbraw/zinc/94/56/86/1132945686.db2.gz NKFQBVRPPQXHEE-INIZCTEOSA-N 1 2 344.415 3.752 20 5 EHBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2nc3c(s2)CCCC3)c(Cl)c1 ZINC000767192517 1132964567 /nfs/dbraw/zinc/96/45/67/1132964567.db2.gz QJJBQKMTJOGLAC-UHFFFAOYSA-N 1 2 337.832 3.873 20 5 EHBDLO Cn1cnc(C[NH2+]Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c1 ZINC001179771407 1133277233 /nfs/dbraw/zinc/27/72/33/1133277233.db2.gz CKTJNYTZIUURCV-UHFFFAOYSA-N 1 2 346.774 3.532 20 5 EHBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3coc(C4CC4)n3)CC2)cc1 ZINC000769482447 1133288857 /nfs/dbraw/zinc/28/88/57/1133288857.db2.gz CNAJXRZMTGILDP-UHFFFAOYSA-N 1 2 343.383 3.504 20 5 EHBDLO C[C@@]12CC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]1C2(Cl)Cl ZINC000792907498 1134820742 /nfs/dbraw/zinc/82/07/42/1134820742.db2.gz KZPPSEIGZVCJGJ-QWHCGFSZSA-N 1 2 333.190 3.750 20 5 EHBDLO C[C@@]12CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]1C2(Cl)Cl ZINC000792907498 1134820750 /nfs/dbraw/zinc/82/07/50/1134820750.db2.gz KZPPSEIGZVCJGJ-QWHCGFSZSA-N 1 2 333.190 3.750 20 5 EHBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CCCCC[C@@H]1CO ZINC001195660168 1135453407 /nfs/dbraw/zinc/45/34/07/1135453407.db2.gz WJNHOTAHOJTJPS-GFCCVEGCSA-N 1 2 333.215 3.639 20 5 EHBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CCCCC[C@@H]1CO ZINC001195660168 1135453409 /nfs/dbraw/zinc/45/34/09/1135453409.db2.gz WJNHOTAHOJTJPS-GFCCVEGCSA-N 1 2 333.215 3.639 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000338923439 1136177202 /nfs/dbraw/zinc/17/72/02/1136177202.db2.gz VDTKFFIWSLHDQN-INIZCTEOSA-N 1 2 330.359 3.647 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000338923439 1136177205 /nfs/dbraw/zinc/17/72/05/1136177205.db2.gz VDTKFFIWSLHDQN-INIZCTEOSA-N 1 2 330.359 3.647 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC(C)=C(Br)C1 ZINC000797605352 1136560770 /nfs/dbraw/zinc/56/07/70/1136560770.db2.gz PSXLUCVRIPLZPM-UHFFFAOYSA-N 1 2 325.206 3.778 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC(C)=C(Br)C1 ZINC000797605352 1136560773 /nfs/dbraw/zinc/56/07/73/1136560773.db2.gz PSXLUCVRIPLZPM-UHFFFAOYSA-N 1 2 325.206 3.778 20 5 EHBDLO O=[N+]([O-])c1ccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(C(F)F)c1 ZINC000865735161 1137307856 /nfs/dbraw/zinc/30/78/56/1137307856.db2.gz FIVLXIQDFHWPCV-CYBMUJFWSA-N 1 2 335.310 3.585 20 5 EHBDLO C[C@@H](O)[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1F ZINC000846019001 1137326477 /nfs/dbraw/zinc/32/64/77/1137326477.db2.gz XDYKFJUWAUJHFA-QLJPJBMISA-N 1 2 338.766 3.599 20 5 EHBDLO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cn2ccsc2n1 ZINC000872029116 1137566192 /nfs/dbraw/zinc/56/61/92/1137566192.db2.gz VAHPKDIPKXEANE-SNVBAGLBSA-N 1 2 348.453 3.877 20 5 EHBDLO COc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872044568 1137567345 /nfs/dbraw/zinc/56/73/45/1137567345.db2.gz CFNXDFHJPHXNPN-SMDDNHRTSA-N 1 2 346.358 3.917 20 5 EHBDLO CCn1ccnc1[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872075959 1137570061 /nfs/dbraw/zinc/57/00/61/1137570061.db2.gz HAMPQELZVHZLHX-VXGBXAGGSA-N 1 2 334.445 3.945 20 5 EHBDLO COc1cnc(F)c(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000876582600 1137656240 /nfs/dbraw/zinc/65/62/40/1137656240.db2.gz UHCHDXOOKMAGCU-UHFFFAOYSA-N 1 2 333.363 3.548 20 5 EHBDLO COc1cnc(F)c(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000876582600 1137656241 /nfs/dbraw/zinc/65/62/41/1137656241.db2.gz UHCHDXOOKMAGCU-UHFFFAOYSA-N 1 2 333.363 3.548 20 5 EHBDLO COc1ccc([C@H]2C[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])CCO2)cc1 ZINC000879633601 1137753070 /nfs/dbraw/zinc/75/30/70/1137753070.db2.gz IWPNYFUKFUFQLP-IFXJQAMLSA-N 1 2 342.395 3.738 20 5 EHBDLO COc1ccc([C@H]2C[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])CCO2)cc1 ZINC000879633601 1137753071 /nfs/dbraw/zinc/75/30/71/1137753071.db2.gz IWPNYFUKFUFQLP-IFXJQAMLSA-N 1 2 342.395 3.738 20 5 EHBDLO C[C@H]1c2sccc2CC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000880378220 1137777322 /nfs/dbraw/zinc/77/73/22/1137777322.db2.gz QOCUVJVXZVGLIG-NSHDSACASA-N 1 2 346.408 3.642 20 5 EHBDLO C[C@H]1c2sccc2CC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000880378220 1137777323 /nfs/dbraw/zinc/77/73/23/1137777323.db2.gz QOCUVJVXZVGLIG-NSHDSACASA-N 1 2 346.408 3.642 20 5 EHBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000106875062 1137884737 /nfs/dbraw/zinc/88/47/37/1137884737.db2.gz APKZDVFAKYIWKJ-NSHDSACASA-N 1 2 335.429 3.870 20 5 EHBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000106875062 1137884738 /nfs/dbraw/zinc/88/47/38/1137884738.db2.gz APKZDVFAKYIWKJ-NSHDSACASA-N 1 2 335.429 3.870 20 5 EHBDLO COc1ccc2c(c1)C[C@H](C)[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@H]2C ZINC000886122480 1138049067 /nfs/dbraw/zinc/04/90/67/1138049067.db2.gz BQIFTSHVDQJOAV-STQMWFEESA-N 1 2 327.384 3.506 20 5 EHBDLO COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1cccnc1[N+](=O)[O-])[C@H]2C ZINC000886122480 1138049070 /nfs/dbraw/zinc/04/90/70/1138049070.db2.gz BQIFTSHVDQJOAV-STQMWFEESA-N 1 2 327.384 3.506 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000338196230 1138783305 /nfs/dbraw/zinc/78/33/05/1138783305.db2.gz NOKBSUOHIPIUID-KBXCAEBGSA-N 1 2 342.395 3.558 20 5 EHBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nc(-c3cccs3)no2)cc1[N+](=O)[O-] ZINC000181821632 1139934354 /nfs/dbraw/zinc/93/43/54/1139934354.db2.gz RUGJRLDPYCGWJO-LLVKDONJSA-N 1 2 344.396 3.866 20 5 EHBDLO CO[C@H](C)c1nc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cs1 ZINC000269109204 1141066902 /nfs/dbraw/zinc/06/69/02/1141066902.db2.gz VJSINOYHUCNPCZ-VXGBXAGGSA-N 1 2 335.429 3.918 20 5 EHBDLO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2nnc(C)s2)cc1[N+](=O)[O-] ZINC000274274159 1141492165 /nfs/dbraw/zinc/49/21/65/1141492165.db2.gz XFIKCPJFZLZEIW-NXEZZACHSA-N 1 2 336.417 3.565 20 5 EHBDLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000339135459 1141506428 /nfs/dbraw/zinc/50/64/28/1141506428.db2.gz OFSRMODPXSSFDR-UHFFFAOYSA-N 1 2 348.318 3.779 20 5 EHBDLO Cc1c([C@@H](C)[NH2+][C@@H]2COc3cc(F)cc(F)c32)cccc1[N+](=O)[O-] ZINC000359868623 1015880454 /nfs/dbraw/zinc/88/04/54/1015880454.db2.gz KPDWLCIEISHINN-QMTHXVAHSA-N 1 2 334.322 3.966 20 5 EHBDLO C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2nccn21 ZINC000449572843 1032830118 /nfs/dbraw/zinc/83/01/18/1032830118.db2.gz OGVWHFRJBXULBM-LRDDRELGSA-N 1 2 338.367 3.847 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000182827645 1019757035 /nfs/dbraw/zinc/75/70/35/1019757035.db2.gz VAMXPLDYNZNZHI-OLZOCXBDSA-N 1 2 345.365 3.533 20 5 EHBDLO Cc1cccn2cc(CCNc3ccc4ncccc4c3[N+](=O)[O-])[nH+]c12 ZINC000610468806 1020276108 /nfs/dbraw/zinc/27/61/08/1020276108.db2.gz CKZCIZKPBGIZCW-UHFFFAOYSA-N 1 2 347.378 3.754 20 5 EHBDLO Cc1ccc2c(c1C)OC[C@@H]2[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602506820 1032941009 /nfs/dbraw/zinc/94/10/09/1032941009.db2.gz QDWXMUCPDLTAKN-HNNXBMFYSA-N 1 2 339.351 3.576 20 5 EHBDLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000060868446 1033110502 /nfs/dbraw/zinc/11/05/02/1033110502.db2.gz HPVCDZLVCZIQNV-UHFFFAOYSA-N 1 2 342.742 3.686 20 5 EHBDLO CCOc1cc(COc2cccc(-n3cc[nH+]c3)c2)ccc1[N+](=O)[O-] ZINC000428290927 1024597677 /nfs/dbraw/zinc/59/76/77/1024597677.db2.gz YGEKNCDQVLUNBO-UHFFFAOYSA-N 1 2 339.351 3.758 20 5 EHBDLO C[C@H]([NH2+]Cc1csc(N(C)C2CC2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000451107860 1025543143 /nfs/dbraw/zinc/54/31/43/1025543143.db2.gz UDKVNDDCMUQNDE-NSHDSACASA-N 1 2 332.429 3.501 20 5 EHBDLO C[C@@H](c1ccco1)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000444663746 1028134692 /nfs/dbraw/zinc/13/46/92/1028134692.db2.gz PDFNVWBFXAJWON-NSHDSACASA-N 1 2 326.356 3.790 20 5 EHBDLO C[C@@H](c1ccco1)[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000444663746 1028134696 /nfs/dbraw/zinc/13/46/96/1028134696.db2.gz PDFNVWBFXAJWON-NSHDSACASA-N 1 2 326.356 3.790 20 5 EHBDLO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])[nH]1 ZINC000573137236 1028545120 /nfs/dbraw/zinc/54/51/20/1028545120.db2.gz HZTJYGDWFVLOLV-COPLHBTASA-N 1 2 329.404 3.565 20 5 EHBDLO O=[N+]([O-])c1cccc(C[NH2+][C@H](CO)c2c(Cl)cccc2Cl)c1 ZINC000475634738 1029093545 /nfs/dbraw/zinc/09/35/45/1029093545.db2.gz NSSLPEBNQHPWIO-CQSZACIVSA-N 1 2 341.194 3.725 20 5 EHBDLO O=[N+]([O-])c1cccc(C[NH2+][C@@H](CO)c2c(Cl)cccc2Cl)c1 ZINC000475634694 1029094167 /nfs/dbraw/zinc/09/41/67/1029094167.db2.gz NSSLPEBNQHPWIO-AWEZNQCLSA-N 1 2 341.194 3.725 20 5 EHBDLO C[C@H]1C[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H](C)S1 ZINC000159430490 1030189594 /nfs/dbraw/zinc/18/95/94/1030189594.db2.gz OQCZANZHMCCRHP-UWVGGRQHSA-N 1 2 345.262 3.683 20 5 EHBDLO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000160737317 1030963101 /nfs/dbraw/zinc/96/31/01/1030963101.db2.gz PFZIIEGTLOOPMU-GFCCVEGCSA-N 1 2 340.408 3.964 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803222 1031699303 /nfs/dbraw/zinc/69/93/03/1031699303.db2.gz FAHSCTKSLMGZNE-MRXNPFEDSA-N 1 2 345.424 3.740 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803222 1031699310 /nfs/dbraw/zinc/69/93/10/1031699310.db2.gz FAHSCTKSLMGZNE-MRXNPFEDSA-N 1 2 345.424 3.740 20 5 EHBDLO Cc1noc(C[N@H+]2CCS[C@@H](C)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595320152 1033742262 /nfs/dbraw/zinc/74/22/62/1033742262.db2.gz DVDHSQGHVBNXPC-BLLLJJGKSA-N 1 2 333.413 3.570 20 5 EHBDLO Cc1noc(C[N@@H+]2CCS[C@@H](C)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595320152 1033742276 /nfs/dbraw/zinc/74/22/76/1033742276.db2.gz DVDHSQGHVBNXPC-BLLLJJGKSA-N 1 2 333.413 3.570 20 5 EHBDLO COC(=O)c1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000130407750 1033890292 /nfs/dbraw/zinc/89/02/92/1033890292.db2.gz RQAGFYVVYLNNLV-UHFFFAOYSA-N 1 2 346.408 3.608 20 5 EHBDLO COC(=O)c1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000130407750 1033890315 /nfs/dbraw/zinc/89/03/15/1033890315.db2.gz RQAGFYVVYLNNLV-UHFFFAOYSA-N 1 2 346.408 3.608 20 5 EHBDLO COc1ccc([C@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)C2CC2)cn1 ZINC000599702160 1034104322 /nfs/dbraw/zinc/10/43/22/1034104322.db2.gz GFACFAMBQYKJSJ-QGZVFWFLSA-N 1 2 349.337 3.518 20 5 EHBDLO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000596597175 1034312096 /nfs/dbraw/zinc/31/20/96/1034312096.db2.gz KLSQNHKRRZURNY-UHFFFAOYSA-N 1 2 334.807 3.556 20 5 EHBDLO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000596597175 1034312112 /nfs/dbraw/zinc/31/21/12/1034312112.db2.gz KLSQNHKRRZURNY-UHFFFAOYSA-N 1 2 334.807 3.556 20 5 EHBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cn1ccc(C(F)(F)F)n1 ZINC000065941950 1034980252 /nfs/dbraw/zinc/98/02/52/1034980252.db2.gz QEVMVQPBVCMGSF-UHFFFAOYSA-N 1 2 342.321 3.678 20 5 EHBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cn1ccc(C(F)(F)F)n1 ZINC000065941950 1034980257 /nfs/dbraw/zinc/98/02/57/1034980257.db2.gz QEVMVQPBVCMGSF-UHFFFAOYSA-N 1 2 342.321 3.678 20 5 EHBDLO CC[C@]1(C)CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000464782590 1036780372 /nfs/dbraw/zinc/78/03/72/1036780372.db2.gz YKQBUBZORXZCCN-MRXNPFEDSA-N 1 2 339.823 3.699 20 5 EHBDLO CC[C@]1(C)CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000464782590 1036780392 /nfs/dbraw/zinc/78/03/92/1036780392.db2.gz YKQBUBZORXZCCN-MRXNPFEDSA-N 1 2 339.823 3.699 20 5 EHBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3c3ccc[nH]3)co2)cc1 ZINC000089910439 1036971339 /nfs/dbraw/zinc/97/13/39/1036971339.db2.gz VGORQCBWALIZSD-QGZVFWFLSA-N 1 2 338.367 3.915 20 5 EHBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@@H]3c3ccc[nH]3)co2)cc1 ZINC000089910439 1036971357 /nfs/dbraw/zinc/97/13/57/1036971357.db2.gz VGORQCBWALIZSD-QGZVFWFLSA-N 1 2 338.367 3.915 20 5 EHBDLO Cc1cc(-c2noc([C@H](CC(C)C)n3cc[nH+]c3)n2)cc([N+](=O)[O-])c1 ZINC000924092254 1037604315 /nfs/dbraw/zinc/60/43/15/1037604315.db2.gz AKODBMDQNGPMGT-HNNXBMFYSA-N 1 2 341.371 3.785 20 5 EHBDLO COc1ccc([C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C(C)C)cc1 ZINC000549927867 1037641795 /nfs/dbraw/zinc/64/17/95/1037641795.db2.gz HPAZZDGTMCUDGJ-GOSISDBHSA-N 1 2 330.384 3.796 20 5 EHBDLO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549845167 1040033917 /nfs/dbraw/zinc/03/39/17/1040033917.db2.gz GQWCROHNBFQFPQ-ZJUUUORDSA-N 1 2 334.363 3.939 20 5 EHBDLO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549845167 1040033900 /nfs/dbraw/zinc/03/39/00/1040033900.db2.gz GQWCROHNBFQFPQ-ZJUUUORDSA-N 1 2 334.363 3.939 20 5 EHBDLO O=[N+]([O-])c1cccc(Cl)c1NC1CCN(c2cccc[nH+]2)CC1 ZINC000432337516 1042970794 /nfs/dbraw/zinc/97/07/94/1042970794.db2.gz RMCPGPJRSRCBAM-UHFFFAOYSA-N 1 2 332.791 3.724 20 5 EHBDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000301301628 1127736024 /nfs/dbraw/zinc/73/60/24/1127736024.db2.gz RJYMSMJCNXTHIO-ZDUSSCGKSA-N 1 2 346.818 3.526 20 5 EHBDLO O=C(CCCn1cc[nH+]c1)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000609859235 1123677675 /nfs/dbraw/zinc/67/76/75/1123677675.db2.gz SCWFGFBQNSVMMP-UHFFFAOYSA-N 1 2 342.399 3.547 20 5 EHBDLO CCOc1ccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1OC ZINC000093443823 1125250680 /nfs/dbraw/zinc/25/06/80/1125250680.db2.gz PTIGHTULLWKVQK-UHFFFAOYSA-N 1 2 342.395 3.560 20 5 EHBDLO CCOc1ccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1OC ZINC000093443823 1125250682 /nfs/dbraw/zinc/25/06/82/1125250682.db2.gz PTIGHTULLWKVQK-UHFFFAOYSA-N 1 2 342.395 3.560 20 5 EHBDLO Cc1ccc2[nH+]cc(CN(Cc3ccccc3[N+](=O)[O-])C3CC3)n2c1 ZINC000154325185 1129550180 /nfs/dbraw/zinc/55/01/80/1129550180.db2.gz DRPWYBABACHMLD-UHFFFAOYSA-N 1 2 336.395 3.716 20 5 EHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](Cc1ccncc1)C1CC1 ZINC000124884965 1129642061 /nfs/dbraw/zinc/64/20/61/1129642061.db2.gz SHRIHNDLTXYUEK-UHFFFAOYSA-N 1 2 341.411 3.942 20 5 EHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](Cc1ccncc1)C1CC1 ZINC000124884965 1129642063 /nfs/dbraw/zinc/64/20/63/1129642063.db2.gz SHRIHNDLTXYUEK-UHFFFAOYSA-N 1 2 341.411 3.942 20 5 EHBDLO CCc1cccc(NC(=O)C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000732230306 1130903184 /nfs/dbraw/zinc/90/31/84/1130903184.db2.gz BKMIBUXRWSNNEP-UHFFFAOYSA-N 1 2 347.802 3.539 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCOc2cc(F)ccc2C1 ZINC001175045726 1132549468 /nfs/dbraw/zinc/54/94/68/1132549468.db2.gz VJIFLEXFHQGNOT-ZDUSSCGKSA-N 1 2 330.359 3.998 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCOc2cc(F)ccc2C1 ZINC001175045726 1132549474 /nfs/dbraw/zinc/54/94/74/1132549474.db2.gz VJIFLEXFHQGNOT-ZDUSSCGKSA-N 1 2 330.359 3.998 20 5 EHBDLO CCOC(=O)c1c[nH+]c(N)n1-c1cc2ccccc2c2ccccc21 ZINC001175113550 1132557012 /nfs/dbraw/zinc/55/70/12/1132557012.db2.gz SMLKHPHGUOKFRQ-UHFFFAOYSA-N 1 2 331.375 3.938 20 5 EHBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cc(Cl)cs3)CC2)cc1 ZINC000787050624 1133943819 /nfs/dbraw/zinc/94/38/19/1133943819.db2.gz RRJNBDOPVWYVEJ-UHFFFAOYSA-N 1 2 337.832 3.632 20 5 EHBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])Cc2ccccc21 ZINC000774819440 1134030168 /nfs/dbraw/zinc/03/01/68/1134030168.db2.gz LQQHNZYAGRQSEX-GFCCVEGCSA-N 1 2 327.340 3.622 20 5 EHBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])Cc2ccccc21 ZINC000774819440 1134030174 /nfs/dbraw/zinc/03/01/74/1134030174.db2.gz LQQHNZYAGRQSEX-GFCCVEGCSA-N 1 2 327.340 3.622 20 5 EHBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1COc2ccccc2O1 ZINC000788464417 1134128154 /nfs/dbraw/zinc/12/81/54/1134128154.db2.gz QMHHYYINQUUICN-CQSZACIVSA-N 1 2 348.786 3.520 20 5 EHBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1COc2ccccc2O1 ZINC000788464417 1134128157 /nfs/dbraw/zinc/12/81/57/1134128157.db2.gz QMHHYYINQUUICN-CQSZACIVSA-N 1 2 348.786 3.520 20 5 EHBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000792877664 1134809672 /nfs/dbraw/zinc/80/96/72/1134809672.db2.gz VMHATUMJIMGJEF-SECBINFHSA-N 1 2 337.282 3.632 20 5 EHBDLO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809986130 1135908942 /nfs/dbraw/zinc/90/89/42/1135908942.db2.gz ZICUABJOWSWSTN-GPCCPHFNSA-N 1 2 347.242 3.883 20 5 EHBDLO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809986130 1135908945 /nfs/dbraw/zinc/90/89/45/1135908945.db2.gz ZICUABJOWSWSTN-GPCCPHFNSA-N 1 2 347.242 3.883 20 5 EHBDLO Cc1cc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c(C)c[nH+]1 ZINC000813121359 1136294801 /nfs/dbraw/zinc/29/48/01/1136294801.db2.gz KFILKZSOZKCQCW-UHFFFAOYSA-N 1 2 340.166 3.588 20 5 EHBDLO COc1ccc([C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C2CC2)cc1 ZINC000339074617 1137354725 /nfs/dbraw/zinc/35/47/25/1137354725.db2.gz HWSCUZIRHYZHJC-GOSISDBHSA-N 1 2 328.368 3.550 20 5 EHBDLO CCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872024942 1137565695 /nfs/dbraw/zinc/56/56/95/1137565695.db2.gz FPLCVOQYMVWISD-LBPRGKRZSA-N 1 2 345.374 3.933 20 5 EHBDLO COc1ccc([C@H]2C[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])CCO2)cc1 ZINC000879633481 1137753100 /nfs/dbraw/zinc/75/31/00/1137753100.db2.gz IWPNYFUKFUFQLP-AUUYWEPGSA-N 1 2 342.395 3.738 20 5 EHBDLO COc1ccc([C@H]2C[N@H+]([C@H](C)c3ccccc3[N+](=O)[O-])CCO2)cc1 ZINC000879633481 1137753101 /nfs/dbraw/zinc/75/31/01/1137753101.db2.gz IWPNYFUKFUFQLP-AUUYWEPGSA-N 1 2 342.395 3.738 20 5 EHBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccccc1SC ZINC000348303071 1137921693 /nfs/dbraw/zinc/92/16/93/1137921693.db2.gz CMGBBDQGQVPFTE-UHFFFAOYSA-N 1 2 332.425 3.957 20 5 EHBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1ccccc1SC ZINC000348303071 1137921694 /nfs/dbraw/zinc/92/16/94/1137921694.db2.gz CMGBBDQGQVPFTE-UHFFFAOYSA-N 1 2 332.425 3.957 20 5 EHBDLO C[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1cccnc1[N+](=O)[O-] ZINC000885959249 1138028668 /nfs/dbraw/zinc/02/86/68/1138028668.db2.gz WFZWHEYBCNWGEF-UHFFFAOYSA-N 1 2 325.290 3.641 20 5 EHBDLO C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1cccnc1[N+](=O)[O-] ZINC000885959249 1138028671 /nfs/dbraw/zinc/02/86/71/1138028671.db2.gz WFZWHEYBCNWGEF-UHFFFAOYSA-N 1 2 325.290 3.641 20 5 EHBDLO COc1ccc2c(c1)C[C@@H](C)[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]2C ZINC000886122477 1138049014 /nfs/dbraw/zinc/04/90/14/1138049014.db2.gz BQIFTSHVDQJOAV-CHWSQXEVSA-N 1 2 327.384 3.506 20 5 EHBDLO COc1ccc2c(c1)C[C@@H](C)[N@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]2C ZINC000886122477 1138049015 /nfs/dbraw/zinc/04/90/15/1138049015.db2.gz BQIFTSHVDQJOAV-CHWSQXEVSA-N 1 2 327.384 3.506 20 5 EHBDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000337722201 1138652330 /nfs/dbraw/zinc/65/23/30/1138652330.db2.gz WVZDPRPAZNGJMI-ZDUSSCGKSA-N 1 2 349.431 3.674 20 5 EHBDLO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C12CCCCC2 ZINC000339124531 1141503589 /nfs/dbraw/zinc/50/35/89/1141503589.db2.gz MQLOLEOBJBABEF-IAGOWNOFSA-N 1 2 334.416 3.518 20 5 EHBDLO O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000157664503 1015185866 /nfs/dbraw/zinc/18/58/66/1015185866.db2.gz JXQIOPSPWQZALG-AWEZNQCLSA-N 1 2 348.399 3.890 20 5 EHBDLO O=C(c1ccc(F)cc1)[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000157664503 1015185877 /nfs/dbraw/zinc/18/58/77/1015185877.db2.gz JXQIOPSPWQZALG-AWEZNQCLSA-N 1 2 348.399 3.890 20 5 EHBDLO O=[N+]([O-])c1ccc(N2CCC(CCCn3cc[nH+]c3)CC2)c(F)c1 ZINC000782978874 1016935864 /nfs/dbraw/zinc/93/58/64/1016935864.db2.gz LHENYRXCOAWFHC-UHFFFAOYSA-N 1 2 332.379 3.627 20 5 EHBDLO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000449362666 1032498426 /nfs/dbraw/zinc/49/84/26/1032498426.db2.gz LPMGJTLEQBOFRO-HBNTYKKESA-N 1 2 332.322 3.852 20 5 EHBDLO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000449362666 1032498427 /nfs/dbraw/zinc/49/84/27/1032498427.db2.gz LPMGJTLEQBOFRO-HBNTYKKESA-N 1 2 332.322 3.852 20 5 EHBDLO CCC(=O)c1ccc(NC[C@@H]2CCCn3cc(C)[nH+]c32)c([N+](=O)[O-])c1 ZINC000365582479 1017918845 /nfs/dbraw/zinc/91/88/45/1017918845.db2.gz VIRLDDSXALHRRY-AWEZNQCLSA-N 1 2 342.399 3.682 20 5 EHBDLO CC(C)Cn1nccc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000592497825 1032930488 /nfs/dbraw/zinc/93/04/88/1032930488.db2.gz JTOPIYFVWRHBLU-UHFFFAOYSA-N 1 2 328.416 3.612 20 5 EHBDLO CC(C)Cn1nccc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000592497825 1032930505 /nfs/dbraw/zinc/93/05/05/1032930505.db2.gz JTOPIYFVWRHBLU-UHFFFAOYSA-N 1 2 328.416 3.612 20 5 EHBDLO CCC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccn1 ZINC000602538997 1032950215 /nfs/dbraw/zinc/95/02/15/1032950215.db2.gz PBGILMGUOLOACE-CYBMUJFWSA-N 1 2 326.356 3.762 20 5 EHBDLO C[C@@H]1c2ccsc2CC[N@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000023854490 1021091570 /nfs/dbraw/zinc/09/15/70/1021091570.db2.gz BFSGMKKOCLFJPE-LLVKDONJSA-N 1 2 328.397 3.583 20 5 EHBDLO C[C@@H]1c2ccsc2CC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000023854490 1021091576 /nfs/dbraw/zinc/09/15/76/1021091576.db2.gz BFSGMKKOCLFJPE-LLVKDONJSA-N 1 2 328.397 3.583 20 5 EHBDLO Cc1ccccc1OCCC[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505881720 1021239397 /nfs/dbraw/zinc/23/93/97/1021239397.db2.gz QZWFWWRLUWYQPW-UHFFFAOYSA-N 1 2 332.375 3.943 20 5 EHBDLO Cc1ccccc1OCCC[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505881720 1021239409 /nfs/dbraw/zinc/23/94/09/1021239409.db2.gz QZWFWWRLUWYQPW-UHFFFAOYSA-N 1 2 332.375 3.943 20 5 EHBDLO COc1cc2c(cc1F)C[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000537468393 1032998825 /nfs/dbraw/zinc/99/88/25/1032998825.db2.gz XDFXOIVEDMIXAL-UHFFFAOYSA-N 1 2 330.359 3.609 20 5 EHBDLO COc1cc2c(cc1F)C[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000537468393 1032998843 /nfs/dbraw/zinc/99/88/43/1032998843.db2.gz XDFXOIVEDMIXAL-UHFFFAOYSA-N 1 2 330.359 3.609 20 5 EHBDLO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000518991403 1021759334 /nfs/dbraw/zinc/75/93/34/1021759334.db2.gz JGCQMTMRXJTXEI-YJYMSZOUSA-N 1 2 342.395 3.892 20 5 EHBDLO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000518991403 1021759350 /nfs/dbraw/zinc/75/93/50/1021759350.db2.gz JGCQMTMRXJTXEI-YJYMSZOUSA-N 1 2 342.395 3.892 20 5 EHBDLO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[nH]1 ZINC000277063903 1023739532 /nfs/dbraw/zinc/73/95/32/1023739532.db2.gz DKUNCSMVPZQMBA-CYZMBNFOSA-N 1 2 331.420 3.947 20 5 EHBDLO C[C@H]1c2ccsc2CC[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611252936 1024240353 /nfs/dbraw/zinc/24/03/53/1024240353.db2.gz IJQIFFFRYGEIOV-NSHDSACASA-N 1 2 346.408 3.547 20 5 EHBDLO C[C@H]1c2ccsc2CC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611252936 1024240363 /nfs/dbraw/zinc/24/03/63/1024240363.db2.gz IJQIFFFRYGEIOV-NSHDSACASA-N 1 2 346.408 3.547 20 5 EHBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000507855566 1024732800 /nfs/dbraw/zinc/73/28/00/1024732800.db2.gz HUBJYSMRABPHMM-OAHLLOKOSA-N 1 2 334.322 3.659 20 5 EHBDLO O=[N+]([O-])c1cc(Br)ccc1C[NH+]1CCC(CF)CC1 ZINC000425498772 1025491809 /nfs/dbraw/zinc/49/18/09/1025491809.db2.gz YWFQPSQPXNASGJ-UHFFFAOYSA-N 1 2 331.185 3.539 20 5 EHBDLO CO[C@H](C)c1nc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cs1 ZINC000531721641 1027269597 /nfs/dbraw/zinc/26/95/97/1027269597.db2.gz JWCHFAYKRRBHOE-VXGBXAGGSA-N 1 2 335.429 3.918 20 5 EHBDLO Cc1cc(C)c(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c(C)[nH+]1 ZINC000455476634 1028210391 /nfs/dbraw/zinc/21/03/91/1028210391.db2.gz DYQAXADLMPQVJW-UHFFFAOYSA-N 1 2 348.790 3.890 20 5 EHBDLO Cc1cc(C)c(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000455511727 1028289327 /nfs/dbraw/zinc/28/93/27/1028289327.db2.gz HVQKJUUJHBZWQR-UHFFFAOYSA-N 1 2 342.399 3.972 20 5 EHBDLO C[C@@H]1C[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@@H](C)S1 ZINC000159430600 1030190061 /nfs/dbraw/zinc/19/00/61/1030190061.db2.gz OQCZANZHMCCRHP-NXEZZACHSA-N 1 2 345.262 3.683 20 5 EHBDLO CO[C@@H](C)c1nc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cs1 ZINC000278704923 1032056434 /nfs/dbraw/zinc/05/64/34/1032056434.db2.gz LEARDFXIBPOVPC-MEDUHNTESA-N 1 2 347.440 3.926 20 5 EHBDLO CCCOc1ccc([C@@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])cc1OC ZINC000595416577 1033792194 /nfs/dbraw/zinc/79/21/94/1033792194.db2.gz RKDQHWVMUHNVLY-LLVKDONJSA-N 1 2 349.387 3.539 20 5 EHBDLO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H](CO)c1ccc(Cl)cc1 ZINC000595511514 1033836855 /nfs/dbraw/zinc/83/68/55/1033836855.db2.gz SDQUIYOTGKEWTH-MRXNPFEDSA-N 1 2 338.766 3.553 20 5 EHBDLO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H](CO)c1ccc(Cl)cc1 ZINC000595511514 1033836863 /nfs/dbraw/zinc/83/68/63/1033836863.db2.gz SDQUIYOTGKEWTH-MRXNPFEDSA-N 1 2 338.766 3.553 20 5 EHBDLO CCOc1ccc([C@@H](C)Nc2cc(COC)cc[nH+]2)cc1[N+](=O)[O-] ZINC000593724631 1033862683 /nfs/dbraw/zinc/86/26/83/1033862683.db2.gz DSOZCEDXSRGMET-GFCCVEGCSA-N 1 2 331.372 3.708 20 5 EHBDLO CC[N@H+](Cc1cccc(F)c1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000463487114 1035555246 /nfs/dbraw/zinc/55/52/46/1035555246.db2.gz QAMWVRGYIQISQM-UHFFFAOYSA-N 1 2 336.338 3.904 20 5 EHBDLO CC[N@@H+](Cc1cccc(F)c1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000463487114 1035555262 /nfs/dbraw/zinc/55/52/62/1035555262.db2.gz QAMWVRGYIQISQM-UHFFFAOYSA-N 1 2 336.338 3.904 20 5 EHBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c(F)c1 ZINC000595831754 1036714201 /nfs/dbraw/zinc/71/42/01/1036714201.db2.gz RLYNNPWXLFRTOG-CQSZACIVSA-N 1 2 334.322 3.526 20 5 EHBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c(F)c1 ZINC000595831754 1036714221 /nfs/dbraw/zinc/71/42/21/1036714221.db2.gz RLYNNPWXLFRTOG-CQSZACIVSA-N 1 2 334.322 3.526 20 5 EHBDLO O=[N+]([O-])c1c(NCc2cc[nH+]c(N3CCCC3)c2)ccc2ncccc21 ZINC000076581408 1037118677 /nfs/dbraw/zinc/11/86/77/1037118677.db2.gz SBKXYRMWVUGNBI-UHFFFAOYSA-N 1 2 349.394 3.750 20 5 EHBDLO C[C@@H](C[NH2+][C@H](c1ncn[nH]1)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000897460711 1037846964 /nfs/dbraw/zinc/84/69/64/1037846964.db2.gz VCEZSLGTLBEKLY-GUYCJALGSA-N 1 2 343.431 3.728 20 5 EHBDLO C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000246660320 1039074224 /nfs/dbraw/zinc/07/42/24/1039074224.db2.gz IZSMFGNYLJWTIH-UGSOOPFHSA-N 1 2 330.359 3.696 20 5 EHBDLO C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000246660320 1039074265 /nfs/dbraw/zinc/07/42/65/1039074265.db2.gz IZSMFGNYLJWTIH-UGSOOPFHSA-N 1 2 330.359 3.696 20 5 EHBDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000162764000 1041372815 /nfs/dbraw/zinc/37/28/15/1041372815.db2.gz IDSKDQDHBVFNDE-XCVCLJGOSA-N 1 2 334.335 3.637 20 5 EHBDLO Cc1cc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000301624870 1128763212 /nfs/dbraw/zinc/76/32/12/1128763212.db2.gz GDPPDPWABZVCBV-BZNIZROVSA-N 1 2 334.807 3.841 20 5 EHBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cc(Cl)cs2)CC1 ZINC000495050263 1120937968 /nfs/dbraw/zinc/93/79/68/1120937968.db2.gz MCOTWTIREHTIPU-UHFFFAOYSA-N 1 2 337.832 3.632 20 5 EHBDLO Cc1cccc([N+](=O)[O-])c1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000301177423 1122244627 /nfs/dbraw/zinc/24/46/27/1122244627.db2.gz LVZQNUZGWVOUKN-UHFFFAOYSA-N 1 2 326.400 3.901 20 5 EHBDLO Cn1cc(Cl)cc1C[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000154214427 1122374178 /nfs/dbraw/zinc/37/41/78/1122374178.db2.gz ZGVKCLHGTZSSQR-UHFFFAOYSA-N 1 2 328.199 3.872 20 5 EHBDLO Cn1cc(Cl)cc1C[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000154214427 1122374181 /nfs/dbraw/zinc/37/41/81/1122374181.db2.gz ZGVKCLHGTZSSQR-UHFFFAOYSA-N 1 2 328.199 3.872 20 5 EHBDLO CCc1ccc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000081851691 1129448112 /nfs/dbraw/zinc/44/81/12/1129448112.db2.gz NKSIRFBGVKPTQB-UHFFFAOYSA-N 1 2 336.351 3.595 20 5 EHBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117578674 1129452919 /nfs/dbraw/zinc/45/29/19/1129452919.db2.gz XXQRZRLAICTZMP-UHFFFAOYSA-N 1 2 336.351 3.650 20 5 EHBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)Cc1cccs1 ZINC000038407014 1130057204 /nfs/dbraw/zinc/05/72/04/1130057204.db2.gz FNCOQCMPUIROKW-LLVKDONJSA-N 1 2 344.396 3.899 20 5 EHBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)Cc1cccs1 ZINC000038407014 1130057210 /nfs/dbraw/zinc/05/72/10/1130057210.db2.gz FNCOQCMPUIROKW-LLVKDONJSA-N 1 2 344.396 3.899 20 5 EHBDLO COc1cc(C[N@H+]2Cc3ccccc3[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000766106222 1130319718 /nfs/dbraw/zinc/31/97/18/1130319718.db2.gz AMEKOKQSRKLMOM-GFCCVEGCSA-N 1 2 330.359 3.862 20 5 EHBDLO COc1cc(C[N@@H+]2Cc3ccccc3[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000766106222 1130319725 /nfs/dbraw/zinc/31/97/25/1130319725.db2.gz AMEKOKQSRKLMOM-GFCCVEGCSA-N 1 2 330.359 3.862 20 5 EHBDLO CCC(C)(C)CCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000744343161 1132077719 /nfs/dbraw/zinc/07/77/19/1132077719.db2.gz STBMPNPQYVSUJZ-UHFFFAOYSA-N 1 2 331.372 3.764 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCC[C@H]1CC1(O)CCCCC1 ZINC001176061645 1132839063 /nfs/dbraw/zinc/83/90/63/1132839063.db2.gz KWZUMNOFWPOXEY-INIZCTEOSA-N 1 2 348.443 3.740 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCC[C@H]1CC1(O)CCCCC1 ZINC001176061645 1132839072 /nfs/dbraw/zinc/83/90/72/1132839072.db2.gz KWZUMNOFWPOXEY-INIZCTEOSA-N 1 2 348.443 3.740 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000769390545 1133275571 /nfs/dbraw/zinc/27/55/71/1133275571.db2.gz XXMMJNZNICAMCT-UHFFFAOYSA-N 1 2 330.359 3.819 20 5 EHBDLO CCN(CC)c1ccc(Nc2cc(OC)c(OC)cc2[N+](=O)[O-])c[nH+]1 ZINC001184865538 1134000019 /nfs/dbraw/zinc/00/00/19/1134000019.db2.gz QWGOEMYPIQFYPS-UHFFFAOYSA-N 1 2 346.387 3.597 20 5 EHBDLO C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792861317 1134800457 /nfs/dbraw/zinc/80/04/57/1134800457.db2.gz BAMBODFZHXBUMF-LLVKDONJSA-N 1 2 333.319 3.835 20 5 EHBDLO C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792861317 1134800470 /nfs/dbraw/zinc/80/04/70/1134800470.db2.gz BAMBODFZHXBUMF-LLVKDONJSA-N 1 2 333.319 3.835 20 5 EHBDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792876458 1134810167 /nfs/dbraw/zinc/81/01/67/1134810167.db2.gz NEHCLWRWHPRATO-ONGXEEELSA-N 1 2 347.293 3.666 20 5 EHBDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792876458 1134810174 /nfs/dbraw/zinc/81/01/74/1134810174.db2.gz NEHCLWRWHPRATO-ONGXEEELSA-N 1 2 347.293 3.666 20 5 EHBDLO CC(C)(C)OC(=O)c1ccccc1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000865729476 1137307366 /nfs/dbraw/zinc/30/73/66/1137307366.db2.gz JLLINMVPHNFYKK-UHFFFAOYSA-N 1 2 348.424 3.901 20 5 EHBDLO COc1ccc(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])c(OC)c1 ZINC000872025317 1137565641 /nfs/dbraw/zinc/56/56/41/1137565641.db2.gz KKRMLBFESPDUGM-LLVKDONJSA-N 1 2 334.347 3.602 20 5 EHBDLO COc1cccnc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872079139 1137570149 /nfs/dbraw/zinc/57/01/49/1137570149.db2.gz VFRNPXBURBSHFP-NSHDSACASA-N 1 2 333.413 3.571 20 5 EHBDLO COCc1ccc([C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)o1 ZINC000283170119 1141566340 /nfs/dbraw/zinc/56/63/40/1141566340.db2.gz PMDGEEWCJOCMFC-MRXNPFEDSA-N 1 2 334.347 3.810 20 5 EHBDLO COCc1ccc([C@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)o1 ZINC000283170119 1141566343 /nfs/dbraw/zinc/56/63/43/1141566343.db2.gz PMDGEEWCJOCMFC-MRXNPFEDSA-N 1 2 334.347 3.810 20 5 EHBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000078651470 217095703 /nfs/dbraw/zinc/09/57/03/217095703.db2.gz UYWSEMXBQLFIGY-UHFFFAOYSA-N 1 2 349.346 3.963 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC001167050354 1014425702 /nfs/dbraw/zinc/42/57/02/1014425702.db2.gz ZKKQDJOUSFAXSJ-UHFFFAOYSA-N 1 2 344.386 3.894 20 5 EHBDLO Cc1c([C@H](C)[NH2+][C@H]2COc3cc(F)cc(F)c32)cccc1[N+](=O)[O-] ZINC000359868621 1015880117 /nfs/dbraw/zinc/88/01/17/1015880117.db2.gz KPDWLCIEISHINN-HZMBPMFUSA-N 1 2 334.322 3.966 20 5 EHBDLO C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2nccn21 ZINC000449572842 1032828898 /nfs/dbraw/zinc/82/88/98/1032828898.db2.gz OGVWHFRJBXULBM-BLLLJJGKSA-N 1 2 338.367 3.847 20 5 EHBDLO Cc1cc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc[nH+]1 ZINC000126402014 1020646153 /nfs/dbraw/zinc/64/61/53/1020646153.db2.gz CWDLHEDYVOPVDI-UHFFFAOYSA-N 1 2 340.364 3.674 20 5 EHBDLO C[C@H]([NH2+][C@@H](c1nnc[nH]1)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000602517090 1032928463 /nfs/dbraw/zinc/92/84/63/1032928463.db2.gz BWDRUNDZSPLTQW-BLLLJJGKSA-N 1 2 329.404 3.685 20 5 EHBDLO C[C@@H]([NH2+][C@@H](c1nnc[nH]1)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000602517092 1032929376 /nfs/dbraw/zinc/92/93/76/1032929376.db2.gz BWDRUNDZSPLTQW-MLGOLLRUSA-N 1 2 329.404 3.685 20 5 EHBDLO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000441011969 1021926908 /nfs/dbraw/zinc/92/69/08/1021926908.db2.gz DXXYKUDKXAKQAR-SGTLLEGYSA-N 1 2 330.359 3.558 20 5 EHBDLO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000441011969 1021926920 /nfs/dbraw/zinc/92/69/20/1021926920.db2.gz DXXYKUDKXAKQAR-SGTLLEGYSA-N 1 2 330.359 3.558 20 5 EHBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH+]1CC(CC(F)(F)F)C1 ZINC000602688013 1033068730 /nfs/dbraw/zinc/06/87/30/1033068730.db2.gz GRJNLEZBQIUMQT-UHFFFAOYSA-N 1 2 342.239 3.998 20 5 EHBDLO C[C@H]([NH2+]Cc1csc(C(F)(F)F)n1)c1ccc([N+](=O)[O-])cc1 ZINC000894656750 1022673151 /nfs/dbraw/zinc/67/31/51/1022673151.db2.gz FRMFFBPNGKNATJ-QMMMGPOBSA-N 1 2 331.319 3.921 20 5 EHBDLO COc1c(O)ccc(C[N@H+]([C@@H](C)c2ccco2)C2CC2)c1[N+](=O)[O-] ZINC000891802183 1022826701 /nfs/dbraw/zinc/82/67/01/1022826701.db2.gz PMARLZNAPWWAHZ-NSHDSACASA-N 1 2 332.356 3.628 20 5 EHBDLO COc1c(O)ccc(C[N@@H+]([C@@H](C)c2ccco2)C2CC2)c1[N+](=O)[O-] ZINC000891802183 1022826718 /nfs/dbraw/zinc/82/67/18/1022826718.db2.gz PMARLZNAPWWAHZ-NSHDSACASA-N 1 2 332.356 3.628 20 5 EHBDLO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000342124942 1024200777 /nfs/dbraw/zinc/20/07/77/1024200777.db2.gz IJUXIZFAYLTBRX-UHFFFAOYSA-N 1 2 333.338 3.590 20 5 EHBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1NCc1nc(C[NH+](C)C)cs1 ZINC000895480920 1024554227 /nfs/dbraw/zinc/55/42/27/1024554227.db2.gz OUCPDMCFIXMDFU-UHFFFAOYSA-N 1 2 340.836 3.687 20 5 EHBDLO CCn1nc(C)c(C[N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000602927683 1033255594 /nfs/dbraw/zinc/25/55/94/1033255594.db2.gz XZWUUZJEXSPYST-UHFFFAOYSA-N 1 2 336.823 3.713 20 5 EHBDLO CCn1nc(C)c(C[N@@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000602927683 1033255608 /nfs/dbraw/zinc/25/56/08/1033255608.db2.gz XZWUUZJEXSPYST-UHFFFAOYSA-N 1 2 336.823 3.713 20 5 EHBDLO C[C@H](c1cccs1)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000025931401 1026462273 /nfs/dbraw/zinc/46/22/73/1026462273.db2.gz AJXTYZGJDXMQKU-LLVKDONJSA-N 1 2 344.396 3.899 20 5 EHBDLO C[C@H](c1cccs1)[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000025931401 1026462277 /nfs/dbraw/zinc/46/22/77/1026462277.db2.gz AJXTYZGJDXMQKU-LLVKDONJSA-N 1 2 344.396 3.899 20 5 EHBDLO Cc1cc(C)c(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000455493414 1028225173 /nfs/dbraw/zinc/22/51/73/1028225173.db2.gz COIKVOWTKFBLMA-UHFFFAOYSA-N 1 2 342.399 3.621 20 5 EHBDLO COc1cc(COc2cccc(-n3cc[nH+]c3)c2)c([N+](=O)[O-])cc1F ZINC000183968919 1028589830 /nfs/dbraw/zinc/58/98/30/1028589830.db2.gz XULKLGUXSGODDZ-UHFFFAOYSA-N 1 2 343.314 3.507 20 5 EHBDLO C[C@@H](c1ccccc1F)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000052074219 1028657890 /nfs/dbraw/zinc/65/78/90/1028657890.db2.gz RRQMJPWAWAWJMH-LBPRGKRZSA-N 1 2 346.358 3.793 20 5 EHBDLO C[C@@H](c1ccccc1F)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000052074219 1028657898 /nfs/dbraw/zinc/65/78/98/1028657898.db2.gz RRQMJPWAWAWJMH-LBPRGKRZSA-N 1 2 346.358 3.793 20 5 EHBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cscc1Br ZINC000306117337 1029159358 /nfs/dbraw/zinc/15/93/58/1029159358.db2.gz WSIZQUHJIXQHKK-UHFFFAOYSA-N 1 2 327.203 3.709 20 5 EHBDLO Cn1c[nH+]c2cc(Nc3ccc([N+](=O)[O-])c(OC(F)F)c3)ccc21 ZINC000536645476 1029668631 /nfs/dbraw/zinc/66/86/31/1029668631.db2.gz DFXCPQYUNDQAHZ-UHFFFAOYSA-N 1 2 334.282 3.827 20 5 EHBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1cc(-c3ccccc3)no1)C2 ZINC000533803814 1029854808 /nfs/dbraw/zinc/85/48/08/1029854808.db2.gz VNCUSYLKZRTKNT-UHFFFAOYSA-N 1 2 335.363 3.808 20 5 EHBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1cc(-c3ccccc3)no1)C2 ZINC000533803814 1029854816 /nfs/dbraw/zinc/85/48/16/1029854816.db2.gz VNCUSYLKZRTKNT-UHFFFAOYSA-N 1 2 335.363 3.808 20 5 EHBDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000611787938 1030749109 /nfs/dbraw/zinc/74/91/09/1030749109.db2.gz KKCMNEODBHNJGZ-MRXNPFEDSA-N 1 2 334.807 3.627 20 5 EHBDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000611787938 1030749126 /nfs/dbraw/zinc/74/91/26/1030749126.db2.gz KKCMNEODBHNJGZ-MRXNPFEDSA-N 1 2 334.807 3.627 20 5 EHBDLO O=[N+]([O-])c1ccc(-c2ccc(CNc3cc[nH+]cc3F)s2)cc1 ZINC000483835265 1031365339 /nfs/dbraw/zinc/36/53/39/1031365339.db2.gz RMWTWAUZPHOBNR-UHFFFAOYSA-N 1 2 329.356 3.891 20 5 EHBDLO Cc1nc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cs1 ZINC000278669236 1031918197 /nfs/dbraw/zinc/91/81/97/1031918197.db2.gz HDCXJXGZWZPEMK-UHFFFAOYSA-N 1 2 331.319 3.668 20 5 EHBDLO CO[C@@H](C)c1nc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cs1 ZINC000278704931 1032056925 /nfs/dbraw/zinc/05/69/25/1032056925.db2.gz LEARDFXIBPOVPC-ZBEGNZNMSA-N 1 2 347.440 3.926 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](c1ccccc1F)[C@@H](C)O ZINC000595048637 1033665445 /nfs/dbraw/zinc/66/54/45/1033665445.db2.gz XIEBIOYEUDELCO-VNBZBWLYSA-N 1 2 348.374 3.515 20 5 EHBDLO C[C@@H]([NH2+]Cc1occc1Br)c1cccc([N+](=O)[O-])c1 ZINC000227367307 1033955714 /nfs/dbraw/zinc/95/57/14/1033955714.db2.gz POJGMQGAHUUZLQ-SECBINFHSA-N 1 2 325.162 3.801 20 5 EHBDLO O=[N+]([O-])c1cccc2c1ccnc2NCc1cc[nH+]c(N2CCCC2)c1 ZINC000450245184 1033984291 /nfs/dbraw/zinc/98/42/91/1033984291.db2.gz RHOOAWJISPIRPT-UHFFFAOYSA-N 1 2 349.394 3.750 20 5 EHBDLO C[C@H](c1cc(F)ccc1F)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000604082198 1034191432 /nfs/dbraw/zinc/19/14/32/1034191432.db2.gz UOUYMEMNPDKBGZ-CYBMUJFWSA-N 1 2 347.365 3.756 20 5 EHBDLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000056866833 1036591073 /nfs/dbraw/zinc/59/10/73/1036591073.db2.gz VLPWMANISPBVPX-UHFFFAOYSA-N 1 2 347.334 3.514 20 5 EHBDLO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1nnc(C3CC3)s1)CCCC2 ZINC000417330491 1039687429 /nfs/dbraw/zinc/68/74/29/1039687429.db2.gz DWKOTMGRSYVSSI-OAHLLOKOSA-N 1 2 344.440 3.881 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)c(F)c1 ZINC000491195775 1040954061 /nfs/dbraw/zinc/95/40/61/1040954061.db2.gz YZCHHKZQRDORFJ-SFHVURJKSA-N 1 2 344.386 3.915 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)c(F)c1 ZINC000491195775 1040954073 /nfs/dbraw/zinc/95/40/73/1040954073.db2.gz YZCHHKZQRDORFJ-SFHVURJKSA-N 1 2 344.386 3.915 20 5 EHBDLO O=[N+]([O-])c1c(NCCCCNc2cccc[nH+]2)ccc2ncccc21 ZINC000110491322 1041065871 /nfs/dbraw/zinc/06/58/71/1041065871.db2.gz QZWNGWCKFYKUEJ-UHFFFAOYSA-N 1 2 337.383 3.842 20 5 EHBDLO CC[C@@H]1C[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CCS1 ZINC000162903378 1042715884 /nfs/dbraw/zinc/71/58/84/1042715884.db2.gz BQAMLHVGYWAITK-LLVKDONJSA-N 1 2 345.262 3.685 20 5 EHBDLO CC[C@@H]1C[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CCS1 ZINC000162903378 1042715890 /nfs/dbraw/zinc/71/58/90/1042715890.db2.gz BQAMLHVGYWAITK-LLVKDONJSA-N 1 2 345.262 3.685 20 5 EHBDLO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2c(F)cccc2[N+](=O)[O-])o1 ZINC000131298790 1127567008 /nfs/dbraw/zinc/56/70/08/1127567008.db2.gz IWSMVEROTYZCTJ-INIZCTEOSA-N 1 2 334.347 3.810 20 5 EHBDLO COCc1ccc([C@@H]2CCC[N@H+]2Cc2c(F)cccc2[N+](=O)[O-])o1 ZINC000131298790 1127567010 /nfs/dbraw/zinc/56/70/10/1127567010.db2.gz IWSMVEROTYZCTJ-INIZCTEOSA-N 1 2 334.347 3.810 20 5 EHBDLO Cc1ccc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)c([N+](=O)[O-])c1 ZINC000301431797 1127890152 /nfs/dbraw/zinc/89/01/52/1127890152.db2.gz HDBNYKCJUDMGNW-UHFFFAOYSA-N 1 2 326.331 3.840 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000301441561 1127893557 /nfs/dbraw/zinc/89/35/57/1127893557.db2.gz NHJHBLNBRNRTKA-UHFFFAOYSA-N 1 2 326.400 3.901 20 5 EHBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000153249570 1120918226 /nfs/dbraw/zinc/91/82/26/1120918226.db2.gz DQXKFVNCBANZLK-UHFFFAOYSA-N 1 2 327.340 3.668 20 5 EHBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000153249570 1120918230 /nfs/dbraw/zinc/91/82/30/1120918230.db2.gz DQXKFVNCBANZLK-UHFFFAOYSA-N 1 2 327.340 3.668 20 5 EHBDLO O=C(Nc1cccc2cc[nH]c21)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001128250700 1128991870 /nfs/dbraw/zinc/99/18/70/1128991870.db2.gz ZEVXBQOETNJYNR-UHFFFAOYSA-N 1 2 347.334 3.514 20 5 EHBDLO COC(=O)c1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)s1 ZINC000153282537 1121617238 /nfs/dbraw/zinc/61/72/38/1121617238.db2.gz ANYQECFKZAOLEO-UHFFFAOYSA-N 1 2 346.408 3.608 20 5 EHBDLO COC(=O)c1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)s1 ZINC000153282537 1121617240 /nfs/dbraw/zinc/61/72/40/1121617240.db2.gz ANYQECFKZAOLEO-UHFFFAOYSA-N 1 2 346.408 3.608 20 5 EHBDLO O=[N+]([O-])c1ccc(NCCCCNc2cccc[nH+]2)c2ccncc21 ZINC000301153249 1122166920 /nfs/dbraw/zinc/16/69/20/1122166920.db2.gz FDCBYLYGNLYCGB-UHFFFAOYSA-N 1 2 337.383 3.842 20 5 EHBDLO Cc1cccc(N2CC[NH+](Cc3cc(F)ccc3[N+](=O)[O-])CC2)c1C ZINC000916982344 1122429444 /nfs/dbraw/zinc/42/94/44/1122429444.db2.gz DPXFHBFLQIAJQM-UHFFFAOYSA-N 1 2 343.402 3.673 20 5 EHBDLO C[NH+](C)[C@H](CNc1ccsc1[N+](=O)[O-])c1c(F)cccc1F ZINC000609670318 1123639578 /nfs/dbraw/zinc/63/95/78/1123639578.db2.gz QQDZKPAFLJGHSW-GFCCVEGCSA-N 1 2 327.356 3.649 20 5 EHBDLO CCOc1cc(Nc2ccc(N3CCCC3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000301927014 1129362381 /nfs/dbraw/zinc/36/23/81/1129362381.db2.gz JZXGAGSBGHXZGU-UHFFFAOYSA-N 1 2 328.372 3.732 20 5 EHBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000302796852 1129792396 /nfs/dbraw/zinc/79/23/96/1129792396.db2.gz AAWVUJAWRKYFHQ-LBPRGKRZSA-N 1 2 332.791 3.642 20 5 EHBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000246719236 1130406856 /nfs/dbraw/zinc/40/68/56/1130406856.db2.gz LPJNQLNJZUCCJG-UGSOOPFHSA-N 1 2 330.359 3.696 20 5 EHBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000246719236 1130406860 /nfs/dbraw/zinc/40/68/60/1130406860.db2.gz LPJNQLNJZUCCJG-UGSOOPFHSA-N 1 2 330.359 3.696 20 5 EHBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(Oc2ccc(F)c(F)c2)C1 ZINC001173227632 1132007948 /nfs/dbraw/zinc/00/79/48/1132007948.db2.gz RNMWTTJWWJZHNB-GFCCVEGCSA-N 1 2 348.349 3.567 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCC[C@@H]1CC1(O)CCCCC1 ZINC001176061646 1132838828 /nfs/dbraw/zinc/83/88/28/1132838828.db2.gz KWZUMNOFWPOXEY-MRXNPFEDSA-N 1 2 348.443 3.740 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCC[C@@H]1CC1(O)CCCCC1 ZINC001176061646 1132838838 /nfs/dbraw/zinc/83/88/38/1132838838.db2.gz KWZUMNOFWPOXEY-MRXNPFEDSA-N 1 2 348.443 3.740 20 5 EHBDLO CCCC[N@H+](CCOC)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000769390015 1133274761 /nfs/dbraw/zinc/27/47/61/1133274761.db2.gz UBHCYJNAGRUCKP-UHFFFAOYSA-N 1 2 345.237 3.606 20 5 EHBDLO CCCC[N@@H+](CCOC)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000769390015 1133274768 /nfs/dbraw/zinc/27/47/68/1133274768.db2.gz UBHCYJNAGRUCKP-UHFFFAOYSA-N 1 2 345.237 3.606 20 5 EHBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cc3cc(Cl)cnc3o1)CC2 ZINC001180267129 1133352844 /nfs/dbraw/zinc/35/28/44/1133352844.db2.gz OXDDXDOBJYUQHX-UHFFFAOYSA-N 1 2 343.770 3.948 20 5 EHBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cc3cc(Cl)cnc3o1)CC2 ZINC001180267129 1133352851 /nfs/dbraw/zinc/35/28/51/1133352851.db2.gz OXDDXDOBJYUQHX-UHFFFAOYSA-N 1 2 343.770 3.948 20 5 EHBDLO Cc1nn(C)c(Cl)c1C[N@@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000788005202 1134062999 /nfs/dbraw/zinc/06/29/99/1134062999.db2.gz BRUDCWAGLKXRLT-GFCCVEGCSA-N 1 2 336.823 3.792 20 5 EHBDLO Cc1nn(C)c(Cl)c1C[N@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000788005202 1134063006 /nfs/dbraw/zinc/06/30/06/1134063006.db2.gz BRUDCWAGLKXRLT-GFCCVEGCSA-N 1 2 336.823 3.792 20 5 EHBDLO CC1(C)CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000159430182 1135397835 /nfs/dbraw/zinc/39/78/35/1135397835.db2.gz KUIGKBSRQSNXFV-UHFFFAOYSA-N 1 2 327.222 3.979 20 5 EHBDLO CC1(C)CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000159430182 1135397844 /nfs/dbraw/zinc/39/78/44/1135397844.db2.gz KUIGKBSRQSNXFV-UHFFFAOYSA-N 1 2 327.222 3.979 20 5 EHBDLO C[C@@H](CN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)(C)C ZINC001133247758 1136194678 /nfs/dbraw/zinc/19/46/78/1136194678.db2.gz QZZRCYCAIZRBMH-ZDUSSCGKSA-N 1 2 344.415 3.535 20 5 EHBDLO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)C(F)=C1CCCC1 ZINC000816093075 1136672085 /nfs/dbraw/zinc/67/20/85/1136672085.db2.gz ZVAOOAZJPDCJJG-INIZCTEOSA-N 1 2 348.374 3.510 20 5 EHBDLO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)C(F)=C1CCCC1 ZINC000816093075 1136672088 /nfs/dbraw/zinc/67/20/88/1136672088.db2.gz ZVAOOAZJPDCJJG-INIZCTEOSA-N 1 2 348.374 3.510 20 5 EHBDLO CC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccncc1 ZINC000348130084 1137444164 /nfs/dbraw/zinc/44/41/64/1137444164.db2.gz ULGXJINRWLKFBB-UHFFFAOYSA-N 1 2 338.367 3.667 20 5 EHBDLO CC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccncc1 ZINC000348130084 1137444165 /nfs/dbraw/zinc/44/41/65/1137444165.db2.gz ULGXJINRWLKFBB-UHFFFAOYSA-N 1 2 338.367 3.667 20 5 EHBDLO C[C@H]([NH2+]Cc1cccnc1N1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872085598 1137570525 /nfs/dbraw/zinc/57/05/25/1137570525.db2.gz PXPYGADNWPQYEZ-ZDUSSCGKSA-N 1 2 344.390 3.580 20 5 EHBDLO Cc1nonc1C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000872134986 1137573651 /nfs/dbraw/zinc/57/36/51/1137573651.db2.gz AZSNWLKPSJFEEX-NSHDSACASA-N 1 2 344.396 3.866 20 5 EHBDLO COc1ccc([C@@H]2C[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])CCO2)cc1 ZINC000879633602 1137753078 /nfs/dbraw/zinc/75/30/78/1137753078.db2.gz IWPNYFUKFUFQLP-KUHUBIRLSA-N 1 2 342.395 3.738 20 5 EHBDLO COc1ccc([C@@H]2C[N@H+]([C@H](C)c3ccccc3[N+](=O)[O-])CCO2)cc1 ZINC000879633602 1137753079 /nfs/dbraw/zinc/75/30/79/1137753079.db2.gz IWPNYFUKFUFQLP-KUHUBIRLSA-N 1 2 342.395 3.738 20 5 EHBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000117352062 1137929959 /nfs/dbraw/zinc/92/99/59/1137929959.db2.gz ZNHUTLBGCFJFEW-UHFFFAOYSA-N 1 2 342.239 3.912 20 5 EHBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000117352062 1137929960 /nfs/dbraw/zinc/92/99/60/1137929960.db2.gz ZNHUTLBGCFJFEW-UHFFFAOYSA-N 1 2 342.239 3.912 20 5 EHBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](c1nc(C)cs1)C1CC1 ZINC000183499174 1140043030 /nfs/dbraw/zinc/04/30/30/1140043030.db2.gz PCFDZPQANCHLQL-HNNXBMFYSA-N 1 2 333.413 3.609 20 5 EHBDLO COc1cc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1F ZINC000184225020 1140088107 /nfs/dbraw/zinc/08/81/07/1140088107.db2.gz HERKUGNWXPGBFC-JTQLQIEISA-N 1 2 336.285 3.517 20 5 EHBDLO COc1cc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1F ZINC000184225020 1140088110 /nfs/dbraw/zinc/08/81/10/1140088110.db2.gz HERKUGNWXPGBFC-JTQLQIEISA-N 1 2 336.285 3.517 20 5 EHBDLO COc1cc(C[NH2+][C@@H](C)c2cccc(F)c2F)c([N+](=O)[O-])cc1F ZINC000184311928 1140095014 /nfs/dbraw/zinc/09/50/14/1140095014.db2.gz NWTNCLVPXBKDGQ-VIFPVBQESA-N 1 2 340.301 3.872 20 5 EHBDLO CC[C@@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000184404659 1140100833 /nfs/dbraw/zinc/10/08/33/1140100833.db2.gz GAYIBOWTLKUOBL-GFCCVEGCSA-N 1 2 339.392 3.748 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2cccs2)C2CC2)c([N+](=O)[O-])c1 ZINC000193684343 1140583782 /nfs/dbraw/zinc/58/37/82/1140583782.db2.gz KIQBZKFCXXRCAW-UHFFFAOYSA-N 1 2 333.369 3.729 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cccs2)C2CC2)c([N+](=O)[O-])c1 ZINC000193684343 1140583787 /nfs/dbraw/zinc/58/37/87/1140583787.db2.gz KIQBZKFCXXRCAW-UHFFFAOYSA-N 1 2 333.369 3.729 20 5 EHBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCCc4cn[nH]c43)o2)cc1 ZINC000268883850 1141017880 /nfs/dbraw/zinc/01/78/80/1141017880.db2.gz YMBNAKKVYCNFFY-MRXNPFEDSA-N 1 2 338.367 3.745 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000086235246 1019085247 /nfs/dbraw/zinc/08/52/47/1019085247.db2.gz CSPJDDQNDHRQQB-CYBMUJFWSA-N 1 2 343.383 3.660 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000086235246 1019085263 /nfs/dbraw/zinc/08/52/63/1019085263.db2.gz CSPJDDQNDHRQQB-CYBMUJFWSA-N 1 2 343.383 3.660 20 5 EHBDLO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c2nccn21 ZINC000449573818 1032833138 /nfs/dbraw/zinc/83/31/38/1032833138.db2.gz SFJUYSIDOOCNNL-MLGOLLRUSA-N 1 2 338.367 3.847 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1 ZINC000182622626 1019715825 /nfs/dbraw/zinc/71/58/25/1019715825.db2.gz LBRFYZVMPXEIGU-CQSZACIVSA-N 1 2 327.384 3.535 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000182622626 1019715846 /nfs/dbraw/zinc/71/58/46/1019715846.db2.gz LBRFYZVMPXEIGU-CQSZACIVSA-N 1 2 327.384 3.535 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000182852118 1019770739 /nfs/dbraw/zinc/77/07/39/1019770739.db2.gz VHIIBYXUZVRMRD-KUHUBIRLSA-N 1 2 342.395 3.743 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000182852118 1019770758 /nfs/dbraw/zinc/77/07/58/1019770758.db2.gz VHIIBYXUZVRMRD-KUHUBIRLSA-N 1 2 342.395 3.743 20 5 EHBDLO Cc1cccn2cc(CCNc3ccc([N+](=O)[O-])cc3Cl)[nH+]c12 ZINC000610468797 1020275861 /nfs/dbraw/zinc/27/58/61/1020275861.db2.gz AKYKACGZMXUDPN-UHFFFAOYSA-N 1 2 330.775 3.859 20 5 EHBDLO CCc1cnc(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000602563851 1032975632 /nfs/dbraw/zinc/97/56/32/1032975632.db2.gz PKPCYGUBPAIQPJ-UHFFFAOYSA-N 1 2 345.346 3.922 20 5 EHBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000437576253 1021962371 /nfs/dbraw/zinc/96/23/71/1021962371.db2.gz HPEAITRIBKOVNW-KBXCAEBGSA-N 1 2 339.395 3.677 20 5 EHBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000437576253 1021962379 /nfs/dbraw/zinc/96/23/79/1021962379.db2.gz HPEAITRIBKOVNW-KBXCAEBGSA-N 1 2 339.395 3.677 20 5 EHBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccnn2C2CCC2)C2CC2)c1 ZINC000891623949 1022140498 /nfs/dbraw/zinc/14/04/98/1022140498.db2.gz SSOPODWBSPPTMB-UHFFFAOYSA-N 1 2 326.400 3.681 20 5 EHBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccnn2C2CCC2)C2CC2)c1 ZINC000891623949 1022140511 /nfs/dbraw/zinc/14/05/11/1022140511.db2.gz SSOPODWBSPPTMB-UHFFFAOYSA-N 1 2 326.400 3.681 20 5 EHBDLO C[C@@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)c2ccccc2O1 ZINC000602679234 1033080238 /nfs/dbraw/zinc/08/02/38/1033080238.db2.gz PZKOWINQINKXJI-BXUZGUMPSA-N 1 2 339.351 3.738 20 5 EHBDLO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[NH+](C3CC3)CC2)s1 ZINC000506434926 1023133523 /nfs/dbraw/zinc/13/35/23/1023133523.db2.gz YBFMYLKTYKCGOO-UHFFFAOYSA-N 1 2 343.452 3.603 20 5 EHBDLO Cn1cc(C[N@@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)c([N+](=O)[O-])n1 ZINC000602793024 1033167643 /nfs/dbraw/zinc/16/76/43/1033167643.db2.gz UUPRQENBBHHBGG-QGZVFWFLSA-N 1 2 339.399 3.537 20 5 EHBDLO Cn1cc(C[N@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)c([N+](=O)[O-])n1 ZINC000602793024 1033167652 /nfs/dbraw/zinc/16/76/52/1033167652.db2.gz UUPRQENBBHHBGG-QGZVFWFLSA-N 1 2 339.399 3.537 20 5 EHBDLO O=[N+]([O-])c1cnc(NC2CCC(Nc3cccc[nH+]3)CC2)c(Cl)c1 ZINC000346108577 1024406466 /nfs/dbraw/zinc/40/64/66/1024406466.db2.gz XGVZLAWNKOMKJN-UHFFFAOYSA-N 1 2 347.806 3.873 20 5 EHBDLO CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505581671 1024533120 /nfs/dbraw/zinc/53/31/20/1024533120.db2.gz KEWCDMLNLKPWCR-UHFFFAOYSA-N 1 2 348.374 3.773 20 5 EHBDLO CC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505581671 1024533128 /nfs/dbraw/zinc/53/31/28/1024533128.db2.gz KEWCDMLNLKPWCR-UHFFFAOYSA-N 1 2 348.374 3.773 20 5 EHBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000507855564 1024732738 /nfs/dbraw/zinc/73/27/38/1024732738.db2.gz HUBJYSMRABPHMM-HNNXBMFYSA-N 1 2 334.322 3.659 20 5 EHBDLO CC(C)[N@H+](Cc1cc(C(F)(F)F)n[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC000442800195 1025494002 /nfs/dbraw/zinc/49/40/02/1025494002.db2.gz LSSXELCUDMFRAW-UHFFFAOYSA-N 1 2 342.321 3.747 20 5 EHBDLO CC(C)[N@@H+](Cc1cc(C(F)(F)F)n[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC000442800195 1025494009 /nfs/dbraw/zinc/49/40/09/1025494009.db2.gz LSSXELCUDMFRAW-UHFFFAOYSA-N 1 2 342.321 3.747 20 5 EHBDLO C[C@H](CNc1c(Cl)cc(Cl)cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000347076823 1025497508 /nfs/dbraw/zinc/49/75/08/1025497508.db2.gz CNXXBGYVGNJTQC-SECBINFHSA-N 1 2 329.187 3.846 20 5 EHBDLO Cn1c[nH+]c2cc(Nc3cc(C(F)(F)F)ncc3[N+](=O)[O-])ccc21 ZINC000436401873 1025684984 /nfs/dbraw/zinc/68/49/84/1025684984.db2.gz YFCIAQXJBORHEQ-UHFFFAOYSA-N 1 2 337.261 3.639 20 5 EHBDLO CCn1c[nH+]c2c1CCN(c1ccc([N+](=O)[O-])c(OC(C)(C)C)c1)C2 ZINC000896660593 1025799431 /nfs/dbraw/zinc/79/94/31/1025799431.db2.gz RIURTXQZOCSPNB-UHFFFAOYSA-N 1 2 344.415 3.551 20 5 EHBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@](F)(c4ccccc4)C3)nc2c1 ZINC000516196545 1026107894 /nfs/dbraw/zinc/10/78/94/1026107894.db2.gz ZJZBRQXAPFXRLM-GOSISDBHSA-N 1 2 341.342 3.807 20 5 EHBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@](F)(c4ccccc4)C3)nc2c1 ZINC000516196545 1026107903 /nfs/dbraw/zinc/10/79/03/1026107903.db2.gz ZJZBRQXAPFXRLM-GOSISDBHSA-N 1 2 341.342 3.807 20 5 EHBDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000366575637 1027446398 /nfs/dbraw/zinc/44/63/98/1027446398.db2.gz LZQPPNPHNOKFRU-UHFFFAOYSA-N 1 2 336.351 3.854 20 5 EHBDLO Cc1cc(C)c2c(c1)C[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)CC2 ZINC000444690755 1028164410 /nfs/dbraw/zinc/16/44/10/1028164410.db2.gz VCHXDVBVXVJYLR-UHFFFAOYSA-N 1 2 336.395 3.646 20 5 EHBDLO Cc1cc(C)c2c(c1)C[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)CC2 ZINC000444690755 1028164419 /nfs/dbraw/zinc/16/44/19/1028164419.db2.gz VCHXDVBVXVJYLR-UHFFFAOYSA-N 1 2 336.395 3.646 20 5 EHBDLO Cc1cc(C)c(NC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000455496479 1028230378 /nfs/dbraw/zinc/23/03/78/1028230378.db2.gz OXFQODQLUXUBGE-LBPRGKRZSA-N 1 2 328.372 3.798 20 5 EHBDLO COc1ccc2cc(C[N@H+](C)Cc3onc(C)c3[N+](=O)[O-])ccc2c1 ZINC000595290790 1033718682 /nfs/dbraw/zinc/71/86/82/1033718682.db2.gz ZEXQCJMKYKPKSE-UHFFFAOYSA-N 1 2 341.367 3.685 20 5 EHBDLO COc1ccc2cc(C[N@@H+](C)Cc3onc(C)c3[N+](=O)[O-])ccc2c1 ZINC000595290790 1033718693 /nfs/dbraw/zinc/71/86/93/1033718693.db2.gz ZEXQCJMKYKPKSE-UHFFFAOYSA-N 1 2 341.367 3.685 20 5 EHBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]([C@@H](C)c2ccco2)C2CC2)c1 ZINC000593023700 1033827305 /nfs/dbraw/zinc/82/73/05/1033827305.db2.gz XVISKAUYMAYJQJ-LBPRGKRZSA-N 1 2 344.367 3.700 20 5 EHBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]([C@@H](C)c2ccco2)C2CC2)c1 ZINC000593023700 1033827315 /nfs/dbraw/zinc/82/73/15/1033827315.db2.gz XVISKAUYMAYJQJ-LBPRGKRZSA-N 1 2 344.367 3.700 20 5 EHBDLO Cc1[nH]c(-c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)[nH+]c1C ZINC000364516970 1034675773 /nfs/dbraw/zinc/67/57/73/1034675773.db2.gz PAVBBQZYSUTTPQ-UHFFFAOYSA-N 1 2 336.351 3.854 20 5 EHBDLO CC(C)([NH2+]Cc1nc2c(s1)CCCC2)c1ccccc1[N+](=O)[O-] ZINC000589939755 1036686646 /nfs/dbraw/zinc/68/66/46/1036686646.db2.gz WYBUAGVTBORDHD-UHFFFAOYSA-N 1 2 331.441 3.955 20 5 EHBDLO O=[N+]([O-])c1cc(F)c(COc2cccc(-n3cc[nH+]c3)c2)c(F)c1 ZINC000590587147 1036960519 /nfs/dbraw/zinc/96/05/19/1036960519.db2.gz IHWQRMDGGLFGAC-UHFFFAOYSA-N 1 2 331.278 3.638 20 5 EHBDLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000058383711 1037884329 /nfs/dbraw/zinc/88/43/29/1037884329.db2.gz DRQRYWXXHYZILW-UHFFFAOYSA-N 1 2 347.334 3.514 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@H+](Cc2cccs2)C2CC2)c2c(c1)COCO2 ZINC000027107734 1039897943 /nfs/dbraw/zinc/89/79/43/1039897943.db2.gz VMTGQRQTYLUNLM-UHFFFAOYSA-N 1 2 346.408 3.687 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@@H+](Cc2cccs2)C2CC2)c2c(c1)COCO2 ZINC000027107734 1039897961 /nfs/dbraw/zinc/89/79/61/1039897961.db2.gz VMTGQRQTYLUNLM-UHFFFAOYSA-N 1 2 346.408 3.687 20 5 EHBDLO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)Cc1ccc(OC)cc1OC ZINC000491152198 1040947384 /nfs/dbraw/zinc/94/73/84/1040947384.db2.gz ZDPHFNOZDWHOHX-UHFFFAOYSA-N 1 2 348.374 3.773 20 5 EHBDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)Cc1ccc(OC)cc1OC ZINC000491152198 1040947406 /nfs/dbraw/zinc/94/74/06/1040947406.db2.gz ZDPHFNOZDWHOHX-UHFFFAOYSA-N 1 2 348.374 3.773 20 5 EHBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nc(-c3ccsc3)no2)cc1[N+](=O)[O-] ZINC000181816452 1042401231 /nfs/dbraw/zinc/40/12/31/1042401231.db2.gz SOPKNECQXUSXGX-LLVKDONJSA-N 1 2 344.396 3.866 20 5 EHBDLO COc1cc(C[NH2+][C@H](COCC(C)C)c2ccco2)ccc1[N+](=O)[O-] ZINC000347633266 1128482850 /nfs/dbraw/zinc/48/28/50/1128482850.db2.gz HYMADDMIYBTTSH-OAHLLOKOSA-N 1 2 348.399 3.700 20 5 EHBDLO O=[N+]([O-])c1cc(F)c(NCc2ccc(-n3cc[nH+]c3)cc2)c(F)c1 ZINC000301772165 1129063872 /nfs/dbraw/zinc/06/38/72/1129063872.db2.gz GCEDEISMJSCUED-UHFFFAOYSA-N 1 2 330.294 3.671 20 5 EHBDLO O=C(O[C@H]1CCc2ccccc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000917521694 1122620676 /nfs/dbraw/zinc/62/06/76/1122620676.db2.gz QEHZISMHPGSQGD-SFHVURJKSA-N 1 2 349.346 3.625 20 5 EHBDLO O=C(O[C@@H]1CCc2ccccc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000917521693 1122620720 /nfs/dbraw/zinc/62/07/20/1122620720.db2.gz QEHZISMHPGSQGD-GOSISDBHSA-N 1 2 349.346 3.625 20 5 EHBDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000617462209 1124561117 /nfs/dbraw/zinc/56/11/17/1124561117.db2.gz AUEOEMWFIHTFFW-GFCCVEGCSA-N 1 2 335.404 3.679 20 5 EHBDLO CC(C)c1[nH+]c2c(n1C)CCN(Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000116278915 1129348907 /nfs/dbraw/zinc/34/89/07/1129348907.db2.gz JEICFZCAUXWQKN-UHFFFAOYSA-N 1 2 348.834 3.663 20 5 EHBDLO Cc1cccn2c(CN(Cc3ccccc3[N+](=O)[O-])C3CC3)c[nH+]c12 ZINC000154313462 1129549389 /nfs/dbraw/zinc/54/93/89/1129549389.db2.gz FDSLJAVHEKBVML-UHFFFAOYSA-N 1 2 336.395 3.716 20 5 EHBDLO Cc1cccn2c(C[N@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)cnc12 ZINC000154313462 1129549392 /nfs/dbraw/zinc/54/93/92/1129549392.db2.gz FDSLJAVHEKBVML-UHFFFAOYSA-N 1 2 336.395 3.716 20 5 EHBDLO Cc1cccn2c(C[N@@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)cnc12 ZINC000154313462 1129549395 /nfs/dbraw/zinc/54/93/95/1129549395.db2.gz FDSLJAVHEKBVML-UHFFFAOYSA-N 1 2 336.395 3.716 20 5 EHBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000810093371 1135920345 /nfs/dbraw/zinc/92/03/45/1135920345.db2.gz NHOHCOODRRVCHO-CVEARBPZSA-N 1 2 336.819 3.782 20 5 EHBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000810093371 1135920350 /nfs/dbraw/zinc/92/03/50/1135920350.db2.gz NHOHCOODRRVCHO-CVEARBPZSA-N 1 2 336.819 3.782 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCn2c(Cl)ccc2[C@H]1C ZINC000794435484 1135952157 /nfs/dbraw/zinc/95/21/57/1135952157.db2.gz ORAYLFPISRUJBA-LLVKDONJSA-N 1 2 335.791 3.635 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCn2c(Cl)ccc2[C@H]1C ZINC000794435484 1135952159 /nfs/dbraw/zinc/95/21/59/1135952159.db2.gz ORAYLFPISRUJBA-LLVKDONJSA-N 1 2 335.791 3.635 20 5 EHBDLO O=[N+]([O-])c1cc(-c2nc(-c3cccs3)no2)ccc1-n1cc[nH+]c1 ZINC000109460778 1136296334 /nfs/dbraw/zinc/29/63/34/1136296334.db2.gz BUMUMHPQTPCBNA-UHFFFAOYSA-N 1 2 339.336 3.559 20 5 EHBDLO Cc1noc(C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)c1[N+](=O)[O-] ZINC000851906648 1136418121 /nfs/dbraw/zinc/41/81/21/1136418121.db2.gz PIGCYBMEJXSRGY-MRVPVSSYSA-N 1 2 345.277 3.641 20 5 EHBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1NCCc1cn2ccccc2[nH+]1 ZINC000820616673 1136998347 /nfs/dbraw/zinc/99/83/47/1136998347.db2.gz NMARCWMSGNSVLR-UHFFFAOYSA-N 1 2 334.738 3.690 20 5 EHBDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000339071165 1137248508 /nfs/dbraw/zinc/24/85/08/1137248508.db2.gz RRBYLCFJHKPGCA-SNVBAGLBSA-N 1 2 338.310 3.753 20 5 EHBDLO C[C@H]([NH2+][C@H](CCO)c1ccccc1F)c1c(F)cccc1[N+](=O)[O-] ZINC000872080783 1137570261 /nfs/dbraw/zinc/57/02/61/1137570261.db2.gz BUEZRCUWYAUWIY-XHDPSFHLSA-N 1 2 336.338 3.647 20 5 EHBDLO O=[N+]([O-])c1ccc2oc(CNc3ccc([NH+]4CCCC4)cc3)nc2c1 ZINC000876819558 1137662531 /nfs/dbraw/zinc/66/25/31/1137662531.db2.gz CQXVJIKEWLIIQR-UHFFFAOYSA-N 1 2 338.367 3.948 20 5 EHBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@H](O)C[C@H]2c2ccccc2)c1 ZINC000877674955 1137685438 /nfs/dbraw/zinc/68/54/38/1137685438.db2.gz YCHUWRWITYDSGB-AEFFLSMTSA-N 1 2 346.814 3.946 20 5 EHBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@H](O)C[C@H]2c2ccccc2)c1 ZINC000877674955 1137685439 /nfs/dbraw/zinc/68/54/39/1137685439.db2.gz YCHUWRWITYDSGB-AEFFLSMTSA-N 1 2 346.814 3.946 20 5 EHBDLO CC(C)[N@H+](Cc1ccco1)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878001900 1137698995 /nfs/dbraw/zinc/69/89/95/1137698995.db2.gz GMSXPSYYVQDKKT-UHFFFAOYSA-N 1 2 342.355 3.648 20 5 EHBDLO CC(C)[N@@H+](Cc1ccco1)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878001900 1137698996 /nfs/dbraw/zinc/69/89/96/1137698996.db2.gz GMSXPSYYVQDKKT-UHFFFAOYSA-N 1 2 342.355 3.648 20 5 EHBDLO Cc1[nH]c2ccc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)cc2[nH+]1 ZINC000348417461 1138286535 /nfs/dbraw/zinc/28/65/35/1138286535.db2.gz UNOCOECUNATBKM-VIFPVBQESA-N 1 2 342.330 3.661 20 5 EHBDLO COc1cc(NCc2cc[nH+]c(N3CCCCC3)c2)ccc1[N+](=O)[O-] ZINC000266464531 1140690895 /nfs/dbraw/zinc/69/08/95/1140690895.db2.gz ZGNBMSZHUOSTCH-UHFFFAOYSA-N 1 2 342.399 3.601 20 5 EHBDLO CCOc1cccc(NCc2cc[nH+]c(N3CCCC3)c2)c1[N+](=O)[O-] ZINC000273886422 1141439785 /nfs/dbraw/zinc/43/97/85/1141439785.db2.gz SFNJTOLHAGLJPQ-UHFFFAOYSA-N 1 2 342.399 3.601 20 5 EHBDLO COc1ccc(C[NH2+]Cc2c(F)cc(C)cc2Cl)cc1[N+](=O)[O-] ZINC000459394016 1032058765 /nfs/dbraw/zinc/05/87/65/1032058765.db2.gz ZBSVKIYAXXRBHB-UHFFFAOYSA-N 1 2 338.766 3.994 20 5 EHBDLO COc1ccccc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000430212967 1015014092 /nfs/dbraw/zinc/01/40/92/1015014092.db2.gz RQRDFSPFCVWFKR-UHFFFAOYSA-N 1 2 342.395 3.777 20 5 EHBDLO COc1ccccc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000430212967 1015014107 /nfs/dbraw/zinc/01/41/07/1015014107.db2.gz RQRDFSPFCVWFKR-UHFFFAOYSA-N 1 2 342.395 3.777 20 5 EHBDLO Cc1nc(N2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)sc1C ZINC000157543122 1015075746 /nfs/dbraw/zinc/07/57/46/1015075746.db2.gz MOUPPGYSXSBVQD-CYBMUJFWSA-N 1 2 346.456 3.551 20 5 EHBDLO O=[N+]([O-])c1cnc(NCc2cc[nH+]c(N3CCCCC3)c2)c(Cl)c1 ZINC000301264013 1125500356 /nfs/dbraw/zinc/50/03/56/1125500356.db2.gz GZUPFVPEBPOMQP-UHFFFAOYSA-N 1 2 347.806 3.641 20 5 EHBDLO C[NH+](C)[C@@H](CNc1ccsc1[N+](=O)[O-])c1c(F)cccc1F ZINC000609670320 1015827579 /nfs/dbraw/zinc/82/75/79/1015827579.db2.gz QQDZKPAFLJGHSW-LBPRGKRZSA-N 1 2 327.356 3.649 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCCC3(CC3)C2)ccc1Br ZINC000695138745 1017042784 /nfs/dbraw/zinc/04/27/84/1017042784.db2.gz MJPQEOQHLDOUNX-UHFFFAOYSA-N 1 2 325.206 3.733 20 5 EHBDLO O=[N+]([O-])c1cc(C[N@H+]2CCCC3(CC3)C2)ccc1Br ZINC000695138745 1017042797 /nfs/dbraw/zinc/04/27/97/1017042797.db2.gz MJPQEOQHLDOUNX-UHFFFAOYSA-N 1 2 325.206 3.733 20 5 EHBDLO Cc1csc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC000892855814 1017594117 /nfs/dbraw/zinc/59/41/17/1017594117.db2.gz LAMAZVWOUSVVSW-VIFPVBQESA-N 1 2 343.355 3.812 20 5 EHBDLO C[C@H](c1ccccc1F)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000052074220 1018724789 /nfs/dbraw/zinc/72/47/89/1018724789.db2.gz RRQMJPWAWAWJMH-GFCCVEGCSA-N 1 2 346.358 3.793 20 5 EHBDLO C[C@H](c1ccccc1F)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000052074220 1018724795 /nfs/dbraw/zinc/72/47/95/1018724795.db2.gz RRQMJPWAWAWJMH-GFCCVEGCSA-N 1 2 346.358 3.793 20 5 EHBDLO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)cc1[N+](=O)[O-] ZINC000167958558 1019068207 /nfs/dbraw/zinc/06/82/07/1019068207.db2.gz LZZMVBAYGLEORF-UKRRQHHQSA-N 1 2 343.431 3.804 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000182852138 1019769506 /nfs/dbraw/zinc/76/95/06/1019769506.db2.gz VHIIBYXUZVRMRD-LIRRHRJNSA-N 1 2 342.395 3.743 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000182852138 1019769524 /nfs/dbraw/zinc/76/95/24/1019769524.db2.gz VHIIBYXUZVRMRD-LIRRHRJNSA-N 1 2 342.395 3.743 20 5 EHBDLO CC(C)CCC[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000033243820 1020920644 /nfs/dbraw/zinc/92/06/44/1020920644.db2.gz PNAWIZGIADJENP-CQSZACIVSA-N 1 2 344.415 3.725 20 5 EHBDLO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H](c2ccc(F)cc2)O1 ZINC000126664103 1021162466 /nfs/dbraw/zinc/16/24/66/1021162466.db2.gz QVRIKYISBNAMNH-FZKQIMNGSA-N 1 2 330.359 3.696 20 5 EHBDLO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H](c2ccc(F)cc2)O1 ZINC000126664103 1021162471 /nfs/dbraw/zinc/16/24/71/1021162471.db2.gz QVRIKYISBNAMNH-FZKQIMNGSA-N 1 2 330.359 3.696 20 5 EHBDLO C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000543859144 1021545459 /nfs/dbraw/zinc/54/54/59/1021545459.db2.gz KZXVSWMASQAFOK-UHFFFAOYSA-N 1 2 348.786 3.651 20 5 EHBDLO C[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000543859144 1021545476 /nfs/dbraw/zinc/54/54/76/1021545476.db2.gz KZXVSWMASQAFOK-UHFFFAOYSA-N 1 2 348.786 3.651 20 5 EHBDLO C[C@H]1C[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H](C)S1 ZINC000519521049 1022229558 /nfs/dbraw/zinc/22/95/58/1022229558.db2.gz JMWDYEAYRAJGPX-UWVGGRQHSA-N 1 2 334.363 3.939 20 5 EHBDLO CSc1ccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000581916018 1022379823 /nfs/dbraw/zinc/37/98/23/1022379823.db2.gz DVEBMFVUPAKJCL-UHFFFAOYSA-N 1 2 349.481 3.700 20 5 EHBDLO C[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000617696650 1022741274 /nfs/dbraw/zinc/74/12/74/1022741274.db2.gz KLWBFZRSVYGVAR-CYBMUJFWSA-N 1 2 336.351 3.523 20 5 EHBDLO C[N@H+](Cc1cnc(-c2ccncc2)s1)Cc1ccccc1[N+](=O)[O-] ZINC000507167649 1023159675 /nfs/dbraw/zinc/15/96/75/1023159675.db2.gz NFPZQOGYPUPMIU-UHFFFAOYSA-N 1 2 340.408 3.745 20 5 EHBDLO C[N@@H+](Cc1cnc(-c2ccncc2)s1)Cc1ccccc1[N+](=O)[O-] ZINC000507167649 1023159682 /nfs/dbraw/zinc/15/96/82/1023159682.db2.gz NFPZQOGYPUPMIU-UHFFFAOYSA-N 1 2 340.408 3.745 20 5 EHBDLO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602767288 1033164758 /nfs/dbraw/zinc/16/47/58/1033164758.db2.gz CYJKKSJIWPYAMY-JTQLQIEISA-N 1 2 342.321 3.540 20 5 EHBDLO C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602767288 1033164767 /nfs/dbraw/zinc/16/47/67/1033164767.db2.gz CYJKKSJIWPYAMY-JTQLQIEISA-N 1 2 342.321 3.540 20 5 EHBDLO CC(C)c1ccc(C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000520600161 1024210484 /nfs/dbraw/zinc/21/04/84/1024210484.db2.gz GMWQQZNNNBJHNE-MOPGFXCFSA-N 1 2 330.428 3.862 20 5 EHBDLO CC(C)c1ccc(C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000520600161 1024210499 /nfs/dbraw/zinc/21/04/99/1024210499.db2.gz GMWQQZNNNBJHNE-MOPGFXCFSA-N 1 2 330.428 3.862 20 5 EHBDLO CC(C)c1ccc(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000520600164 1024211911 /nfs/dbraw/zinc/21/19/11/1024211911.db2.gz GMWQQZNNNBJHNE-RTBURBONSA-N 1 2 330.428 3.862 20 5 EHBDLO CC(C)c1ccc(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000520600164 1024211927 /nfs/dbraw/zinc/21/19/27/1024211927.db2.gz GMWQQZNNNBJHNE-RTBURBONSA-N 1 2 330.428 3.862 20 5 EHBDLO Cc1cc(NC2CCC(Nc3cccc[nH+]3)CC2)ncc1[N+](=O)[O-] ZINC000346102882 1024404833 /nfs/dbraw/zinc/40/48/33/1024404833.db2.gz NRZZDOMDGSVCPK-UHFFFAOYSA-N 1 2 327.388 3.528 20 5 EHBDLO Cc1cccc2nc(C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)cn21 ZINC000130373250 1033235170 /nfs/dbraw/zinc/23/51/70/1033235170.db2.gz MIPRCEUQUDUOEY-UHFFFAOYSA-N 1 2 336.395 3.716 20 5 EHBDLO Cc1cccc2nc(C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)cn21 ZINC000130373250 1033235179 /nfs/dbraw/zinc/23/51/79/1033235179.db2.gz MIPRCEUQUDUOEY-UHFFFAOYSA-N 1 2 336.395 3.716 20 5 EHBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]Cc1cc(C2CC2)no1 ZINC000895763404 1024808777 /nfs/dbraw/zinc/80/87/77/1024808777.db2.gz IFQSUPHWVCSGKP-UHFFFAOYSA-N 1 2 341.289 3.769 20 5 EHBDLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000342919375 1028128403 /nfs/dbraw/zinc/12/84/03/1028128403.db2.gz AGCGWHWPDGQFEU-UHFFFAOYSA-N 1 2 347.334 3.514 20 5 EHBDLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)s1 ZINC000424337774 1028991844 /nfs/dbraw/zinc/99/18/44/1028991844.db2.gz ZXYBARXIMGUDGB-GHMZBOCLSA-N 1 2 349.412 3.558 20 5 EHBDLO CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@H](C)n3ccnc32)cc1[N+](=O)[O-] ZINC000453378892 1030200585 /nfs/dbraw/zinc/20/05/85/1030200585.db2.gz ZUMZICDUNSZMMX-OBJOEFQTSA-N 1 2 330.388 3.547 20 5 EHBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1c[nH]nc1-c1ccsc1)C2 ZINC000527116852 1030662721 /nfs/dbraw/zinc/66/27/21/1030662721.db2.gz ANBGEGXDXBFSSG-UHFFFAOYSA-N 1 2 340.408 3.605 20 5 EHBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1c[nH]nc1-c1ccsc1)C2 ZINC000527116852 1030662731 /nfs/dbraw/zinc/66/27/31/1030662731.db2.gz ANBGEGXDXBFSSG-UHFFFAOYSA-N 1 2 340.408 3.605 20 5 EHBDLO CC(C)n1ccnc1C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000594938514 1033586069 /nfs/dbraw/zinc/58/60/69/1033586069.db2.gz LVGUKYIRYJKIFI-UHFFFAOYSA-N 1 2 342.321 3.681 20 5 EHBDLO CCC[C@H]([NH2+]Cc1nccc(OC)c1F)c1cccc([N+](=O)[O-])c1 ZINC000595078710 1033697233 /nfs/dbraw/zinc/69/72/33/1033697233.db2.gz AESUKTDMVIVFEF-AWEZNQCLSA-N 1 2 333.363 3.769 20 5 EHBDLO O=C(c1ccccc1)C1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595286689 1033728304 /nfs/dbraw/zinc/72/83/04/1033728304.db2.gz GHFMCSWMYUZXBF-UHFFFAOYSA-N 1 2 342.370 3.829 20 5 EHBDLO CCCOc1ccc([C@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])cc1OC ZINC000595416578 1033792355 /nfs/dbraw/zinc/79/23/55/1033792355.db2.gz RKDQHWVMUHNVLY-NSHDSACASA-N 1 2 349.387 3.539 20 5 EHBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])Cc1cccnc1C(F)(F)F ZINC000599260093 1033840042 /nfs/dbraw/zinc/84/00/42/1033840042.db2.gz WDJANFCOHJGLHN-UHFFFAOYSA-N 1 2 325.290 3.641 20 5 EHBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])Cc1cccnc1C(F)(F)F ZINC000599260093 1033840059 /nfs/dbraw/zinc/84/00/59/1033840059.db2.gz WDJANFCOHJGLHN-UHFFFAOYSA-N 1 2 325.290 3.641 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCOc2ccc(O)cc2C1 ZINC000595845491 1034006423 /nfs/dbraw/zinc/00/64/23/1034006423.db2.gz NZWDTTIFOODHQK-ZDUSSCGKSA-N 1 2 328.368 3.564 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCOc2ccc(O)cc2C1 ZINC000595845491 1034006441 /nfs/dbraw/zinc/00/64/41/1034006441.db2.gz NZWDTTIFOODHQK-ZDUSSCGKSA-N 1 2 328.368 3.564 20 5 EHBDLO COc1ccc(OC2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)cc1 ZINC000603934170 1034072329 /nfs/dbraw/zinc/07/23/29/1034072329.db2.gz IPYMTOZNQUQIGD-UHFFFAOYSA-N 1 2 348.424 3.708 20 5 EHBDLO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599624780 1034072390 /nfs/dbraw/zinc/07/23/90/1034072390.db2.gz YLWWJNLTRSDYIE-NSHDSACASA-N 1 2 337.326 3.869 20 5 EHBDLO C[C@H]1CC(F)(F)CC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599624780 1034072402 /nfs/dbraw/zinc/07/24/02/1034072402.db2.gz YLWWJNLTRSDYIE-NSHDSACASA-N 1 2 337.326 3.869 20 5 EHBDLO C[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)Cc1ccccc1[N+](=O)[O-] ZINC000179316768 1034108218 /nfs/dbraw/zinc/10/82/18/1034108218.db2.gz QHKWTBJHXBGLKG-UHFFFAOYSA-N 1 2 340.358 3.552 20 5 EHBDLO C[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)Cc1ccccc1[N+](=O)[O-] ZINC000179316768 1034108229 /nfs/dbraw/zinc/10/82/29/1034108229.db2.gz QHKWTBJHXBGLKG-UHFFFAOYSA-N 1 2 340.358 3.552 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1COc2cc(F)cc(F)c21 ZINC000612422659 1034913514 /nfs/dbraw/zinc/91/35/14/1034913514.db2.gz REYCKGQZUSRZSB-BMIGLBTASA-N 1 2 334.322 3.966 20 5 EHBDLO Cc1c(C[NH2+]Cc2occc2Br)cccc1[N+](=O)[O-] ZINC000235817919 1035207656 /nfs/dbraw/zinc/20/76/56/1035207656.db2.gz YEVZSJLWCVBLSD-UHFFFAOYSA-N 1 2 325.162 3.549 20 5 EHBDLO Cc1c(C[N@H+]2C[C@@H](C)OC[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000464852586 1036902659 /nfs/dbraw/zinc/90/26/59/1036902659.db2.gz QVCJHJVBQJXLTB-AUUYWEPGSA-N 1 2 326.396 3.865 20 5 EHBDLO Cc1c(C[N@@H+]2C[C@@H](C)OC[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000464852586 1036902671 /nfs/dbraw/zinc/90/26/71/1036902671.db2.gz QVCJHJVBQJXLTB-AUUYWEPGSA-N 1 2 326.396 3.865 20 5 EHBDLO Cc1c(C[N@H+]2C[C@@H](C)OC[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000464852589 1036902946 /nfs/dbraw/zinc/90/29/46/1036902946.db2.gz QVCJHJVBQJXLTB-KUHUBIRLSA-N 1 2 326.396 3.865 20 5 EHBDLO Cc1c(C[N@@H+]2C[C@@H](C)OC[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000464852589 1036902956 /nfs/dbraw/zinc/90/29/56/1036902956.db2.gz QVCJHJVBQJXLTB-KUHUBIRLSA-N 1 2 326.396 3.865 20 5 EHBDLO Cc1ccc(C[N@@H+]2CCO[C@](C)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000539830659 1037255992 /nfs/dbraw/zinc/25/59/92/1037255992.db2.gz OOGCAGFEQYKMMU-IBGZPJMESA-N 1 2 326.396 3.651 20 5 EHBDLO Cc1ccc(C[N@H+]2CCO[C@](C)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000539830659 1037256003 /nfs/dbraw/zinc/25/60/03/1037256003.db2.gz OOGCAGFEQYKMMU-IBGZPJMESA-N 1 2 326.396 3.651 20 5 EHBDLO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000027125823 1037501462 /nfs/dbraw/zinc/50/14/62/1037501462.db2.gz QMCUCBSVEWMCFR-UHFFFAOYSA-N 1 2 341.411 3.591 20 5 EHBDLO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000027125823 1037501483 /nfs/dbraw/zinc/50/14/83/1037501483.db2.gz QMCUCBSVEWMCFR-UHFFFAOYSA-N 1 2 341.411 3.591 20 5 EHBDLO CC[N@H+](Cc1ccoc1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000591842819 1037649315 /nfs/dbraw/zinc/64/93/15/1037649315.db2.gz KRTNPFBMHQXCJI-UHFFFAOYSA-N 1 2 339.189 3.972 20 5 EHBDLO CC[N@@H+](Cc1ccoc1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000591842819 1037649321 /nfs/dbraw/zinc/64/93/21/1037649321.db2.gz KRTNPFBMHQXCJI-UHFFFAOYSA-N 1 2 339.189 3.972 20 5 EHBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)Cc1ccccc1N1CCCC1 ZINC000491960870 1037807982 /nfs/dbraw/zinc/80/79/82/1037807982.db2.gz ROGHFAUKALPDGT-UHFFFAOYSA-N 1 2 343.402 3.966 20 5 EHBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)Cc1ccccc1N1CCCC1 ZINC000491960870 1037807996 /nfs/dbraw/zinc/80/79/96/1037807996.db2.gz ROGHFAUKALPDGT-UHFFFAOYSA-N 1 2 343.402 3.966 20 5 EHBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000489488286 1040034912 /nfs/dbraw/zinc/03/49/12/1040034912.db2.gz XSIYMBKXNJDVLS-FZKQIMNGSA-N 1 2 330.359 3.868 20 5 EHBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000489488286 1040034931 /nfs/dbraw/zinc/03/49/31/1040034931.db2.gz XSIYMBKXNJDVLS-FZKQIMNGSA-N 1 2 330.359 3.868 20 5 EHBDLO CC[N@H+](C)CCN[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000481245376 1040545110 /nfs/dbraw/zinc/54/51/10/1040545110.db2.gz IHYVTQOTWFBEHF-ZDUSSCGKSA-N 1 2 333.457 3.926 20 5 EHBDLO CC[N@@H+](C)CCN[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000481245376 1040545123 /nfs/dbraw/zinc/54/51/23/1040545123.db2.gz IHYVTQOTWFBEHF-ZDUSSCGKSA-N 1 2 333.457 3.926 20 5 EHBDLO C[C@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000614226170 1040759465 /nfs/dbraw/zinc/75/94/65/1040759465.db2.gz ZSMZLKNTNZNNPK-ONGXEEELSA-N 1 2 343.305 3.899 20 5 EHBDLO C[C@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000614226170 1040759479 /nfs/dbraw/zinc/75/94/79/1040759479.db2.gz ZSMZLKNTNZNNPK-ONGXEEELSA-N 1 2 343.305 3.899 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000600183219 1040793381 /nfs/dbraw/zinc/79/33/81/1040793381.db2.gz BDIRYRAVKCXSFM-UHFFFAOYSA-N 1 2 340.427 3.549 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000600183219 1040793393 /nfs/dbraw/zinc/79/33/93/1040793393.db2.gz BDIRYRAVKCXSFM-UHFFFAOYSA-N 1 2 340.427 3.549 20 5 EHBDLO CC(C)(C)c1ccc(NC(=O)CCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000585753355 1043022571 /nfs/dbraw/zinc/02/25/71/1043022571.db2.gz MDOOKDPIQBFYNY-UHFFFAOYSA-N 1 2 330.388 3.508 20 5 EHBDLO Cc1nnc([C@H](C)[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)s1 ZINC000279187006 1043518468 /nfs/dbraw/zinc/51/84/68/1043518468.db2.gz WAALIXSAPSHNNO-LKFCYVNXSA-N 1 2 332.429 3.828 20 5 EHBDLO Cc1nnc([C@@H](C)[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)s1 ZINC000279187011 1043518509 /nfs/dbraw/zinc/51/85/09/1043518509.db2.gz WAALIXSAPSHNNO-OTYXRUKQSA-N 1 2 332.429 3.828 20 5 EHBDLO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cn(-c2ccccc2)nn1 ZINC000150885662 1044084951 /nfs/dbraw/zinc/08/49/51/1044084951.db2.gz FURHQFXOXARKOD-KBPBESRZSA-N 1 2 337.383 3.587 20 5 EHBDLO O=[N+]([O-])c1cc(F)c(NCc2ccc(Cn3cc[nH+]c3)cc2)c(F)c1 ZINC000301790976 1129085793 /nfs/dbraw/zinc/08/57/93/1129085793.db2.gz NYCQHYAVJBUPJO-UHFFFAOYSA-N 1 2 344.321 3.730 20 5 EHBDLO CCC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000466481023 1129484857 /nfs/dbraw/zinc/48/48/57/1129484857.db2.gz GQBNGLONQUYXSY-GFCCVEGCSA-N 1 2 339.823 3.699 20 5 EHBDLO CCC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000466481023 1129484860 /nfs/dbraw/zinc/48/48/60/1129484860.db2.gz GQBNGLONQUYXSY-GFCCVEGCSA-N 1 2 339.823 3.699 20 5 EHBDLO CC(C)(C)n1cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000154324555 1129550247 /nfs/dbraw/zinc/55/02/47/1129550247.db2.gz TYUHMBWXIWSPLZ-UHFFFAOYSA-N 1 2 328.416 3.711 20 5 EHBDLO CC(C)(C)n1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000154324555 1129550251 /nfs/dbraw/zinc/55/02/51/1129550251.db2.gz TYUHMBWXIWSPLZ-UHFFFAOYSA-N 1 2 328.416 3.711 20 5 EHBDLO COc1ccc([C@H](C)[NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)cc1F ZINC000508975855 1129604760 /nfs/dbraw/zinc/60/47/60/1129604760.db2.gz CZZDMFSFBUJTMK-VIFPVBQESA-N 1 2 340.301 3.872 20 5 EHBDLO CC[N@H+](Cc1cccs1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000096954336 1129751719 /nfs/dbraw/zinc/75/17/19/1129751719.db2.gz KEYVECNUKPTRQB-UHFFFAOYSA-N 1 2 344.396 3.728 20 5 EHBDLO CC[N@@H+](Cc1cccs1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000096954336 1129751721 /nfs/dbraw/zinc/75/17/21/1129751721.db2.gz KEYVECNUKPTRQB-UHFFFAOYSA-N 1 2 344.396 3.728 20 5 EHBDLO C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC000245442883 1130208660 /nfs/dbraw/zinc/20/86/60/1130208660.db2.gz IIQKRALGGOGSJY-XJKSGUPXSA-N 1 2 343.383 3.600 20 5 EHBDLO C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC000245442883 1130208663 /nfs/dbraw/zinc/20/86/63/1130208663.db2.gz IIQKRALGGOGSJY-XJKSGUPXSA-N 1 2 343.383 3.600 20 5 EHBDLO COc1cc(C[N@H+]2Cc3ccccc3[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000766106228 1130319503 /nfs/dbraw/zinc/31/95/03/1130319503.db2.gz AMEKOKQSRKLMOM-LBPRGKRZSA-N 1 2 330.359 3.862 20 5 EHBDLO COc1cc(C[N@@H+]2Cc3ccccc3[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000766106228 1130319509 /nfs/dbraw/zinc/31/95/09/1130319509.db2.gz AMEKOKQSRKLMOM-LBPRGKRZSA-N 1 2 330.359 3.862 20 5 EHBDLO CC(C)(C)c1cnc(NCCc2cn3ccccc3[nH+]2)c([N+](=O)[O-])c1 ZINC001169001839 1132628368 /nfs/dbraw/zinc/62/83/68/1132628368.db2.gz AKDMZWWETHDSAJ-UHFFFAOYSA-N 1 2 339.399 3.590 20 5 EHBDLO Cc1ccccc1N1CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC001179950544 1133305117 /nfs/dbraw/zinc/30/51/17/1133305117.db2.gz FCECSLIFNVTHGG-UHFFFAOYSA-N 1 2 345.830 3.879 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000774837304 1134043900 /nfs/dbraw/zinc/04/39/00/1134043900.db2.gz PGVCOOKUQYTPPF-INIZCTEOSA-N 1 2 345.330 3.979 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000774837304 1134043906 /nfs/dbraw/zinc/04/39/06/1134043906.db2.gz PGVCOOKUQYTPPF-INIZCTEOSA-N 1 2 345.330 3.979 20 5 EHBDLO Cc1nc(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cs1 ZINC001199108972 1135882816 /nfs/dbraw/zinc/88/28/16/1135882816.db2.gz CVPZIQANGKIRNA-UHFFFAOYSA-N 1 2 329.381 3.910 20 5 EHBDLO C[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809944787 1135903446 /nfs/dbraw/zinc/90/34/46/1135903446.db2.gz VLUZWQRGSOESPR-ZANVPECISA-N 1 2 333.215 3.637 20 5 EHBDLO C[C@H](O)[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809944787 1135903447 /nfs/dbraw/zinc/90/34/47/1135903447.db2.gz VLUZWQRGSOESPR-ZANVPECISA-N 1 2 333.215 3.637 20 5 EHBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC000810093345 1135921012 /nfs/dbraw/zinc/92/10/12/1135921012.db2.gz MTYSBTGODGYVEM-HOTGVXAUSA-N 1 2 336.819 3.782 20 5 EHBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC000810093345 1135921015 /nfs/dbraw/zinc/92/10/15/1135921015.db2.gz MTYSBTGODGYVEM-HOTGVXAUSA-N 1 2 336.819 3.782 20 5 EHBDLO Cc1cc(NCc2ccc(-n3cc[nH+]c3)cc2)c(F)cc1[N+](=O)[O-] ZINC000812456077 1136210746 /nfs/dbraw/zinc/21/07/46/1136210746.db2.gz NVNHBPSWFGRDRB-UHFFFAOYSA-N 1 2 326.331 3.840 20 5 EHBDLO Cn1ncc2c1CC(C)(C)C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000854057799 1136584391 /nfs/dbraw/zinc/58/43/91/1136584391.db2.gz BQJONLOVUFLBAH-UHFFFAOYSA-N 1 2 348.834 3.566 20 5 EHBDLO Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000854057799 1136584394 /nfs/dbraw/zinc/58/43/94/1136584394.db2.gz BQJONLOVUFLBAH-UHFFFAOYSA-N 1 2 348.834 3.566 20 5 EHBDLO C[C@H]([NH2+]Cc1c(F)c(F)cc(F)c1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815595793 1136616406 /nfs/dbraw/zinc/61/64/06/1136616406.db2.gz BOQBJJYTWURDGL-ZETCQYMHSA-N 1 2 343.280 3.584 20 5 EHBDLO CCc1ccc(OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000857827816 1136910961 /nfs/dbraw/zinc/91/09/61/1136910961.db2.gz VHBRLTLZZBMTIN-UHFFFAOYSA-N 1 2 337.335 3.562 20 5 EHBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH+]1CCC(C2(O)CC2)CC1 ZINC000844363910 1137215625 /nfs/dbraw/zinc/21/56/25/1137215625.db2.gz YTCDZXYGLFYMEV-UHFFFAOYSA-N 1 2 345.226 3.639 20 5 EHBDLO COc1ccc(C[NH2+][C@H]2c3ccccc3CC[C@H]2F)cc1[N+](=O)[O-] ZINC000883383379 1137858533 /nfs/dbraw/zinc/85/85/33/1137858533.db2.gz XKPDHMHZLKMNMT-QAPCUYQASA-N 1 2 330.359 3.719 20 5 EHBDLO Cn1cc([C@H]2CCCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000331926328 1137925916 /nfs/dbraw/zinc/92/59/16/1137925916.db2.gz PBZJTETUTFVQSI-MRXNPFEDSA-N 1 2 334.807 3.709 20 5 EHBDLO Cn1cc([C@H]2CCCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000331926328 1137925917 /nfs/dbraw/zinc/92/59/17/1137925917.db2.gz PBZJTETUTFVQSI-MRXNPFEDSA-N 1 2 334.807 3.709 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000135229282 1137964771 /nfs/dbraw/zinc/96/47/71/1137964771.db2.gz WFQSOEHYCXLWOX-UHFFFAOYSA-N 1 2 327.340 3.668 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000135229282 1137964772 /nfs/dbraw/zinc/96/47/72/1137964772.db2.gz WFQSOEHYCXLWOX-UHFFFAOYSA-N 1 2 327.340 3.668 20 5 EHBDLO COCc1ccc([C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)o1 ZINC000130996864 1138489335 /nfs/dbraw/zinc/48/93/35/1138489335.db2.gz JFIDTWSDWDORKC-MRXNPFEDSA-N 1 2 334.347 3.810 20 5 EHBDLO COCc1ccc([C@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2F)o1 ZINC000130996864 1138489338 /nfs/dbraw/zinc/48/93/38/1138489338.db2.gz JFIDTWSDWDORKC-MRXNPFEDSA-N 1 2 334.347 3.810 20 5 EHBDLO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]1c1ccccc1 ZINC000177832447 1139644873 /nfs/dbraw/zinc/64/48/73/1139644873.db2.gz REGUMNOIHAVWEK-ACJLOTCBSA-N 1 2 340.379 3.654 20 5 EHBDLO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]1c1ccccc1 ZINC000177832447 1139644881 /nfs/dbraw/zinc/64/48/81/1139644881.db2.gz REGUMNOIHAVWEK-ACJLOTCBSA-N 1 2 340.379 3.654 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000182763240 1139991180 /nfs/dbraw/zinc/99/11/80/1139991180.db2.gz LXJYYRWZJVHAHJ-CQSZACIVSA-N 1 2 342.443 3.879 20 5 EHBDLO COC[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000193276894 1140569376 /nfs/dbraw/zinc/56/93/76/1140569376.db2.gz APBBTMVEABPSFF-CYBMUJFWSA-N 1 2 326.805 3.787 20 5 EHBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccs3)CC2)c(Cl)c1 ZINC000022812626 212326632 /nfs/dbraw/zinc/32/66/32/212326632.db2.gz QQXJVVOEOXBALU-UHFFFAOYSA-N 1 2 337.832 3.632 20 5 EHBDLO COc1ccccc1C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000339294184 1014175151 /nfs/dbraw/zinc/17/51/51/1014175151.db2.gz XAJHDKRHYUVXEV-UHFFFAOYSA-N 1 2 342.395 3.777 20 5 EHBDLO COc1ccccc1C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000339294184 1014175159 /nfs/dbraw/zinc/17/51/59/1014175159.db2.gz XAJHDKRHYUVXEV-UHFFFAOYSA-N 1 2 342.395 3.777 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000430194205 1014780429 /nfs/dbraw/zinc/78/04/29/1014780429.db2.gz HNDOLROBEDJRAP-LIRRHRJNSA-N 1 2 342.395 3.565 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000430194205 1014780435 /nfs/dbraw/zinc/78/04/35/1014780435.db2.gz HNDOLROBEDJRAP-LIRRHRJNSA-N 1 2 342.395 3.565 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1c(F)cccc1OC ZINC000430202217 1014882792 /nfs/dbraw/zinc/88/27/92/1014882792.db2.gz LWGCHAOJQKHECU-LLVKDONJSA-N 1 2 334.347 3.602 20 5 EHBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@H]3c3ccccc3)n2)cc1 ZINC000471174619 1015270890 /nfs/dbraw/zinc/27/08/90/1015270890.db2.gz ZWGUCXYCLJRQTA-MRXNPFEDSA-N 1 2 336.351 3.592 20 5 EHBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@@H]3c3ccccc3)n2)cc1 ZINC000471174619 1015270901 /nfs/dbraw/zinc/27/09/01/1015270901.db2.gz ZWGUCXYCLJRQTA-MRXNPFEDSA-N 1 2 336.351 3.592 20 5 EHBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289870040 1032514427 /nfs/dbraw/zinc/51/44/27/1032514427.db2.gz LSVMLLPHGKEDBM-CYBMUJFWSA-N 1 2 341.198 3.545 20 5 EHBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289870040 1032514434 /nfs/dbraw/zinc/51/44/34/1032514434.db2.gz LSVMLLPHGKEDBM-CYBMUJFWSA-N 1 2 341.198 3.545 20 5 EHBDLO Cc1ccc([C@H](C)[NH2+]Cc2csc(N(C)C3CC3)n2)cc1[N+](=O)[O-] ZINC000537178675 1032549762 /nfs/dbraw/zinc/54/97/62/1032549762.db2.gz WEEPLUKNIAUXJB-LBPRGKRZSA-N 1 2 346.456 3.809 20 5 EHBDLO CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449562676 1032811497 /nfs/dbraw/zinc/81/14/97/1032811497.db2.gz MZTANIHSUAXSSC-CYBMUJFWSA-N 1 2 340.383 3.922 20 5 EHBDLO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)c2nccn21 ZINC000449568896 1032821403 /nfs/dbraw/zinc/82/14/03/1032821403.db2.gz DVRXBOGFYDHGEV-IUODEOHRSA-N 1 2 338.367 3.847 20 5 EHBDLO Cc1[nH]c2ccc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)cc2[nH+]1 ZINC000054535923 1032843423 /nfs/dbraw/zinc/84/34/23/1032843423.db2.gz YGOLYKQCUWYSSU-UHFFFAOYSA-N 1 2 342.380 3.510 20 5 EHBDLO C[C@]1([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)CCOc2ccccc21 ZINC000933371912 1021499051 /nfs/dbraw/zinc/49/90/51/1021499051.db2.gz STIZTBBSFFVXTR-KRWDZBQOSA-N 1 2 334.322 3.661 20 5 EHBDLO O=[N+]([O-])c1cc2c(ncnc2Oc2cccc(-n3cc[nH+]c3)c2)s1 ZINC000342414577 1025295055 /nfs/dbraw/zinc/29/50/55/1025295055.db2.gz MDCIUQSTFBRFKX-UHFFFAOYSA-N 1 2 339.336 3.578 20 5 EHBDLO Cc1cc(-c2nnc(C[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)o2)c(C)o1 ZINC000451106887 1025539409 /nfs/dbraw/zinc/53/94/09/1025539409.db2.gz QARXZIIPBHPZBF-NSHDSACASA-N 1 2 342.355 3.705 20 5 EHBDLO C[C@H](c1nc(C(C)(C)C)no1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511093110 1025648437 /nfs/dbraw/zinc/64/84/37/1025648437.db2.gz BYPJLWAMDDLWFS-GFCCVEGCSA-N 1 2 332.404 3.511 20 5 EHBDLO C[C@H](c1nc(C(C)(C)C)no1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511093110 1025648445 /nfs/dbraw/zinc/64/84/45/1025648445.db2.gz BYPJLWAMDDLWFS-GFCCVEGCSA-N 1 2 332.404 3.511 20 5 EHBDLO COCCn1c2ccccc2[nH+]c1NCc1ccc([N+](=O)[O-])cc1C ZINC000185845713 1026016147 /nfs/dbraw/zinc/01/61/47/1026016147.db2.gz WNKQRLQIDJEJPN-UHFFFAOYSA-N 1 2 340.383 3.511 20 5 EHBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]Cc1nc2c(s1)CCCC2 ZINC000896821595 1026107251 /nfs/dbraw/zinc/10/72/51/1026107251.db2.gz DGAOVFAGPPSSJI-UHFFFAOYSA-N 1 2 337.832 3.873 20 5 EHBDLO Cc1cc(C)c(CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)c[nH+]1 ZINC000455242915 1027898858 /nfs/dbraw/zinc/89/88/58/1027898858.db2.gz IBVHJNGOPFVFPG-UHFFFAOYSA-N 1 2 328.372 3.545 20 5 EHBDLO Cc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(C)c1 ZINC000016031400 1028001821 /nfs/dbraw/zinc/00/18/21/1028001821.db2.gz KGWZOAWHLQDIHW-UHFFFAOYSA-N 1 2 336.351 3.650 20 5 EHBDLO CC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cc(F)ccc1F ZINC000444674729 1028144550 /nfs/dbraw/zinc/14/45/50/1028144550.db2.gz PVWRHWKJJDKDTO-CQSZACIVSA-N 1 2 346.337 3.990 20 5 EHBDLO COC(=O)c1cnc([C@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000424329147 1028977067 /nfs/dbraw/zinc/97/70/67/1028977067.db2.gz PGMARQRUDLDJPC-MNOVXSKESA-N 1 2 349.412 3.558 20 5 EHBDLO CCC(CC)CN(CC)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448698207 1031476004 /nfs/dbraw/zinc/47/60/04/1031476004.db2.gz HIQAFZKVCIZTKD-UHFFFAOYSA-N 1 2 344.415 3.679 20 5 EHBDLO CC(C)c1nnc([C@@H](C)[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)[nH]1 ZINC000278597185 1031582805 /nfs/dbraw/zinc/58/28/05/1031582805.db2.gz AJDYBHQUBMWJLP-ABAIWWIYSA-N 1 2 343.431 3.910 20 5 EHBDLO CCOc1cncc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000598677798 1033377812 /nfs/dbraw/zinc/37/78/12/1033377812.db2.gz AQXAKTTYIDLLKC-UHFFFAOYSA-N 1 2 327.384 3.553 20 5 EHBDLO CCOc1cncc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000598677798 1033377826 /nfs/dbraw/zinc/37/78/26/1033377826.db2.gz AQXAKTTYIDLLKC-UHFFFAOYSA-N 1 2 327.384 3.553 20 5 EHBDLO CCc1ccc([C@H]([NH2+]CCN2CCCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612406304 1034898341 /nfs/dbraw/zinc/89/83/41/1034898341.db2.gz DDYNGXDCJXXKMX-LJQANCHMSA-N 1 2 343.427 3.525 20 5 EHBDLO CCO[C@H](C)c1nc(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000075888022 1036184943 /nfs/dbraw/zinc/18/49/43/1036184943.db2.gz POXNDFGMXROQIU-CYBMUJFWSA-N 1 2 349.456 3.823 20 5 EHBDLO CCO[C@H](C)c1nc(C[N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000075888022 1036184951 /nfs/dbraw/zinc/18/49/51/1036184951.db2.gz POXNDFGMXROQIU-CYBMUJFWSA-N 1 2 349.456 3.823 20 5 EHBDLO CCO[C@@H](C)c1nc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000180430288 1036816352 /nfs/dbraw/zinc/81/63/52/1036816352.db2.gz KAVCPJRCYGZPPX-RYUDHWBXSA-N 1 2 335.429 4.000 20 5 EHBDLO CCC(CC)N(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000590628426 1036976626 /nfs/dbraw/zinc/97/66/26/1036976626.db2.gz GORGDQRLUXLZOD-UHFFFAOYSA-N 1 2 342.399 3.574 20 5 EHBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc[nH+]1 ZINC000122516688 1037326082 /nfs/dbraw/zinc/32/60/82/1037326082.db2.gz GHHBKUYVDRQRPN-UHFFFAOYSA-N 1 2 325.246 3.569 20 5 EHBDLO CCCCCC[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032141182 1037688437 /nfs/dbraw/zinc/68/84/37/1037688437.db2.gz KISRJIILSGCNDR-AWEZNQCLSA-N 1 2 344.415 3.869 20 5 EHBDLO O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCC(Oc2ccccn2)CC1 ZINC000491982707 1037816270 /nfs/dbraw/zinc/81/62/70/1037816270.db2.gz RWOUTGVKPSRJKF-UHFFFAOYSA-N 1 2 347.802 3.687 20 5 EHBDLO Cc1cc([C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C2CC2)ccc1F ZINC000555421960 1040558760 /nfs/dbraw/zinc/55/87/60/1040558760.db2.gz YQZVWCPMYLATLU-GOSISDBHSA-N 1 2 330.359 3.989 20 5 EHBDLO NC(Cc1ccccc1Cl)=[NH+]OCc1c(F)cccc1[N+](=O)[O-] ZINC000728909948 1044733759 /nfs/dbraw/zinc/73/37/59/1044733759.db2.gz ALQWBFYWRZSSGZ-UHFFFAOYSA-N 1 2 337.738 3.628 20 5 EHBDLO COCc1cc([N+](=O)[O-])ccc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000301449494 1127892451 /nfs/dbraw/zinc/89/24/51/1127892451.db2.gz SAQHZKMSDNFIKT-UHFFFAOYSA-N 1 2 338.367 3.539 20 5 EHBDLO C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000556271030 1122908969 /nfs/dbraw/zinc/90/89/69/1122908969.db2.gz WKAFZWKVJQCKDE-BBATYDOGSA-N 1 2 348.349 3.697 20 5 EHBDLO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000556271030 1122908973 /nfs/dbraw/zinc/90/89/73/1122908973.db2.gz WKAFZWKVJQCKDE-BBATYDOGSA-N 1 2 348.349 3.697 20 5 EHBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)cs1 ZINC000115556738 1129273697 /nfs/dbraw/zinc/27/36/97/1129273697.db2.gz UHXYSSCHZSGKDX-UHFFFAOYSA-N 1 2 336.388 3.839 20 5 EHBDLO COC[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccco1 ZINC000080240712 1129339737 /nfs/dbraw/zinc/33/97/37/1129339737.db2.gz BMFLOHXPKMPCHZ-OAHLLOKOSA-N 1 2 342.351 3.925 20 5 EHBDLO CC(C)c1ccc(C[NH2+][C@H](c2ncccn2)C2CC2)cc1[N+](=O)[O-] ZINC000922583492 1129583032 /nfs/dbraw/zinc/58/30/32/1129583032.db2.gz UAGXWNAVGKGKAM-KRWDZBQOSA-N 1 2 326.400 3.749 20 5 EHBDLO CCS[C@H](C)c1noc(-c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000351090636 1129799230 /nfs/dbraw/zinc/79/92/30/1129799230.db2.gz MBSLJOSOLVFFLA-SNVBAGLBSA-N 1 2 345.384 3.645 20 5 EHBDLO O=[N+]([O-])c1ccc2nc(NCCCNc3cccc[nH+]3)sc2c1 ZINC000731206996 1130779703 /nfs/dbraw/zinc/77/97/03/1130779703.db2.gz YIPLACYDKGVIJN-UHFFFAOYSA-N 1 2 329.385 3.514 20 5 EHBDLO CC(C)[N@@H+](Cc1ccccc1F)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000746033048 1132351379 /nfs/dbraw/zinc/35/13/79/1132351379.db2.gz LDXMRAUOPVAQLH-UHFFFAOYSA-N 1 2 342.374 3.952 20 5 EHBDLO CC(C)[N@H+](Cc1ccccc1F)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000746033048 1132351385 /nfs/dbraw/zinc/35/13/85/1132351385.db2.gz LDXMRAUOPVAQLH-UHFFFAOYSA-N 1 2 342.374 3.952 20 5 EHBDLO O=[N+]([O-])c1cccc([N+](=O)[O-])c1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000804339746 1132861818 /nfs/dbraw/zinc/86/18/18/1132861818.db2.gz LKHDSXSOTUYYTO-UHFFFAOYSA-N 1 2 343.343 3.632 20 5 EHBDLO Cc1[nH]c(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)cc2)[nH+]c1C ZINC001176210039 1132875447 /nfs/dbraw/zinc/87/54/47/1132875447.db2.gz DSWKUIZIWCFKQM-UHFFFAOYSA-N 1 2 342.380 3.916 20 5 EHBDLO CC[C@]1(O)CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001196833930 1135616420 /nfs/dbraw/zinc/61/64/20/1135616420.db2.gz VLBVANBDWRDLBX-AWEZNQCLSA-N 1 2 333.215 3.639 20 5 EHBDLO CC[C@]1(O)CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001196833930 1135616422 /nfs/dbraw/zinc/61/64/22/1135616422.db2.gz VLBVANBDWRDLBX-AWEZNQCLSA-N 1 2 333.215 3.639 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1Cl ZINC000811518094 1136097891 /nfs/dbraw/zinc/09/78/91/1136097891.db2.gz GLCNEUZUEHBGDX-HZPDHXFCSA-N 1 2 336.819 3.782 20 5 EHBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1Cl ZINC000811518094 1136097893 /nfs/dbraw/zinc/09/78/93/1136097893.db2.gz GLCNEUZUEHBGDX-HZPDHXFCSA-N 1 2 336.819 3.782 20 5 EHBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000852501077 1136460680 /nfs/dbraw/zinc/46/06/80/1136460680.db2.gz HZJOJQQFVRAHPE-OAHLLOKOSA-N 1 2 345.226 3.639 20 5 EHBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000852501077 1136460681 /nfs/dbraw/zinc/46/06/81/1136460681.db2.gz HZJOJQQFVRAHPE-OAHLLOKOSA-N 1 2 345.226 3.639 20 5 EHBDLO C[C@H]1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000820675850 1137000632 /nfs/dbraw/zinc/00/06/32/1137000632.db2.gz KPDMGMKRBSPYKP-BONVTDFDSA-N 1 2 338.770 3.671 20 5 EHBDLO CC(C)Oc1ccc(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])cn1 ZINC000872025603 1137565698 /nfs/dbraw/zinc/56/56/98/1137565698.db2.gz PZGUHNJXWAJGDR-GFCCVEGCSA-N 1 2 333.363 3.767 20 5 EHBDLO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000872047682 1137567611 /nfs/dbraw/zinc/56/76/11/1137567611.db2.gz COJRLOYNOCUDQC-HZMBPMFUSA-N 1 2 332.429 3.768 20 5 EHBDLO C[C@H]([NH2+]Cc1cccc2c1OCCCO2)c1c(F)cccc1[N+](=O)[O-] ZINC000872051110 1137567908 /nfs/dbraw/zinc/56/79/08/1137567908.db2.gz GCEYZWMPFQAQFT-LBPRGKRZSA-N 1 2 346.358 3.746 20 5 EHBDLO C[C@@H]([NH2+]Cc1cc2c([nH]c1=O)CCCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872096237 1137571081 /nfs/dbraw/zinc/57/10/81/1137571081.db2.gz YYEZCEPOGVJNKC-LLVKDONJSA-N 1 2 345.374 3.564 20 5 EHBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@H](O)C[C@@H]2c2ccccc2)c1 ZINC000877674958 1137685390 /nfs/dbraw/zinc/68/53/90/1137685390.db2.gz YCHUWRWITYDSGB-FUHWJXTLSA-N 1 2 346.814 3.946 20 5 EHBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H](O)C[C@@H]2c2ccccc2)c1 ZINC000877674958 1137685391 /nfs/dbraw/zinc/68/53/91/1137685391.db2.gz YCHUWRWITYDSGB-FUHWJXTLSA-N 1 2 346.814 3.946 20 5 EHBDLO COc1ccc([C@H]2C[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CCO2)cc1 ZINC000879631821 1137752772 /nfs/dbraw/zinc/75/27/72/1137752772.db2.gz RDCOTEGKCKYPBU-IFXJQAMLSA-N 1 2 342.395 3.738 20 5 EHBDLO COc1ccc([C@H]2C[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CCO2)cc1 ZINC000879631821 1137752773 /nfs/dbraw/zinc/75/27/73/1137752773.db2.gz RDCOTEGKCKYPBU-IFXJQAMLSA-N 1 2 342.395 3.738 20 5 EHBDLO Cc1nc(N2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)sc1C ZINC000332475045 1137944959 /nfs/dbraw/zinc/94/49/59/1137944959.db2.gz UTKSLQQNROMNJA-ZDUSSCGKSA-N 1 2 346.456 3.551 20 5 EHBDLO Cc1nn(C)c(Cl)c1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000066155684 1138074085 /nfs/dbraw/zinc/07/40/85/1138074085.db2.gz BONOSKUHRWJLJD-UHFFFAOYSA-N 1 2 336.823 3.701 20 5 EHBDLO Cc1nn(C)c(Cl)c1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000066155684 1138074087 /nfs/dbraw/zinc/07/40/87/1138074087.db2.gz BONOSKUHRWJLJD-UHFFFAOYSA-N 1 2 336.823 3.701 20 5 EHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)c1ccncc1 ZINC000127584106 1138363265 /nfs/dbraw/zinc/36/32/65/1138363265.db2.gz YUYNJAJKTDFJNP-CQSZACIVSA-N 1 2 329.400 3.970 20 5 EHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](C)c1ccncc1 ZINC000127584106 1138363269 /nfs/dbraw/zinc/36/32/69/1138363269.db2.gz YUYNJAJKTDFJNP-CQSZACIVSA-N 1 2 329.400 3.970 20 5 EHBDLO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000267491677 1140797532 /nfs/dbraw/zinc/79/75/32/1140797532.db2.gz FGRUCVGSLITVFY-SFHVURJKSA-N 1 2 336.395 3.819 20 5 EHBDLO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000267491677 1140797535 /nfs/dbraw/zinc/79/75/35/1140797535.db2.gz FGRUCVGSLITVFY-SFHVURJKSA-N 1 2 336.395 3.819 20 5 EHBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCCc4cn[nH]c43)o2)cc1 ZINC000268883846 1141017329 /nfs/dbraw/zinc/01/73/29/1141017329.db2.gz YMBNAKKVYCNFFY-INIZCTEOSA-N 1 2 338.367 3.745 20 5 EHBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000269684744 1141135218 /nfs/dbraw/zinc/13/52/18/1141135218.db2.gz ZOJCKBWHDLLJNG-SNVBAGLBSA-N 1 2 342.321 3.540 20 5 EHBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000269684744 1141135225 /nfs/dbraw/zinc/13/52/25/1141135225.db2.gz ZOJCKBWHDLLJNG-SNVBAGLBSA-N 1 2 342.321 3.540 20 5 EHBDLO CC[C@@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000271448763 1141369794 /nfs/dbraw/zinc/36/97/94/1141369794.db2.gz HWMVYQOFOZBERQ-HZPDHXFCSA-N 1 2 336.338 3.647 20 5 EHBDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000271576472 1141401371 /nfs/dbraw/zinc/40/13/71/1141401371.db2.gz PHQMOJYPFWDWGK-HNNXBMFYSA-N 1 2 334.807 3.925 20 5 EHBDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000271576472 1141401374 /nfs/dbraw/zinc/40/13/74/1141401374.db2.gz PHQMOJYPFWDWGK-HNNXBMFYSA-N 1 2 334.807 3.925 20 5 EHBDLO O=[N+]([O-])c1cccc(C[NH+]2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)c1 ZINC000076181316 1014213524 /nfs/dbraw/zinc/21/35/24/1014213524.db2.gz RSLJELXDMAIZJD-QWRGUYRKSA-N 1 2 342.239 3.767 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1ccccc1SC ZINC000430232196 1015143505 /nfs/dbraw/zinc/14/35/05/1015143505.db2.gz FRKFDLUIPKCZJX-UHFFFAOYSA-N 1 2 332.425 3.957 20 5 EHBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1ccccc1SC ZINC000430232196 1015143513 /nfs/dbraw/zinc/14/35/13/1015143513.db2.gz FRKFDLUIPKCZJX-UHFFFAOYSA-N 1 2 332.425 3.957 20 5 EHBDLO C[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])c1nccs1 ZINC000162184460 1032298547 /nfs/dbraw/zinc/29/85/47/1032298547.db2.gz NTJDGFHHRVFYKC-MRVPVSSYSA-N 1 2 342.218 3.665 20 5 EHBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000538475228 1032395871 /nfs/dbraw/zinc/39/58/71/1032395871.db2.gz ASXOFMTUONGBNC-KXBFYZLASA-N 1 2 326.396 3.599 20 5 EHBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000538475228 1032395881 /nfs/dbraw/zinc/39/58/81/1032395881.db2.gz ASXOFMTUONGBNC-KXBFYZLASA-N 1 2 326.396 3.599 20 5 EHBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000610003891 1017979208 /nfs/dbraw/zinc/97/92/08/1017979208.db2.gz MZNXMBKVPSNFGI-LBPRGKRZSA-N 1 2 330.359 3.862 20 5 EHBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000610003891 1017979216 /nfs/dbraw/zinc/97/92/16/1017979216.db2.gz MZNXMBKVPSNFGI-LBPRGKRZSA-N 1 2 330.359 3.862 20 5 EHBDLO Cc1ccc(C[NH2+]Cc2c(F)cc(F)c(F)c2F)cc1[N+](=O)[O-] ZINC000430020270 1019782952 /nfs/dbraw/zinc/78/29/52/1019782952.db2.gz GOPMWCKJNFZLCU-UHFFFAOYSA-N 1 2 328.265 3.749 20 5 EHBDLO CCOc1cc(NCCc2cn3cccc(C)c3[nH+]2)ccc1[N+](=O)[O-] ZINC000610515854 1021172380 /nfs/dbraw/zinc/17/23/80/1021172380.db2.gz ATNUKASFPNOLRI-UHFFFAOYSA-N 1 2 340.383 3.604 20 5 EHBDLO Cc1nn(Cc2c[nH+]cn2Cc2ccccc2)c2ccc([N+](=O)[O-])cc12 ZINC000438319667 1022560279 /nfs/dbraw/zinc/56/02/79/1022560279.db2.gz JFYBBNGNOMHSLX-UHFFFAOYSA-N 1 2 347.378 3.546 20 5 EHBDLO O=[N+]([O-])c1ccc2c(c1)nccc2N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895346115 1024343152 /nfs/dbraw/zinc/34/31/52/1024343152.db2.gz DBBKITVBVVWZPF-UHFFFAOYSA-N 1 2 349.394 3.619 20 5 EHBDLO CSC1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000602921213 1033266435 /nfs/dbraw/zinc/26/64/35/1033266435.db2.gz SBJXVHPAHGAOGQ-UHFFFAOYSA-N 1 2 345.262 3.685 20 5 EHBDLO O=[N+]([O-])c1cc(Br)ccc1C[NH+]1CCC(C(F)F)CC1 ZINC000425427385 1025259837 /nfs/dbraw/zinc/25/98/37/1025259837.db2.gz SOLGOVJPMRCROX-UHFFFAOYSA-N 1 2 349.175 3.834 20 5 EHBDLO Cc1[nH]c([C@H]2CCCN2c2nc3ccccc3cc2[N+](=O)[O-])[nH+]c1C ZINC000895193929 1026090240 /nfs/dbraw/zinc/09/02/40/1026090240.db2.gz WLXULLXSOHXUCA-OAHLLOKOSA-N 1 2 337.383 3.824 20 5 EHBDLO CO[C@H](C)c1nc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cs1 ZINC000531721639 1027269408 /nfs/dbraw/zinc/26/94/08/1027269408.db2.gz JWCHFAYKRRBHOE-NWDGAFQWSA-N 1 2 335.429 3.918 20 5 EHBDLO CC[C@H](CO)[N@H+](Cc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000347339456 1027920584 /nfs/dbraw/zinc/92/05/84/1027920584.db2.gz IGCJHWPDSQICKF-OAHLLOKOSA-N 1 2 332.375 3.507 20 5 EHBDLO CC[C@H](CO)[N@@H+](Cc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000347339456 1027920593 /nfs/dbraw/zinc/92/05/93/1027920593.db2.gz IGCJHWPDSQICKF-OAHLLOKOSA-N 1 2 332.375 3.507 20 5 EHBDLO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC000444623537 1028095917 /nfs/dbraw/zinc/09/59/17/1028095917.db2.gz BSEPFYXVRZCGIZ-JTQLQIEISA-N 1 2 345.428 3.737 20 5 EHBDLO Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC000444623537 1028095930 /nfs/dbraw/zinc/09/59/30/1028095930.db2.gz BSEPFYXVRZCGIZ-JTQLQIEISA-N 1 2 345.428 3.737 20 5 EHBDLO C[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000502672308 1028514250 /nfs/dbraw/zinc/51/42/50/1028514250.db2.gz ZXVVPUQYYWGGGE-CYBMUJFWSA-N 1 2 347.365 3.756 20 5 EHBDLO COCC[N@H+](Cc1cccs1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000523839911 1028669041 /nfs/dbraw/zinc/66/90/41/1028669041.db2.gz CZLDZTNNLHGRQT-UHFFFAOYSA-N 1 2 340.832 3.958 20 5 EHBDLO COCC[N@@H+](Cc1cccs1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000523839911 1028669046 /nfs/dbraw/zinc/66/90/46/1028669046.db2.gz CZLDZTNNLHGRQT-UHFFFAOYSA-N 1 2 340.832 3.958 20 5 EHBDLO O=[N+]([O-])c1cccc(SCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000421835470 1028826341 /nfs/dbraw/zinc/82/63/41/1028826341.db2.gz FFBXARKGBSIPPB-UHFFFAOYSA-N 1 2 344.436 3.719 20 5 EHBDLO O=[N+]([O-])c1ccc(NC2CCN(c3cccc[nH+]3)CC2)c2ncccc12 ZINC000052185327 1029235125 /nfs/dbraw/zinc/23/51/25/1029235125.db2.gz SHGOBEBBBHTLAS-UHFFFAOYSA-N 1 2 349.394 3.619 20 5 EHBDLO CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)n3ccnc32)cc1[N+](=O)[O-] ZINC000453378897 1030201853 /nfs/dbraw/zinc/20/18/53/1030201853.db2.gz ZUMZICDUNSZMMX-SGMGOOAPSA-N 1 2 330.388 3.547 20 5 EHBDLO CC(C)c1nnc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000447575277 1030338316 /nfs/dbraw/zinc/33/83/16/1030338316.db2.gz RMQAVFDUOMYBNX-AWEZNQCLSA-N 1 2 332.429 3.737 20 5 EHBDLO COC[C@@H]([NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000903104624 1031231822 /nfs/dbraw/zinc/23/18/22/1031231822.db2.gz JWJPPPYZGIASAV-BLLLJJGKSA-N 1 2 334.372 3.543 20 5 EHBDLO CCc1oc2ccccc2c1C[N@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595284674 1033725989 /nfs/dbraw/zinc/72/59/89/1033725989.db2.gz ABPZDBKDWNCMPI-UHFFFAOYSA-N 1 2 329.356 3.832 20 5 EHBDLO CCc1oc2ccccc2c1C[N@@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595284674 1033726018 /nfs/dbraw/zinc/72/60/18/1033726018.db2.gz ABPZDBKDWNCMPI-UHFFFAOYSA-N 1 2 329.356 3.832 20 5 EHBDLO COc1cc(C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C2CC2)ccc1O ZINC000595393054 1033778807 /nfs/dbraw/zinc/77/88/07/1033778807.db2.gz UNPKJLJSEVAQGQ-UHFFFAOYSA-N 1 2 346.358 3.613 20 5 EHBDLO COc1cc(C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C2CC2)ccc1O ZINC000595393054 1033778817 /nfs/dbraw/zinc/77/88/17/1033778817.db2.gz UNPKJLJSEVAQGQ-UHFFFAOYSA-N 1 2 346.358 3.613 20 5 EHBDLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000129988491 1034349568 /nfs/dbraw/zinc/34/95/68/1034349568.db2.gz DZMMWEBVOSNZRS-UHFFFAOYSA-N 1 2 347.334 3.514 20 5 EHBDLO CCOc1cc(C[N@@H+]2CCc3ccc(OC)cc3C2)ccc1[N+](=O)[O-] ZINC000492480657 1035847767 /nfs/dbraw/zinc/84/77/67/1035847767.db2.gz ARYNJEJZHJRXAF-UHFFFAOYSA-N 1 2 342.395 3.560 20 5 EHBDLO CCOc1cc(C[N@H+]2CCc3ccc(OC)cc3C2)ccc1[N+](=O)[O-] ZINC000492480657 1035847787 /nfs/dbraw/zinc/84/77/87/1035847787.db2.gz ARYNJEJZHJRXAF-UHFFFAOYSA-N 1 2 342.395 3.560 20 5 EHBDLO C[C@@H]([NH2+]Cc1csc(C(F)(F)F)n1)c1cccc([N+](=O)[O-])c1 ZINC000892622157 1036752338 /nfs/dbraw/zinc/75/23/38/1036752338.db2.gz NDQNQJSXYZPYDI-MRVPVSSYSA-N 1 2 331.319 3.921 20 5 EHBDLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000110224833 1037624644 /nfs/dbraw/zinc/62/46/44/1037624644.db2.gz FNUHBOXXFKQPIB-UHFFFAOYSA-N 1 2 342.742 3.686 20 5 EHBDLO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H]1OCCc2ccccc21 ZINC000493901410 1037721521 /nfs/dbraw/zinc/72/15/21/1037721521.db2.gz UEZXXKIYJQARKM-SFHVURJKSA-N 1 2 346.814 3.994 20 5 EHBDLO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H]1OCCc2ccccc21 ZINC000493901410 1037721539 /nfs/dbraw/zinc/72/15/39/1037721539.db2.gz UEZXXKIYJQARKM-SFHVURJKSA-N 1 2 346.814 3.994 20 5 EHBDLO CN(C)c1ccc(Nc2ccc(Br)cc2[N+](=O)[O-])c[nH+]1 ZINC000110455278 1041053270 /nfs/dbraw/zinc/05/32/70/1041053270.db2.gz PGVMTNGRTVKRBS-UHFFFAOYSA-N 1 2 337.177 3.562 20 5 EHBDLO CC(=O)c1c(NCc2ccc(-n3cc[nH+]c3)cc2)cccc1[N+](=O)[O-] ZINC000763203118 1121869779 /nfs/dbraw/zinc/86/97/79/1121869779.db2.gz KUPNAGIKCXDMQU-UHFFFAOYSA-N 1 2 336.351 3.595 20 5 EHBDLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000734862585 1131288202 /nfs/dbraw/zinc/28/82/02/1131288202.db2.gz MCMSATLODPNKPN-UHFFFAOYSA-N 1 2 342.742 3.891 20 5 EHBDLO CC(C)(C)CC(C)(C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000069742397 1125032025 /nfs/dbraw/zinc/03/20/25/1125032025.db2.gz IWNCNNQWFUFJMR-UHFFFAOYSA-N 1 2 344.415 3.725 20 5 EHBDLO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000735491067 1131349882 /nfs/dbraw/zinc/34/98/82/1131349882.db2.gz CGBPPNLWFODKSI-UHFFFAOYSA-N 1 2 348.786 3.999 20 5 EHBDLO CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000735491067 1131349887 /nfs/dbraw/zinc/34/98/87/1131349887.db2.gz CGBPPNLWFODKSI-UHFFFAOYSA-N 1 2 348.786 3.999 20 5 EHBDLO COc1ccc2c(c1)OCC[N@H+]([C@H](C)c1cc([N+](=O)[O-])ccc1C)C2 ZINC000619810764 1125414645 /nfs/dbraw/zinc/41/46/45/1125414645.db2.gz VILLABDKYUPMQA-CQSZACIVSA-N 1 2 342.395 3.867 20 5 EHBDLO COc1ccc2c(c1)OCC[N@@H+]([C@H](C)c1cc([N+](=O)[O-])ccc1C)C2 ZINC000619810764 1125414648 /nfs/dbraw/zinc/41/46/48/1125414648.db2.gz VILLABDKYUPMQA-CQSZACIVSA-N 1 2 342.395 3.867 20 5 EHBDLO COc1ccc2c(c1)OCC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000619846368 1125416407 /nfs/dbraw/zinc/41/64/07/1125416407.db2.gz NGIIDTCVYNTWLW-XQRVVYSFSA-N 1 2 340.379 3.511 20 5 EHBDLO COc1ccc2c(c1)OCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000619846368 1125416409 /nfs/dbraw/zinc/41/64/09/1125416409.db2.gz NGIIDTCVYNTWLW-XQRVVYSFSA-N 1 2 340.379 3.511 20 5 EHBDLO COc1cc(NCc2ccc(-n3cc[nH+]c3)cc2)c(F)cc1[N+](=O)[O-] ZINC000301889064 1129261704 /nfs/dbraw/zinc/26/17/04/1129261704.db2.gz QGLWVGUBSLRYLO-UHFFFAOYSA-N 1 2 342.330 3.540 20 5 EHBDLO C[C@@H]1[C@H](C)SCC[N@@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000735668834 1131372020 /nfs/dbraw/zinc/37/20/20/1131372020.db2.gz ZPQCXPHJLVZDKB-ZJUUUORDSA-N 1 2 339.442 3.655 20 5 EHBDLO C[C@@H]1[C@H](C)SCC[N@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000735668834 1131372027 /nfs/dbraw/zinc/37/20/27/1131372027.db2.gz ZPQCXPHJLVZDKB-ZJUUUORDSA-N 1 2 339.442 3.655 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000081574667 1129429206 /nfs/dbraw/zinc/42/92/06/1129429206.db2.gz XCOIRLPZFSWKNE-AUUYWEPGSA-N 1 2 339.395 3.535 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000081574667 1129429209 /nfs/dbraw/zinc/42/92/09/1129429209.db2.gz XCOIRLPZFSWKNE-AUUYWEPGSA-N 1 2 339.395 3.535 20 5 EHBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000301985155 1129486093 /nfs/dbraw/zinc/48/60/93/1129486093.db2.gz JLSKGASJSVJPEI-UHFFFAOYSA-N 1 2 340.427 3.733 20 5 EHBDLO C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC000245442882 1130208759 /nfs/dbraw/zinc/20/87/59/1130208759.db2.gz IIQKRALGGOGSJY-CZUORRHYSA-N 1 2 343.383 3.600 20 5 EHBDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC000245442882 1130208764 /nfs/dbraw/zinc/20/87/64/1130208764.db2.gz IIQKRALGGOGSJY-CZUORRHYSA-N 1 2 343.383 3.600 20 5 EHBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1nc2c(s1)CCCC2 ZINC000741159195 1131581730 /nfs/dbraw/zinc/58/17/30/1131581730.db2.gz DXDFXWQVRDQUDQ-UHFFFAOYSA-N 1 2 347.440 3.619 20 5 EHBDLO COc1cc(Nc2ccc3[nH+]c4ccccc4cc3c2)c(OC)nn1 ZINC001174353061 1132311350 /nfs/dbraw/zinc/31/13/50/1132311350.db2.gz FAXFMMXEZHVCMR-UHFFFAOYSA-N 1 2 332.363 3.939 20 5 EHBDLO C[C@@H]([NH2+]Cc1c(F)cc(F)c(F)c1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788800006 1134171418 /nfs/dbraw/zinc/17/14/18/1134171418.db2.gz TYEJANOBWFIDKP-SSDOTTSWSA-N 1 2 343.280 3.584 20 5 EHBDLO CC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1OC ZINC000775075696 1134282105 /nfs/dbraw/zinc/28/21/05/1134282105.db2.gz BIKSNGZPYPTTFJ-CQSZACIVSA-N 1 2 341.367 3.986 20 5 EHBDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccc([N+](=O)[O-])s1 ZINC000791258870 1134522766 /nfs/dbraw/zinc/52/27/66/1134522766.db2.gz JFMUDBAZIYWAPO-UHFFFAOYSA-N 1 2 343.364 3.507 20 5 EHBDLO Cn1cc(C[N@H+](Cc2ccccc2Cl)C2CCCC2)c([N+](=O)[O-])n1 ZINC001190904793 1134768174 /nfs/dbraw/zinc/76/81/74/1134768174.db2.gz RVNQDPDXMXNMGT-UHFFFAOYSA-N 1 2 348.834 3.927 20 5 EHBDLO Cn1cc(C[N@@H+](Cc2ccccc2Cl)C2CCCC2)c([N+](=O)[O-])n1 ZINC001190904793 1134768178 /nfs/dbraw/zinc/76/81/78/1134768178.db2.gz RVNQDPDXMXNMGT-UHFFFAOYSA-N 1 2 348.834 3.927 20 5 EHBDLO CC[N@H+](C)[C@H](C(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000775482150 1134923438 /nfs/dbraw/zinc/92/34/38/1134923438.db2.gz SZUHCSMSZVZPGH-KSSFIOAISA-N 1 2 342.395 3.892 20 5 EHBDLO CC[N@@H+](C)[C@H](C(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000775482150 1134923445 /nfs/dbraw/zinc/92/34/45/1134923445.db2.gz SZUHCSMSZVZPGH-KSSFIOAISA-N 1 2 342.395 3.892 20 5 EHBDLO Cc1cc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(C)[nH+]1 ZINC001129858168 1135173066 /nfs/dbraw/zinc/17/30/66/1135173066.db2.gz IUAOLRXLMMBYSO-UHFFFAOYSA-N 1 2 341.392 3.751 20 5 EHBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC000810093347 1135921159 /nfs/dbraw/zinc/92/11/59/1135921159.db2.gz MTYSBTGODGYVEM-JKSUJKDBSA-N 1 2 336.819 3.782 20 5 EHBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC000810093347 1135921162 /nfs/dbraw/zinc/92/11/62/1135921162.db2.gz MTYSBTGODGYVEM-JKSUJKDBSA-N 1 2 336.819 3.782 20 5 EHBDLO C[C@@]12CC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C[C@@H]1C2(Cl)Cl ZINC000852023123 1136427705 /nfs/dbraw/zinc/42/77/05/1136427705.db2.gz WIMMWRUKQKORHP-QWHCGFSZSA-N 1 2 333.190 3.750 20 5 EHBDLO C[C@@]12CC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C[C@@H]1C2(Cl)Cl ZINC000852023123 1136427709 /nfs/dbraw/zinc/42/77/09/1136427709.db2.gz WIMMWRUKQKORHP-QWHCGFSZSA-N 1 2 333.190 3.750 20 5 EHBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCOCC3(CCC3)C2)c1 ZINC000339088847 1137437277 /nfs/dbraw/zinc/43/72/77/1137437277.db2.gz UCGBEANMSOFMDK-UHFFFAOYSA-N 1 2 344.333 3.616 20 5 EHBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCOCC3(CCC3)C2)c1 ZINC000339088847 1137437279 /nfs/dbraw/zinc/43/72/79/1137437279.db2.gz UCGBEANMSOFMDK-UHFFFAOYSA-N 1 2 344.333 3.616 20 5 EHBDLO CCCCn1cc(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])c(C)n1 ZINC000872053242 1137568200 /nfs/dbraw/zinc/56/82/00/1137568200.db2.gz IBQPGBDEBOBUCN-ZDUSSCGKSA-N 1 2 334.395 3.890 20 5 EHBDLO C[N@@H+]1CCCc2cc(NCc3nc4cc([N+](=O)[O-])ccc4o3)ccc21 ZINC000877160089 1137671823 /nfs/dbraw/zinc/67/18/23/1137671823.db2.gz RPJOQNZOXWRGJL-UHFFFAOYSA-N 1 2 338.367 3.731 20 5 EHBDLO C[N@H+]1CCCc2cc(NCc3nc4cc([N+](=O)[O-])ccc4o3)ccc21 ZINC000877160089 1137671824 /nfs/dbraw/zinc/67/18/24/1137671824.db2.gz RPJOQNZOXWRGJL-UHFFFAOYSA-N 1 2 338.367 3.731 20 5 EHBDLO CC[N@H+](Cc1cccs1)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000877904613 1137694979 /nfs/dbraw/zinc/69/49/79/1137694979.db2.gz MWSNXWPBTCZWAB-UHFFFAOYSA-N 1 2 344.396 3.728 20 5 EHBDLO CC[N@@H+](Cc1cccs1)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000877904613 1137694980 /nfs/dbraw/zinc/69/49/80/1137694980.db2.gz MWSNXWPBTCZWAB-UHFFFAOYSA-N 1 2 344.396 3.728 20 5 EHBDLO CC(C)(C)C(C)(C)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001273987652 1137916350 /nfs/dbraw/zinc/91/63/50/1137916350.db2.gz CUKLHZCSEJEMCT-UHFFFAOYSA-N 1 2 344.415 3.583 20 5 EHBDLO CC(C)c1[nH+]c2c(n1C)CCN([C@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC000332616923 1137949139 /nfs/dbraw/zinc/94/91/39/1137949139.db2.gz VWJAKYCGVLFJRQ-CYBMUJFWSA-N 1 2 328.416 3.571 20 5 EHBDLO CSc1ccccc1C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000348331236 1137969807 /nfs/dbraw/zinc/96/98/07/1137969807.db2.gz QWHDYPXWDQCIOA-UHFFFAOYSA-N 1 2 342.424 3.825 20 5 EHBDLO CSc1ccccc1C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000348331236 1137969810 /nfs/dbraw/zinc/96/98/10/1137969810.db2.gz QWHDYPXWDQCIOA-UHFFFAOYSA-N 1 2 342.424 3.825 20 5 EHBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cc(F)ccc1OC ZINC000122425694 1138257896 /nfs/dbraw/zinc/25/78/96/1138257896.db2.gz XYWHHHWXVIAZFT-LLVKDONJSA-N 1 2 334.347 3.602 20 5 EHBDLO CC(C)Oc1cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)ccn1 ZINC000338163661 1138771153 /nfs/dbraw/zinc/77/11/53/1138771153.db2.gz IJVZOKRGRIQFRP-UHFFFAOYSA-N 1 2 341.411 3.942 20 5 EHBDLO CC(C)Oc1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)ccn1 ZINC000338163661 1138771156 /nfs/dbraw/zinc/77/11/56/1138771156.db2.gz IJVZOKRGRIQFRP-UHFFFAOYSA-N 1 2 341.411 3.942 20 5 EHBDLO CC[C@](C)([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])c1nccs1 ZINC000184262345 1140091360 /nfs/dbraw/zinc/09/13/60/1140091360.db2.gz FYESBYVDHMHCCV-HNNXBMFYSA-N 1 2 339.392 3.614 20 5 EHBDLO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3[nH+]c(C)cn3c2)c1 ZINC000339121481 1141502857 /nfs/dbraw/zinc/50/28/57/1141502857.db2.gz XWMXTYQSLKMNHL-UHFFFAOYSA-N 1 2 342.380 3.525 20 5 EHBDLO Cc1[nH+]c2ccccc2n1CCCNc1ccc(F)cc1[N+](=O)[O-] ZINC000068836957 215340053 /nfs/dbraw/zinc/34/00/53/215340053.db2.gz GORXKTYLUJXMKC-UHFFFAOYSA-N 1 2 328.347 3.894 20 5 EHBDLO CSc1cccc([C@@H]([NH2+]CC[N+](=O)[O-])c2ccc(F)c(F)c2)c1 ZINC000905134035 1032359787 /nfs/dbraw/zinc/35/97/87/1032359787.db2.gz IOMIFDDVOGSEIX-MRXNPFEDSA-N 1 2 338.379 3.642 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000086235245 1019084431 /nfs/dbraw/zinc/08/44/31/1019084431.db2.gz CSPJDDQNDHRQQB-ZDUSSCGKSA-N 1 2 343.383 3.660 20 5 EHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000086235245 1019084447 /nfs/dbraw/zinc/08/44/47/1019084447.db2.gz CSPJDDQNDHRQQB-ZDUSSCGKSA-N 1 2 343.383 3.660 20 5 EHBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(C(F)F)CC2)ccc1Br ZINC000307886923 1020559751 /nfs/dbraw/zinc/55/97/51/1020559751.db2.gz WAOLQHPWNFHSJE-UHFFFAOYSA-N 1 2 349.175 3.834 20 5 EHBDLO O=[N+]([O-])c1ccc2nc(Nc3ccc(N4CCCCC4)[nH+]c3)ccc2c1 ZINC000507609213 1021397090 /nfs/dbraw/zinc/39/70/90/1021397090.db2.gz YGWOGEXCOUHGLI-UHFFFAOYSA-N 1 2 349.394 3.694 20 5 EHBDLO CCc1noc(C)c1C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602675075 1033051657 /nfs/dbraw/zinc/05/16/57/1033051657.db2.gz JTHAWXJDPAMKMO-UHFFFAOYSA-N 1 2 343.305 3.762 20 5 EHBDLO COc1ccc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000506434423 1023131834 /nfs/dbraw/zinc/13/18/34/1023131834.db2.gz SNAPXAQFHRFXIP-QGZVFWFLSA-N 1 2 344.436 3.894 20 5 EHBDLO COc1ccc(C[N@H+]2CCSC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000506434423 1023131838 /nfs/dbraw/zinc/13/18/38/1023131838.db2.gz SNAPXAQFHRFXIP-QGZVFWFLSA-N 1 2 344.436 3.894 20 5 EHBDLO Cc1cc(C)c(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000455476104 1028210914 /nfs/dbraw/zinc/21/09/14/1028210914.db2.gz LKVXMUMNAADAGH-LBPRGKRZSA-N 1 2 328.372 3.798 20 5 EHBDLO C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000072905476 1028527423 /nfs/dbraw/zinc/52/74/23/1028527423.db2.gz IIQKRALGGOGSJY-BBRMVZONSA-N 1 2 343.383 3.600 20 5 EHBDLO C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000072905476 1028527442 /nfs/dbraw/zinc/52/74/42/1028527442.db2.gz IIQKRALGGOGSJY-BBRMVZONSA-N 1 2 343.383 3.600 20 5 EHBDLO O=[N+]([O-])c1ccc(SCc2c[nH+]cn2Cc2ccccc2)nc1 ZINC000445591782 1028955318 /nfs/dbraw/zinc/95/53/18/1028955318.db2.gz NCTHTVHLCUZPRL-UHFFFAOYSA-N 1 2 326.381 3.527 20 5 EHBDLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000424329148 1028976878 /nfs/dbraw/zinc/97/68/78/1028976878.db2.gz PGMARQRUDLDJPC-QWRGUYRKSA-N 1 2 349.412 3.558 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H](CC(C)C)n2cc[nH+]c2)n1 ZINC000923888282 1031782832 /nfs/dbraw/zinc/78/28/32/1031782832.db2.gz ZJEXQWJFDRSBDN-HNNXBMFYSA-N 1 2 341.371 3.785 20 5 EHBDLO Cc1noc(C[NH+]2CCC(c3cccc(F)c3F)CC2)c1[N+](=O)[O-] ZINC000595438732 1033802195 /nfs/dbraw/zinc/80/21/95/1033802195.db2.gz AEOIFTFXXCPEPC-UHFFFAOYSA-N 1 2 337.326 3.549 20 5 EHBDLO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H](CCO)c1ccccc1 ZINC000119241717 1034119601 /nfs/dbraw/zinc/11/96/01/1034119601.db2.gz KFDVJVYXXPXYDS-INIZCTEOSA-N 1 2 334.803 3.804 20 5 EHBDLO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H](CCO)c1ccccc1 ZINC000119241717 1034119607 /nfs/dbraw/zinc/11/96/07/1034119607.db2.gz KFDVJVYXXPXYDS-INIZCTEOSA-N 1 2 334.803 3.804 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000612578716 1035074802 /nfs/dbraw/zinc/07/48/02/1035074802.db2.gz AVZPKXZVPSRVSM-HNAYVOBHSA-N 1 2 326.396 3.865 20 5 EHBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000612578716 1035074805 /nfs/dbraw/zinc/07/48/05/1035074805.db2.gz AVZPKXZVPSRVSM-HNAYVOBHSA-N 1 2 326.396 3.865 20 5 EHBDLO Cc1cc(NCCCCn2cc[nH+]c2)c2cccc([N+](=O)[O-])c2n1 ZINC000540905540 1035786641 /nfs/dbraw/zinc/78/66/41/1035786641.db2.gz KSOXOORAIKDWIB-UHFFFAOYSA-N 1 2 325.372 3.540 20 5 EHBDLO Cc1cccn2cc(CCNc3ccnc4c3cccc4[N+](=O)[O-])[nH+]c12 ZINC000590082716 1036735389 /nfs/dbraw/zinc/73/53/89/1036735389.db2.gz AZGIKXIRWLUPPK-UHFFFAOYSA-N 1 2 347.378 3.754 20 5 EHBDLO Cc1cn2c([nH+]1)[C@@H](CNc1ccc([N+](=O)[O-])c3cnccc13)CCC2 ZINC000378227310 1038261035 /nfs/dbraw/zinc/26/10/35/1038261035.db2.gz CGVIJKUSFRTUAO-CYBMUJFWSA-N 1 2 337.383 3.637 20 5 EHBDLO COc1cc(C[N@@H+]2CC[C@](F)(c3ccccc3F)C2)ccc1[N+](=O)[O-] ZINC000549415742 1038454416 /nfs/dbraw/zinc/45/44/16/1038454416.db2.gz PKKLOWZBIVQXQN-GOSISDBHSA-N 1 2 348.349 3.813 20 5 EHBDLO COc1cc(C[N@H+]2CC[C@](F)(c3ccccc3F)C2)ccc1[N+](=O)[O-] ZINC000549415742 1038454421 /nfs/dbraw/zinc/45/44/21/1038454421.db2.gz PKKLOWZBIVQXQN-GOSISDBHSA-N 1 2 348.349 3.813 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000549465330 1039455313 /nfs/dbraw/zinc/45/53/13/1039455313.db2.gz RBIAFQYCDPLWNO-UHFFFAOYSA-N 1 2 348.443 3.862 20 5 EHBDLO CC(C)(C)Oc1cc(NCCNc2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC000485895304 1039662526 /nfs/dbraw/zinc/66/25/26/1039662526.db2.gz KTRZILWOWPJBDG-UHFFFAOYSA-N 1 2 330.388 3.691 20 5 EHBDLO COc1cc(F)c([N+](=O)[O-])c(Oc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000092656025 1040504794 /nfs/dbraw/zinc/50/47/94/1040504794.db2.gz CUFAXHHDZJQFLN-UHFFFAOYSA-N 1 2 329.287 3.721 20 5 EHBDLO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000511862540 1041745730 /nfs/dbraw/zinc/74/57/30/1041745730.db2.gz WIPBVYOBGFRLIM-DNVCBOLYSA-N 1 2 326.396 3.865 20 5 EHBDLO Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000511862540 1041745739 /nfs/dbraw/zinc/74/57/39/1041745739.db2.gz WIPBVYOBGFRLIM-DNVCBOLYSA-N 1 2 326.396 3.865 20 5 EHBDLO CO[C@@H](C)c1nc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000165237776 1042705792 /nfs/dbraw/zinc/70/57/92/1042705792.db2.gz DSLWVYIMPSQHSD-RYUDHWBXSA-N 1 2 335.429 3.918 20 5 EHBDLO COc1ccc(-c2ccc(C[NH2+]Cc3nccs3)o2)c([N+](=O)[O-])c1 ZINC000338709155 1128729661 /nfs/dbraw/zinc/72/96/61/1128729661.db2.gz RWCYRMHEJDQHSH-UHFFFAOYSA-N 1 2 345.380 3.610 20 5 EHBDLO C[N@@H+](Cc1ccc(Cl)c(F)c1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000762502831 1121330283 /nfs/dbraw/zinc/33/02/83/1121330283.db2.gz QEENBSUNABENCY-UHFFFAOYSA-N 1 2 348.765 3.827 20 5 EHBDLO C[N@H+](Cc1ccc(Cl)c(F)c1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000762502831 1121330291 /nfs/dbraw/zinc/33/02/91/1121330291.db2.gz QEENBSUNABENCY-UHFFFAOYSA-N 1 2 348.765 3.827 20 5 EHBDLO Cc1ccc(CNc2cc[nH+]c(OCC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000556276501 1122914465 /nfs/dbraw/zinc/91/44/65/1122914465.db2.gz ZKVICARRGGPUIP-UHFFFAOYSA-N 1 2 341.289 3.851 20 5 EHBDLO C[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccn1 ZINC000172111683 1130106529 /nfs/dbraw/zinc/10/65/29/1130106529.db2.gz QKPLZLYKDUINRT-LBPRGKRZSA-N 1 2 340.408 3.964 20 5 EHBDLO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CC(F)(F)C(F)(F)F)CC2 ZINC001172898672 1131882885 /nfs/dbraw/zinc/88/28/85/1131882885.db2.gz IMYDUEDUKSWLOM-NSHDSACASA-N 1 2 338.276 3.629 20 5 EHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC2(CCCC2)OC[C@@H]1C ZINC001174852597 1132487707 /nfs/dbraw/zinc/48/77/07/1132487707.db2.gz DTJIQGDAGNOZBA-HNNXBMFYSA-N 1 2 348.443 3.916 20 5 EHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC2(CCCC2)OC[C@@H]1C ZINC001174852597 1132487709 /nfs/dbraw/zinc/48/77/09/1132487709.db2.gz DTJIQGDAGNOZBA-HNNXBMFYSA-N 1 2 348.443 3.916 20 5 EHBDLO C[C@@H]([NH2+]Cc1nc2cc(Cl)ccc2n1C)c1ccccc1[N+](=O)[O-] ZINC001175898462 1132783271 /nfs/dbraw/zinc/78/32/71/1132783271.db2.gz QHTABQNTNPYZRF-LLVKDONJSA-N 1 2 344.802 3.986 20 5 EHBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2ccc3c(n2)CCCC3)c1 ZINC000767729342 1133043833 /nfs/dbraw/zinc/04/38/33/1133043833.db2.gz UFWIYBZXEPCCEE-UHFFFAOYSA-N 1 2 331.803 3.812 20 5 EHBDLO O=[N+]([O-])c1ccc(OC2C[NH+](CCSCc3ccccc3)C2)cc1 ZINC001182227576 1133592675 /nfs/dbraw/zinc/59/26/75/1133592675.db2.gz RMOYLFJLPFUCHI-UHFFFAOYSA-N 1 2 344.436 3.591 20 5 EHBDLO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1nc2ccccc2n1C ZINC000774466799 1133684258 /nfs/dbraw/zinc/68/42/58/1133684258.db2.gz YLXRBWWDUFEWDF-LLVKDONJSA-N 1 2 344.802 3.986 20 5 EHBDLO Cc1c(C[NH2+]Cc2csc(-c3ccco3)n2)cccc1[N+](=O)[O-] ZINC000790995719 1134490200 /nfs/dbraw/zinc/49/02/00/1134490200.db2.gz CDQRSGGQNWSMMQ-UHFFFAOYSA-N 1 2 329.381 3.910 20 5 EHBDLO CC(C)(C)c1ccc(NC(=O)c2cccc3[nH+]ccn32)cc1[N+](=O)[O-] ZINC000791440651 1134550500 /nfs/dbraw/zinc/55/05/00/1134550500.db2.gz ZUQBFMDLHCLZFZ-UHFFFAOYSA-N 1 2 338.367 3.792 20 5 EHBDLO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000859399197 1137013613 /nfs/dbraw/zinc/01/36/13/1137013613.db2.gz WGMUOWXCOSBPFD-UHFFFAOYSA-N 1 2 348.349 3.916 20 5 EHBDLO Cc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(C)c2)ccc1[N+](=O)[O-] ZINC001136625136 1137073124 /nfs/dbraw/zinc/07/31/24/1137073124.db2.gz ZDRCFBDBRSIBAD-UHFFFAOYSA-N 1 2 336.351 3.650 20 5 EHBDLO C[C@@H](O)[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1F ZINC000846018993 1137326467 /nfs/dbraw/zinc/32/64/67/1137326467.db2.gz XDYKFJUWAUJHFA-HWPZZCPQSA-N 1 2 338.766 3.599 20 5 EHBDLO CC(C)[N@H+](Cc1nc2c(o1)CCCC2)Cc1ccc([N+](=O)[O-])cc1 ZINC000877992818 1137698751 /nfs/dbraw/zinc/69/87/51/1137698751.db2.gz QWHIXICNQDWUEW-UHFFFAOYSA-N 1 2 329.400 3.872 20 5 EHBDLO CC(C)[N@@H+](Cc1nc2c(o1)CCCC2)Cc1ccc([N+](=O)[O-])cc1 ZINC000877992818 1137698752 /nfs/dbraw/zinc/69/87/52/1137698752.db2.gz QWHIXICNQDWUEW-UHFFFAOYSA-N 1 2 329.400 3.872 20 5 EHBDLO Cc1cncc([C@@H]2CCC[N@@H+]2Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000879749522 1137757950 /nfs/dbraw/zinc/75/79/50/1137757950.db2.gz JPBBRLJLPMJQQA-KRWDZBQOSA-N 1 2 337.383 3.512 20 5 EHBDLO Cc1cncc([C@@H]2CCC[N@H+]2Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000879749522 1137757951 /nfs/dbraw/zinc/75/79/51/1137757951.db2.gz JPBBRLJLPMJQQA-KRWDZBQOSA-N 1 2 337.383 3.512 20 5 EHBDLO COc1cc(C[N@H+](C)[C@H](C)c2cccc(O)c2)c([N+](=O)[O-])cc1F ZINC000184257383 1140090367 /nfs/dbraw/zinc/09/03/67/1140090367.db2.gz KQQINJQJBWXJBC-LLVKDONJSA-N 1 2 334.347 3.641 20 5 EHBDLO COc1cc(C[N@@H+](C)[C@H](C)c2cccc(O)c2)c([N+](=O)[O-])cc1F ZINC000184257383 1140090372 /nfs/dbraw/zinc/09/03/72/1140090372.db2.gz KQQINJQJBWXJBC-LLVKDONJSA-N 1 2 334.347 3.641 20 5 EHBDLO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2nnc(C(C)C)[nH]2)cc1[N+](=O)[O-] ZINC000271451672 1141370642 /nfs/dbraw/zinc/37/06/42/1141370642.db2.gz GHGBXGWLYWWOCV-RYUDHWBXSA-N 1 2 347.419 3.647 20 5 EHBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000339125827 1141504073 /nfs/dbraw/zinc/50/40/73/1141504073.db2.gz YEZBELUWKXEAKN-DOTOQJQBSA-N 1 2 348.786 3.574 20 5 EHBDLO